smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O[C@H](C)CCC[NH2+]C(C)(C)C)c(Br)c1 ZINC000052692932 214140051 /nfs/dbraw/zinc/14/00/51/214140051.db2.gz PTZTUYQVIQRBEO-CYBMUJFWSA-N 1 0 328.294 4.693 10 0 EJAERO CC[NH2+]C[C@@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052977995 214158794 /nfs/dbraw/zinc/15/87/94/214158794.db2.gz QNIBNPCBWAEHMH-CQSZACIVSA-N 1 0 338.314 4.522 10 0 EJAERO CC[NH2+][C@H](C)c1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000052924488 214155465 /nfs/dbraw/zinc/15/54/65/214155465.db2.gz UBRRNQKEBUFEGV-MRVPVSSYSA-N 1 0 330.172 4.658 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Br)cc1F)c1ccsc1 ZINC000053822922 214200786 /nfs/dbraw/zinc/20/07/86/214200786.db2.gz DIWHMYDTMIBVLJ-CQSZACIVSA-N 1 0 328.250 4.543 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000054440487 214239160 /nfs/dbraw/zinc/23/91/60/214239160.db2.gz BTDHMUKQGTYVEC-HNNXBMFYSA-N 1 0 332.266 4.906 10 0 EJAERO Cc1cccc(CS[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000054965576 214260384 /nfs/dbraw/zinc/26/03/84/214260384.db2.gz ILEFHDYUVLVVDS-MRXNPFEDSA-N 1 0 336.298 4.691 10 0 EJAERO Cc1ccc([C@H](Sc2cccc(Br)c2)[C@@H](C)[NH3+])s1 ZINC000055307548 214303711 /nfs/dbraw/zinc/30/37/11/214303711.db2.gz FRCLOWGFKHTPFE-QMTHXVAHSA-N 1 0 342.327 5.000 10 0 EJAERO Cc1ccsc1[C@@H](Sc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000055307249 214303865 /nfs/dbraw/zinc/30/38/65/214303865.db2.gz JIBUUBQIOSAGJJ-HZMBPMFUSA-N 1 0 342.327 5.000 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccc(F)cc1 ZINC000055307506 214303895 /nfs/dbraw/zinc/30/38/95/214303895.db2.gz QNBRSHLWGVQRFI-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccc(F)cc1 ZINC000055307510 214304024 /nfs/dbraw/zinc/30/40/24/214304024.db2.gz QNBRSHLWGVQRFI-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccc([C@H](Sc2cccc(Br)c2)[C@H](C)[NH3+])o1 ZINC000055307293 214304153 /nfs/dbraw/zinc/30/41/53/214304153.db2.gz UNUFRNPPSNVLSI-IINYFYTJSA-N 1 0 326.259 4.531 10 0 EJAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049515584 214014063 /nfs/dbraw/zinc/01/40/63/214014063.db2.gz ACDIVWWBTZHFHQ-GXSJLCMTSA-N 1 0 325.275 4.626 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1Cl)c1cccs1 ZINC000043110500 213562266 /nfs/dbraw/zinc/56/22/66/213562266.db2.gz APFAHBZJKLDOLQ-AMIZOPFISA-N 1 0 346.677 4.631 10 0 EJAERO CC[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959321 213546275 /nfs/dbraw/zinc/54/62/75/213546275.db2.gz CAZXOAGUWUJMCV-HUUCEWRRSA-N 1 0 340.286 4.754 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000103934121 219330433 /nfs/dbraw/zinc/33/04/33/219330433.db2.gz NQLPOKWYEAFSLP-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(Br)s1)c1cccc(F)c1 ZINC000103932310 219330543 /nfs/dbraw/zinc/33/05/43/219330543.db2.gz DBBZBDBOESNNQD-AWEZNQCLSA-N 1 0 342.277 4.933 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Br)s1)c1cc(F)ccc1C ZINC000103939684 219330913 /nfs/dbraw/zinc/33/09/13/219330913.db2.gz SUHJPAAUVWOVHR-CQSZACIVSA-N 1 0 342.277 4.851 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000103940686 219331168 /nfs/dbraw/zinc/33/11/68/219331168.db2.gz JFUZLYKHBHNAKP-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[C@]([NH3+])(Cc1ccc(F)c(Br)c1)c1ccccc1Cl ZINC000103939348 219331452 /nfs/dbraw/zinc/33/14/52/219331452.db2.gz FYQIHALONMCEBV-HNNXBMFYSA-N 1 0 342.639 4.658 10 0 EJAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])Cc1ccc(Br)s1 ZINC000103947992 219332295 /nfs/dbraw/zinc/33/22/95/219332295.db2.gz JKBQSRILIHZBDY-WFASDCNBSA-N 1 0 330.335 4.987 10 0 EJAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Br)s1 ZINC000103999658 219337169 /nfs/dbraw/zinc/33/71/69/219337169.db2.gz XHTCHNZDBTTXMO-CYBMUJFWSA-N 1 0 342.277 4.933 10 0 EJAERO CCCC1CCC([NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000103994104 219337197 /nfs/dbraw/zinc/33/71/97/219337197.db2.gz PITJJMKHZQEQCN-UHFFFAOYSA-N 1 0 326.278 4.603 10 0 EJAERO CCC[C@H](C[NH2+]CC(C)C)Cc1cc(F)ccc1Br ZINC000104007364 219338390 /nfs/dbraw/zinc/33/83/90/219338390.db2.gz XVOMENYOOQFBHU-ZDUSSCGKSA-N 1 0 330.285 4.793 10 0 EJAERO CC[C@](C)(C[NH2+]C(C)(C)C)Cc1ccc(Br)cc1F ZINC000104012602 219338733 /nfs/dbraw/zinc/33/87/33/219338733.db2.gz DAXUNZYAYXIQQZ-INIZCTEOSA-N 1 0 330.285 4.935 10 0 EJAERO CCCC[NH2+]C[C@H](C)Oc1c(C)cc(Br)cc1Cl ZINC000104013092 219339174 /nfs/dbraw/zinc/33/91/74/219339174.db2.gz WLYDITKGBCHNHI-NSHDSACASA-N 1 0 334.685 4.568 10 0 EJAERO CCCCCO[C@H](C[NH2+]C(C)C)c1cccc(Br)c1 ZINC000103974267 219334687 /nfs/dbraw/zinc/33/46/87/219334687.db2.gz YYZGTVRKFGMZON-MRXNPFEDSA-N 1 0 328.294 4.695 10 0 EJAERO CCC[C@H](CC)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000103976665 219335272 /nfs/dbraw/zinc/33/52/72/219335272.db2.gz CLHXBBCITYSLNG-ZFWWWQNUSA-N 1 0 326.278 4.831 10 0 EJAERO CC[C@@H]([NH2+]Cc1ccc(O)c(Br)c1)C1CCCCC1 ZINC000103978874 219335289 /nfs/dbraw/zinc/33/52/89/219335289.db2.gz DXPWECZAZBDNPP-OAHLLOKOSA-N 1 0 326.278 4.603 10 0 EJAERO CCC[NH2+][C@@H](Cc1cccs1)c1ccc(Br)c(F)c1 ZINC000104169382 219354929 /nfs/dbraw/zinc/35/49/29/219354929.db2.gz RSDQDMWZHJACDN-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000104175785 219355484 /nfs/dbraw/zinc/35/54/84/219355484.db2.gz VXORGMNITFQEPQ-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1C ZINC000104174584 219355510 /nfs/dbraw/zinc/35/55/10/219355510.db2.gz JCRAFAYLQFQCSF-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO CCC[NH2+][C@H](Cc1ccsc1)c1cc(F)cc(Br)c1 ZINC000104180767 219355733 /nfs/dbraw/zinc/35/57/33/219355733.db2.gz BJBRYNNYPMMWDC-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(F)ccc1Br ZINC000104175734 219355781 /nfs/dbraw/zinc/35/57/81/219355781.db2.gz JFEVQFWUFUCMDJ-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CCC[NH2+][C@H](Cc1ccsc1)c1ccc(F)cc1Br ZINC000104179693 219356052 /nfs/dbraw/zinc/35/60/52/219356052.db2.gz LJUOBCANEFUUHK-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO Cc1cc(Sc2ccccc2Br)ccc1C[C@@H](C)[NH3+] ZINC000104300916 219371971 /nfs/dbraw/zinc/37/19/71/219371971.db2.gz IYMZBBJQYVHYLD-GFCCVEGCSA-N 1 0 336.298 4.798 10 0 EJAERO C[NH2+][C@H](C)c1ccc(C)cc1OCc1ccc(Br)s1 ZINC000104341211 219376748 /nfs/dbraw/zinc/37/67/48/219376748.db2.gz WQWKXCYWMRVBIF-LLVKDONJSA-N 1 0 340.286 4.678 10 0 EJAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000104447037 219387831 /nfs/dbraw/zinc/38/78/31/219387831.db2.gz PMKYJWXSHJSPMA-XHDPSFHLSA-N 1 0 326.278 4.687 10 0 EJAERO CCCc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](CC)CC ZINC000040403521 213298605 /nfs/dbraw/zinc/29/86/05/213298605.db2.gz RZTKOIVNDIWUAO-UHFFFAOYSA-N 1 0 341.421 4.740 10 0 EJAERO CC[NH2+]Cc1c(Oc2ccc(Cl)c(Cl)c2)nc2sccn21 ZINC000038001533 202079778 /nfs/dbraw/zinc/07/97/78/202079778.db2.gz HUDAYQBDANSDEA-UHFFFAOYSA-N 1 0 342.251 4.604 10 0 EJAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1ccc(Br)s1 ZINC000037775895 213167184 /nfs/dbraw/zinc/16/71/84/213167184.db2.gz NBNFGQCKVILNFG-VIFPVBQESA-N 1 0 346.240 4.510 10 0 EJAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1ccc(Br)s1 ZINC000037775896 213166619 /nfs/dbraw/zinc/16/66/19/213166619.db2.gz NBNFGQCKVILNFG-SECBINFHSA-N 1 0 346.240 4.510 10 0 EJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(I)cc1 ZINC000037254540 213136540 /nfs/dbraw/zinc/13/65/40/213136540.db2.gz YYXUXRMNGVZJIZ-XUJVJEKNSA-N 1 0 343.252 4.521 10 0 EJAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(Br)cc1 ZINC000036997616 213129194 /nfs/dbraw/zinc/12/91/94/213129194.db2.gz PBIAHVYVKVTJBT-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO [NH3+][C@H](c1ccc(-c2ccc(F)cc2Br)s1)C1CC1 ZINC000036927954 213125615 /nfs/dbraw/zinc/12/56/15/213125615.db2.gz ZPVXJFRUKCWZQO-AWEZNQCLSA-N 1 0 326.234 4.727 10 0 EJAERO CC1CCC([NH2+]CCSc2ccc(Br)cc2)CC1 ZINC000070137419 215677343 /nfs/dbraw/zinc/67/73/43/215677343.db2.gz YGHKNVCAKIXRGG-UHFFFAOYSA-N 1 0 328.319 4.710 10 0 EJAERO CCC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)C1CCC1 ZINC000035572999 213039333 /nfs/dbraw/zinc/03/93/33/213039333.db2.gz PEMKWDSQZRKHNL-AWEZNQCLSA-N 1 0 346.696 4.952 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1cc(C)sc1C ZINC000035583237 213038551 /nfs/dbraw/zinc/03/85/51/213038551.db2.gz AFIVYLSZKGVPEG-CQSZACIVSA-N 1 0 328.275 4.809 10 0 EJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(Br)cc1F ZINC000035537539 213036711 /nfs/dbraw/zinc/03/67/11/213036711.db2.gz HXLOKPSYSDPWCZ-HNNXBMFYSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CCCCC1 ZINC000035508490 213034340 /nfs/dbraw/zinc/03/43/40/213034340.db2.gz VZTNZMRJNSRJQV-INIZCTEOSA-N 1 0 326.278 4.689 10 0 EJAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CCCCC1 ZINC000035508487 213034194 /nfs/dbraw/zinc/03/41/94/213034194.db2.gz VZTNZMRJNSRJQV-MRXNPFEDSA-N 1 0 326.278 4.689 10 0 EJAERO CC[NH2+][C@@H](CC(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035509837 213033797 /nfs/dbraw/zinc/03/37/97/213033797.db2.gz FUEZETXZGDFJJF-ZDUSSCGKSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(Br)ccc1F ZINC000035497572 213032781 /nfs/dbraw/zinc/03/27/81/213032781.db2.gz FTOLDBPIDLUKFV-AWEZNQCLSA-N 1 0 328.250 4.575 10 0 EJAERO CCc1ccc([C@H]([NH2+]C)c2cc(F)ccc2Br)s1 ZINC000035461121 213030503 /nfs/dbraw/zinc/03/05/03/213030503.db2.gz GWVDDXDLOFACBE-CQSZACIVSA-N 1 0 328.250 4.521 10 0 EJAERO CCc1ccc([C@H]([NH2+]C)c2cc(F)cc(Br)c2)s1 ZINC000035460588 213030104 /nfs/dbraw/zinc/03/01/04/213030104.db2.gz RIRMRVALEKMVGR-CQSZACIVSA-N 1 0 328.250 4.521 10 0 EJAERO COc1ccc([C@@H](C)[NH2+]C2CCCCCC2)cc1Br ZINC000035043935 213005815 /nfs/dbraw/zinc/00/58/15/213005815.db2.gz IISPPNDSNICBMD-GFCCVEGCSA-N 1 0 326.278 4.831 10 0 EJAERO COc1ccc([C@H](C)[NH2+]C2CCCCCC2)cc1Br ZINC000035043932 213005378 /nfs/dbraw/zinc/00/53/78/213005378.db2.gz IISPPNDSNICBMD-LBPRGKRZSA-N 1 0 326.278 4.831 10 0 EJAERO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](CCC(C)C)CC1 ZINC000034682734 212981791 /nfs/dbraw/zinc/98/17/91/212981791.db2.gz ANTMGFOIVSXUQN-UHFFFAOYSA-N 1 0 348.506 4.778 10 0 EJAERO C[NH2+][C@@H](CC(C)(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035458351 213029712 /nfs/dbraw/zinc/02/97/12/213029712.db2.gz XDBDKZNODKSVSB-LBPRGKRZSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035458739 202304075 /nfs/dbraw/zinc/30/40/75/202304075.db2.gz ZOMMCEWILNGLNA-ZDUSSCGKSA-N 1 0 330.678 4.781 10 0 EJAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(Br)cc1F ZINC000035510105 202305495 /nfs/dbraw/zinc/30/54/95/202305495.db2.gz NLUAQVAOJWHAQG-AWEZNQCLSA-N 1 0 328.250 4.657 10 0 EJAERO CCC[NH2+][C@H](c1cccs1)c1cc(F)ccc1Br ZINC000035581298 202307262 /nfs/dbraw/zinc/30/72/62/202307262.db2.gz YTDJLUZCXRTNTI-AWEZNQCLSA-N 1 0 328.250 4.739 10 0 EJAERO CCOC(=O)c1ccc(Nc2cc[nH+]c3cc(OCC)ccc23)cc1 ZINC000072237169 216076187 /nfs/dbraw/zinc/07/61/87/216076187.db2.gz KZXXQIIAAWYQIC-UHFFFAOYSA-N 1 0 336.391 4.554 10 0 EJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000037377876 202339974 /nfs/dbraw/zinc/33/99/74/202339974.db2.gz DQPIXQMLZDAJBJ-ZDUSSCGKSA-N 1 0 349.030 4.943 10 0 EJAERO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(Br)s1 ZINC000038002330 202384532 /nfs/dbraw/zinc/38/45/32/202384532.db2.gz GKPIPGBAYRJXOL-SNVBAGLBSA-N 1 0 328.250 4.543 10 0 EJAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927955 213125766 /nfs/dbraw/zinc/12/57/66/213125766.db2.gz CZXWKPYMCPZXJT-AWEZNQCLSA-N 1 0 328.250 4.973 10 0 EJAERO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(O)cc1 ZINC000038038929 213195917 /nfs/dbraw/zinc/19/59/17/213195917.db2.gz PGPFDFVCDJWFPK-MRXNPFEDSA-N 1 0 338.220 4.535 10 0 EJAERO Fc1cccc(C[n+]2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000226307647 242095969 /nfs/dbraw/zinc/09/59/69/242095969.db2.gz ZBXOCXOQYICZDE-UHFFFAOYSA-N 1 0 339.777 4.623 10 0 EJAERO CCCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000020933147 212189938 /nfs/dbraw/zinc/18/99/38/212189938.db2.gz OLIUHBQFCCXWQV-UHFFFAOYSA-N 1 0 343.511 4.933 10 0 EJAERO [NH3+][C@H](c1csc2ccccc21)c1ccc(F)cc1Br ZINC000020596393 212149616 /nfs/dbraw/zinc/14/96/16/212149616.db2.gz PHARJSHDEGPVBC-HNNXBMFYSA-N 1 0 336.229 4.851 10 0 EJAERO C[C@H]1CCC[C@@H]([NH2+]CCSc2ccc(Br)cc2)C1 ZINC000070137429 203073336 /nfs/dbraw/zinc/07/33/36/203073336.db2.gz LJKNFZWFYSXXDM-GXTWGEPZSA-N 1 0 328.319 4.710 10 0 EJAERO COc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000072113401 203162855 /nfs/dbraw/zinc/16/28/55/203162855.db2.gz USJAPMAPKACCAJ-UHFFFAOYSA-N 1 0 349.499 4.679 10 0 EJAERO NC(=[NH2+])c1ccccc1Oc1ccc2cc(Br)ccc2c1 ZINC000020076412 212099655 /nfs/dbraw/zinc/09/96/55/212099655.db2.gz FYCFMVVOUHVBSY-UHFFFAOYSA-N 1 0 341.208 4.679 10 0 EJAERO Cc1cccc([C@H]([NH3+])c2cc(C(F)(F)F)ccc2Br)c1 ZINC000019971862 212092347 /nfs/dbraw/zinc/09/23/47/212092347.db2.gz HXGPIHKUUOSZTO-AWEZNQCLSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)c1ccc(F)cc1Br ZINC000019968762 212091822 /nfs/dbraw/zinc/09/18/22/212091822.db2.gz CJXDSXWNQFQWLS-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(F)cc1Br ZINC000019873461 212078712 /nfs/dbraw/zinc/07/87/12/212078712.db2.gz NHINFHXIAPQEMK-MRVPVSSYSA-N 1 0 328.156 4.539 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000019804127 212071219 /nfs/dbraw/zinc/07/12/19/212071219.db2.gz URMSKIVZGXOHQB-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000019804122 212070917 /nfs/dbraw/zinc/07/09/17/212070917.db2.gz XSBKAIUFLOHKSO-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1ccccc1Br ZINC000043095771 204209324 /nfs/dbraw/zinc/20/93/24/204209324.db2.gz KSRKMDOSMFUJQF-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C)cc1Br)c1cccs1 ZINC000043110365 204214349 /nfs/dbraw/zinc/21/43/49/204214349.db2.gz WXHKADZMKMZNEU-DOMZBBRYSA-N 1 0 340.286 4.676 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccc(Br)cc1)c1cccc(F)c1 ZINC000042974657 204191134 /nfs/dbraw/zinc/19/11/34/204191134.db2.gz IRVYLKCHMSLYOE-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959327 213545671 /nfs/dbraw/zinc/54/56/71/213545671.db2.gz CAZXOAGUWUJMCV-CABCVRRESA-N 1 0 340.286 4.754 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1Br ZINC000043096142 213560432 /nfs/dbraw/zinc/56/04/32/213560432.db2.gz LRVQFTBSVSHWRQ-CABCVRRESA-N 1 0 340.286 4.754 10 0 EJAERO Cc1c([C@@H](C)[NH2+]Cc2ccncc2)cnn1-c1cccc2ccccc21 ZINC000012320615 211346437 /nfs/dbraw/zinc/34/64/37/211346437.db2.gz ZJYKDFFRKIWKOS-MRXNPFEDSA-N 1 0 342.446 4.580 10 0 EJAERO Cc1c2cc(C[NH2+]C3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000011814967 211249673 /nfs/dbraw/zinc/24/96/73/211249673.db2.gz TWDSBQJKNOTJSJ-UHFFFAOYSA-N 1 0 338.426 4.551 10 0 EJAERO C[C@@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000095938117 218452071 /nfs/dbraw/zinc/45/20/71/218452071.db2.gz DURYFMRYDPSPRK-BZNIZROVSA-N 1 0 338.676 4.776 10 0 EJAERO C[C@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000095938114 218452161 /nfs/dbraw/zinc/45/21/61/218452161.db2.gz DURYFMRYDPSPRK-MEDUHNTESA-N 1 0 338.676 4.776 10 0 EJAERO c1ccc(C[NH+]2CCC(CNc3nsc4ccccc43)CC2)cc1 ZINC000049036529 581091138 /nfs/dbraw/zinc/09/11/38/581091138.db2.gz RTIIFSJFUWPGNM-UHFFFAOYSA-N 1 0 337.492 4.620 10 0 EJAERO CC[NH+](CC)CCCCCOc1ccc(C)cc1Br ZINC000005794530 563550464 /nfs/dbraw/zinc/55/04/64/563550464.db2.gz UBAMJSNRPBXNLH-UHFFFAOYSA-N 1 0 328.294 4.648 10 0 EJAERO CCOc1ccc(C[NH2+]C2CCCCCC2)cc1Br ZINC000010475307 563648412 /nfs/dbraw/zinc/64/84/12/563648412.db2.gz ZOYLDYGHMXAEDB-UHFFFAOYSA-N 1 0 326.278 4.660 10 0 EJAERO CCCCOCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013719705 563716088 /nfs/dbraw/zinc/71/60/88/563716088.db2.gz HHMWSOXQPADNKR-UHFFFAOYSA-N 1 0 345.458 4.701 10 0 EJAERO CC(C)C[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccccn1 ZINC000055368716 563934525 /nfs/dbraw/zinc/93/45/25/563934525.db2.gz UAVPDQNDRDAVPG-GOSISDBHSA-N 1 0 330.497 4.653 10 0 EJAERO Cc1cc(Cl)c(C(C)C)cc1O[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616568945 564177367 /nfs/dbraw/zinc/17/73/67/564177367.db2.gz FYKRYXMUBBNTPX-GFCCVEGCSA-N 1 0 345.739 4.676 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000019519714 212036094 /nfs/dbraw/zinc/03/60/94/212036094.db2.gz ACTJWWSEGLOBSH-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO Brc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019923372 212084837 /nfs/dbraw/zinc/08/48/37/212084837.db2.gz AUWXDFSFCYCOKT-UHFFFAOYSA-N 1 0 345.284 4.526 10 0 EJAERO CC[NH2+][C@H](C)c1cc(Br)ccc1OCc1cccs1 ZINC000052067467 214115064 /nfs/dbraw/zinc/11/50/64/214115064.db2.gz FDLVPNIXDZYMGP-LLVKDONJSA-N 1 0 340.286 4.760 10 0 EJAERO [NH3+]C[C@H](Cc1ccc(Cl)s1)Cc1cccc(Br)c1 ZINC000052948062 214155743 /nfs/dbraw/zinc/15/57/43/214155743.db2.gz QNXNOCUOUBHZDF-NSHDSACASA-N 1 0 344.705 4.524 10 0 EJAERO [NH3+]C[C@H](Cc1ccc(Cl)s1)Cc1ccccc1Br ZINC000052948632 214155999 /nfs/dbraw/zinc/15/59/99/214155999.db2.gz PBUBWQMATYBGGR-JTQLQIEISA-N 1 0 344.705 4.524 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(Br)s1)Cc1ccccc1 ZINC000053821295 214200345 /nfs/dbraw/zinc/20/03/45/214200345.db2.gz GSLDIWMOVOFOPN-CQSZACIVSA-N 1 0 338.314 4.664 10 0 EJAERO CC[NH2+][C@H](Cc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000053823246 214200794 /nfs/dbraw/zinc/20/07/94/214200794.db2.gz QRTHNNSUUMVIQV-CQSZACIVSA-N 1 0 346.240 4.682 10 0 EJAERO COc1ccc2c(Nc3cccc(Br)c3)cc[nH+]c2c1 ZINC000054202348 214223068 /nfs/dbraw/zinc/22/30/68/214223068.db2.gz AWMRMTRYMKOXNY-UHFFFAOYSA-N 1 0 329.197 4.750 10 0 EJAERO [NH3+]C[C@H](Sc1cccc(Cl)c1)c1cc(Br)cs1 ZINC000054185440 214223373 /nfs/dbraw/zinc/22/33/73/214223373.db2.gz MQGHPXBCYLKBCY-LBPRGKRZSA-N 1 0 348.718 4.956 10 0 EJAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1ccc(F)cc1Cl ZINC000061846351 214680436 /nfs/dbraw/zinc/68/04/36/214680436.db2.gz RNTPVDXGYHBOCP-AWEZNQCLSA-N 1 0 346.602 4.623 10 0 EJAERO CCOc1cccc(C[NH2+]C(C)(C)CC)c1OCc1ccccc1 ZINC000013724989 201911572 /nfs/dbraw/zinc/91/15/72/201911572.db2.gz SPVZTDQYPWTQPB-UHFFFAOYSA-N 1 0 327.468 4.943 10 0 EJAERO [NH3+]Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000003937464 210094228 /nfs/dbraw/zinc/09/42/28/210094228.db2.gz DHAUOYVZVXMDKW-UHFFFAOYSA-N 1 0 330.840 4.501 10 0 EJAERO CCOc1ccc([C@H]([NH3+])c2cc(Br)ccc2Cl)cc1 ZINC000037287741 201936121 /nfs/dbraw/zinc/93/61/21/201936121.db2.gz ABGYRQDSXNOGEP-HNNXBMFYSA-N 1 0 340.648 4.549 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1ccccc1Cl ZINC000043087119 213557212 /nfs/dbraw/zinc/55/72/12/213557212.db2.gz LYLLWHHJFWPEJU-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000042943633 213542898 /nfs/dbraw/zinc/54/28/98/213542898.db2.gz ISTFOSXTZHGDRH-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000103935218 219330651 /nfs/dbraw/zinc/33/06/51/219330651.db2.gz GCNHKVYVZKFLPV-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000103946676 219331370 /nfs/dbraw/zinc/33/13/70/219331370.db2.gz FQGCGCYRGGIXCH-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000103951522 219331951 /nfs/dbraw/zinc/33/19/51/219331951.db2.gz XNUGXWJZVZDQFW-INIZCTEOSA-N 1 0 338.676 4.996 10 0 EJAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](Cc2sccc2Br)C1 ZINC000103949311 219332232 /nfs/dbraw/zinc/33/22/32/219332232.db2.gz NFYQUOHMHPNMAS-LOWVWBTDSA-N 1 0 330.335 4.843 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1ccc(Cl)cc1F ZINC000103950113 219332352 /nfs/dbraw/zinc/33/23/52/219332352.db2.gz BLGGRBNEOOAVIW-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO Cc1ccc(Oc2ccc(C[NH3+])c(Cl)c2)c(Br)c1 ZINC000103992779 219337190 /nfs/dbraw/zinc/33/71/90/219337190.db2.gz REBGYBJLVKYYHX-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO CCC[NH2+]C[C@@](C)(CCC)Cc1cc(Br)ccc1F ZINC000103996416 219337409 /nfs/dbraw/zinc/33/74/09/219337409.db2.gz OBJIKKKAUCMQLG-INIZCTEOSA-N 1 0 330.285 4.937 10 0 EJAERO CCC(CC)(C[NH2+]C(C)C)Cc1ccc(Br)cc1F ZINC000104004955 219337690 /nfs/dbraw/zinc/33/76/90/219337690.db2.gz UYWRWBHVJYOEKH-UHFFFAOYSA-N 1 0 330.285 4.935 10 0 EJAERO CC[C@@](C)(C[NH2+]CC(C)C)Cc1ccc(F)cc1Br ZINC000104020208 219339994 /nfs/dbraw/zinc/33/99/94/219339994.db2.gz CEHTVHJBTMYGLR-MRXNPFEDSA-N 1 0 330.285 4.793 10 0 EJAERO CC(C)=CCOc1ccc(C[NH2+]CC(C)C)cc1Br ZINC000103971235 219333897 /nfs/dbraw/zinc/33/38/97/219333897.db2.gz AGNKLHCANDIUNM-UHFFFAOYSA-N 1 0 326.278 4.540 10 0 EJAERO CC[C@@H]([NH2+][C@@H]1CCCOc2cc(Br)ccc21)C(C)C ZINC000103969857 219333985 /nfs/dbraw/zinc/33/39/85/219333985.db2.gz HSWCNAYDZCFIAH-HUUCEWRRSA-N 1 0 326.278 4.687 10 0 EJAERO C[NH2+]C[C@@H](CCc1cccs1)Cc1cccc(Br)c1 ZINC000104275606 219368882 /nfs/dbraw/zinc/36/88/82/219368882.db2.gz OLIMTAMZODGSPS-AWEZNQCLSA-N 1 0 338.314 4.522 10 0 EJAERO CC[NH2+][C@@H](c1sccc1Br)c1ccc2c(c1)CCC2 ZINC000104288108 219370263 /nfs/dbraw/zinc/37/02/63/219370263.db2.gz WHAAUJNDVLJRKT-OAHLLOKOSA-N 1 0 336.298 4.698 10 0 EJAERO C[C@H]([NH3+])Cc1ccc(Br)cc1SC1CCCCC1 ZINC000104287855 219370688 /nfs/dbraw/zinc/37/06/88/219370688.db2.gz OENGVZSYCNCTLM-NSHDSACASA-N 1 0 328.319 4.764 10 0 EJAERO CC(C)[NH2+]Cc1ccc(Br)cc1SCc1ccco1 ZINC000104290880 219370745 /nfs/dbraw/zinc/37/07/45/219370745.db2.gz QLTDFLMAEWTRTA-UHFFFAOYSA-N 1 0 340.286 4.832 10 0 EJAERO CC[C@@H]1CCCC[C@H]1Oc1c(Br)cccc1C[NH2+]C ZINC000104429011 219386088 /nfs/dbraw/zinc/38/60/88/219386088.db2.gz QPAHYYCJRIHMMZ-IUODEOHRSA-N 1 0 326.278 4.516 10 0 EJAERO CC[NH2+][C@H](Cc1ccccc1Br)c1cccc(Cl)c1 ZINC000037534099 202007913 /nfs/dbraw/zinc/00/79/13/202007913.db2.gz URTYVTJGCSIGMP-MRXNPFEDSA-N 1 0 338.676 4.996 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000019804119 202021759 /nfs/dbraw/zinc/02/17/59/202021759.db2.gz MFHIVGATYIJDKN-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO CCc1ccc([C@H]([NH3+])c2cc(Br)ccc2Cl)s1 ZINC000037287820 213138936 /nfs/dbraw/zinc/13/89/36/213138936.db2.gz SJPCMQMEXZAJJZ-CYBMUJFWSA-N 1 0 330.678 4.775 10 0 EJAERO CCCCCN(C)c1cc(Br)ccc1C[NH2+]CCC ZINC000037171964 213134566 /nfs/dbraw/zinc/13/45/66/213134566.db2.gz GDKKASFUDWQVSR-UHFFFAOYSA-N 1 0 327.310 4.575 10 0 EJAERO CCC[C@H](C)N(C)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000036791412 213118499 /nfs/dbraw/zinc/11/84/99/213118499.db2.gz CPFHJHJEFMNVRY-ZDUSSCGKSA-N 1 0 327.310 4.572 10 0 EJAERO CCC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)C1CC1 ZINC000035572989 213039081 /nfs/dbraw/zinc/03/90/81/213039081.db2.gz JKLITSHPRXRBIX-ZDUSSCGKSA-N 1 0 332.669 4.562 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(CC)s1 ZINC000035537820 213036702 /nfs/dbraw/zinc/03/67/02/213036702.db2.gz GISBNKOWIQIGFA-HNNXBMFYSA-N 1 0 338.314 4.966 10 0 EJAERO CC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)C1CCC1 ZINC000035509882 213034996 /nfs/dbraw/zinc/03/49/96/213034996.db2.gz CFRKQPXOMVCJAD-CYBMUJFWSA-N 1 0 332.669 4.562 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)ccc1Br ZINC000035498432 213032960 /nfs/dbraw/zinc/03/29/60/213032960.db2.gz RMNSAFJLWYBDMS-GFCCVEGCSA-N 1 0 334.641 4.612 10 0 EJAERO C[NH2+][C@@H](CC1CCCCC1)c1cc(Br)ccc1OC ZINC000035456255 213030664 /nfs/dbraw/zinc/03/06/64/213030664.db2.gz QHHCRUHPBAIQOE-HNNXBMFYSA-N 1 0 326.278 4.689 10 0 EJAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Br)ccc1Cl ZINC000035463557 213030696 /nfs/dbraw/zinc/03/06/96/213030696.db2.gz RMQZOTYEHSYXQO-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO CC(C)[N@H+](Cc1ccc(Br)s1)Cc1cccc(N)c1 ZINC000035365609 213022992 /nfs/dbraw/zinc/02/29/92/213022992.db2.gz NGTGBWVOJVRAKA-UHFFFAOYSA-N 1 0 339.302 4.503 10 0 EJAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC ZINC000035256873 213015382 /nfs/dbraw/zinc/01/53/82/213015382.db2.gz ATNGEWJASJGURP-IUODEOHRSA-N 1 0 326.278 4.516 10 0 EJAERO C[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)C1CCCCC1 ZINC000035458389 213029747 /nfs/dbraw/zinc/02/97/47/213029747.db2.gz RFBUFZARCQPMSO-AWEZNQCLSA-N 1 0 346.696 4.952 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C(CC)CC ZINC000035572595 213039165 /nfs/dbraw/zinc/03/91/65/213039165.db2.gz HZPAGIJWEHCUNL-MRXNPFEDSA-N 1 0 328.294 4.935 10 0 EJAERO CC[NH2+][C@H](c1ccsc1)c1cc(Br)ccc1OCC ZINC000035571109 213039472 /nfs/dbraw/zinc/03/94/72/213039472.db2.gz NTEPCONZPGTGJH-OAHLLOKOSA-N 1 0 340.286 4.608 10 0 EJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000035462736 202304027 /nfs/dbraw/zinc/30/40/27/202304027.db2.gz HLUUBGFLZBTLCG-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(Br)cc2)C1 ZINC000035721978 202309781 /nfs/dbraw/zinc/30/97/81/202309781.db2.gz OMHNDYYQSVAADB-TYNCELHUSA-N 1 0 328.319 4.695 10 0 EJAERO COc1ccc(Nc2nc(Nc3cc[nH+]cc3)nc3ccccc32)cc1 ZINC000072261061 216086163 /nfs/dbraw/zinc/08/61/63/216086163.db2.gz ZCDNHUOHRVGNJY-UHFFFAOYSA-N 1 0 343.390 4.521 10 0 EJAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753036 202330792 /nfs/dbraw/zinc/33/07/92/202330792.db2.gz KPLICNFTMOXMRN-LBPRGKRZSA-N 1 0 328.250 4.987 10 0 EJAERO CCCC[N@@H+]1CC[C@@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073656116 202370025 /nfs/dbraw/zinc/37/00/25/202370025.db2.gz FZAJLDJWUUMANJ-DLBZAZTESA-N 1 0 326.525 4.533 10 0 EJAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)s1 ZINC000037722082 213162951 /nfs/dbraw/zinc/16/29/51/213162951.db2.gz XWGMHFUBPIYNDE-UHFFFAOYSA-N 1 0 336.671 4.789 10 0 EJAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(Br)s1 ZINC000038001649 213185565 /nfs/dbraw/zinc/18/55/65/213185565.db2.gz QSLSRAZIVLSJNI-JTQLQIEISA-N 1 0 328.250 4.543 10 0 EJAERO C[N@@H+]1CCC[C@H]1CCNc1cc(-c2ccccc2F)nc2ccccc21 ZINC000028639824 201388588 /nfs/dbraw/zinc/38/85/88/201388588.db2.gz CZCSWFVUTOONAK-INIZCTEOSA-N 1 0 349.453 4.937 10 0 EJAERO COCC[NH2+]Cc1c2cc(F)ccc2n(C(C)C)c1-c1cccs1 ZINC000049453990 202622745 /nfs/dbraw/zinc/62/27/45/202622745.db2.gz RYVYSFHPUTZRAA-UHFFFAOYSA-N 1 0 346.471 4.826 10 0 EJAERO CCCC[N@@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 ZINC000022924819 212335802 /nfs/dbraw/zinc/33/58/02/212335802.db2.gz OUFQPJNFZFDVCB-UHFFFAOYSA-N 1 0 343.342 4.734 10 0 EJAERO Fc1ccc(C[n+]2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000226307544 242096035 /nfs/dbraw/zinc/09/60/35/242096035.db2.gz SRKDLGWSPMHMDJ-UHFFFAOYSA-N 1 0 339.777 4.623 10 0 EJAERO CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1OCC ZINC000020933566 212189549 /nfs/dbraw/zinc/18/95/49/212189549.db2.gz QBLMXMUTOUHAHM-GOSISDBHSA-N 1 0 341.495 4.985 10 0 EJAERO CCCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000020925608 212188488 /nfs/dbraw/zinc/18/84/88/212188488.db2.gz OHFQNSDWKFHCHS-UHFFFAOYSA-N 1 0 342.870 4.942 10 0 EJAERO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873956 212180293 /nfs/dbraw/zinc/18/02/93/212180293.db2.gz MFOUQBKJGLJEJV-UHFFFAOYSA-N 1 0 327.468 4.862 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1csc2ccccc21 ZINC000020596359 212149551 /nfs/dbraw/zinc/14/95/51/212149551.db2.gz IWLOBHADTYFABY-HNNXBMFYSA-N 1 0 332.266 4.906 10 0 EJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(Br)cc1F ZINC000020474026 212135483 /nfs/dbraw/zinc/13/54/83/212135483.db2.gz QRHNSRSZUIZBGU-MRVPVSSYSA-N 1 0 328.156 4.539 10 0 EJAERO C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]c3ccc(Cl)cc32)C1 ZINC000253495266 244004576 /nfs/dbraw/zinc/00/45/76/244004576.db2.gz SFTOOBDOCMFQDS-CQSZACIVSA-N 1 0 329.875 4.725 10 0 EJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(Br)cc2Cl)cc1 ZINC000020373058 212123499 /nfs/dbraw/zinc/12/34/99/212123499.db2.gz PVLYFRZOTATGOW-VIFPVBQESA-N 1 0 326.621 4.915 10 0 EJAERO Cc1cccc([C@@H]([NH3+])c2cc(C(F)(F)F)ccc2Br)c1 ZINC000019971861 212092888 /nfs/dbraw/zinc/09/28/88/212092888.db2.gz HXGPIHKUUOSZTO-CQSZACIVSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@H](c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971858 212092288 /nfs/dbraw/zinc/09/22/88/212092288.db2.gz REIWOPUUHGHGEB-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO [NH3+][C@@H](c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000019968858 212091727 /nfs/dbraw/zinc/09/17/27/212091727.db2.gz BWFAAXJYEHSIRA-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Br ZINC000019968785 212091553 /nfs/dbraw/zinc/09/15/53/212091553.db2.gz HODPBMZMQAMLIA-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO CC[C@@H]([NH2+]Cc1ccccc1OC)c1ccc(Br)cc1 ZINC000019903247 212081614 /nfs/dbraw/zinc/08/16/14/212081614.db2.gz GNGSVJPEQARXJR-MRXNPFEDSA-N 1 0 334.257 4.699 10 0 EJAERO CC1CCC([NH2+]CCSc2ccccc2Br)CC1 ZINC000103997030 204091564 /nfs/dbraw/zinc/09/15/64/204091564.db2.gz JRCNFSDZPACKSQ-UHFFFAOYSA-N 1 0 328.319 4.710 10 0 EJAERO [NH3+]CCc1ccc(Br)cc1Sc1cccc(Cl)c1 ZINC000104288994 204105024 /nfs/dbraw/zinc/10/50/24/204105024.db2.gz LXJICFYAYYFZIW-UHFFFAOYSA-N 1 0 342.689 4.755 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Br)c1ccccc1F ZINC000043049871 204208879 /nfs/dbraw/zinc/20/88/79/204208879.db2.gz GJNZTTHGBOKPPT-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1ccccc1Br ZINC000043095517 204210471 /nfs/dbraw/zinc/21/04/71/204210471.db2.gz CGJVIGQWVASUPV-LRDDRELGSA-N 1 0 326.278 4.577 10 0 EJAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958507 204183686 /nfs/dbraw/zinc/18/36/86/204183686.db2.gz WOFIXOVVGQLKSL-HUUCEWRRSA-N 1 0 340.286 4.506 10 0 EJAERO [NH3+]C[C@H](Sc1ccccc1Br)c1cccc(Cl)c1 ZINC000043019414 213550351 /nfs/dbraw/zinc/55/03/51/213550351.db2.gz RBRKGZJXUHNTLA-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO Cc1ccccc1[C@H](Sc1ccccc1Br)[C@H](C)[NH3+] ZINC000043041504 213554384 /nfs/dbraw/zinc/55/43/84/213554384.db2.gz LMCCXQJVDJKECE-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(Br)cc1)c1ccccc1F ZINC000043049900 213554987 /nfs/dbraw/zinc/55/49/87/213554987.db2.gz JLAWOPYITYKCLB-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO CC[NH2+][C@H](C)c1cc(Br)ccc1OCC1CCCC1 ZINC000110097038 220016101 /nfs/dbraw/zinc/01/61/01/220016101.db2.gz VVXAPSIRPJFJEJ-GFCCVEGCSA-N 1 0 326.278 4.689 10 0 EJAERO Fc1ccc(OCC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000013730099 211624018 /nfs/dbraw/zinc/62/40/18/211624018.db2.gz DHCOINUZJXKBOU-UHFFFAOYSA-N 1 0 347.861 4.813 10 0 EJAERO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474908 211176374 /nfs/dbraw/zinc/17/63/74/211176374.db2.gz XYWLQSGUVOZGGX-AWEZNQCLSA-N 1 0 333.859 4.816 10 0 EJAERO [NH3+]CCCCc1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000002534032 258049922 /nfs/dbraw/zinc/04/99/22/258049922.db2.gz UITZLNANDMFNMN-UHFFFAOYSA-N 1 0 343.268 4.879 10 0 EJAERO CCc1ccc2oc(-c3cc[n+](Cc4ccccc4F)cc3)nc2c1 ZINC000226307601 535833917 /nfs/dbraw/zinc/83/39/17/535833917.db2.gz IXDGQKHXJFYTDS-UHFFFAOYSA-N 1 0 333.386 4.532 10 0 EJAERO CCOc1ccc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723722 563717696 /nfs/dbraw/zinc/71/76/96/563717696.db2.gz CUXHYSIKOXSKJC-UHFFFAOYSA-N 1 0 338.289 4.828 10 0 EJAERO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000004098875 560196228 /nfs/dbraw/zinc/19/62/28/560196228.db2.gz UJGXCOFZMJCRLN-VBFLNORGSA-N 1 0 345.571 4.876 10 0 in-vitro EJAERO COCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013722585 563717264 /nfs/dbraw/zinc/71/72/64/563717264.db2.gz WDGYOGSCCFKACN-UHFFFAOYSA-N 1 0 349.474 4.853 10 0 EJAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1F ZINC000013724154 563717638 /nfs/dbraw/zinc/71/76/38/563717638.db2.gz BNYRYKFLCCMWIW-UHFFFAOYSA-N 1 0 331.431 4.549 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000013724660 563718058 /nfs/dbraw/zinc/71/80/58/563718058.db2.gz RTMFWJCFJZQASY-UHFFFAOYSA-N 1 0 331.431 4.692 10 0 EJAERO CC[C@@]1([NH+]2CCC(C)(C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265614 563986806 /nfs/dbraw/zinc/98/68/06/563986806.db2.gz NSCDKBBIKBEPFV-HXUWFJFHSA-N 1 0 338.536 4.678 10 0 EJAERO CCCCOCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013719640 564020599 /nfs/dbraw/zinc/02/05/99/564020599.db2.gz QWDHODWLAAJLER-UHFFFAOYSA-N 1 0 327.468 4.562 10 0 EJAERO Cc1cc(C[NH+](C(C)C)C(C)C)c(C)cc1I ZINC000675075961 564050020 /nfs/dbraw/zinc/05/00/20/564050020.db2.gz XSXREOWURRPAHZ-UHFFFAOYSA-N 1 0 345.268 4.527 10 0 EJAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCc1sccc1Br ZINC000050209567 214050606 /nfs/dbraw/zinc/05/06/06/214050606.db2.gz ZTHBRQLKWGWBOQ-MRVPVSSYSA-N 1 0 346.677 4.763 10 0 EJAERO C[C@H]([NH3+])c1cc(Cl)ccc1OCc1sccc1Br ZINC000050209566 214051168 /nfs/dbraw/zinc/05/11/68/214051168.db2.gz ZTHBRQLKWGWBOQ-QMMMGPOBSA-N 1 0 346.677 4.763 10 0 EJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000051631055 214098964 /nfs/dbraw/zinc/09/89/64/214098964.db2.gz PXTVLXDZGDBRTQ-SMDDNHRTSA-N 1 0 336.298 4.719 10 0 EJAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1cccs1 ZINC000053816403 214200423 /nfs/dbraw/zinc/20/04/23/214200423.db2.gz MCXQUINUEPHRBK-GFCCVEGCSA-N 1 0 330.316 4.856 10 0 EJAERO C[NH2+][C@H](Cc1cc(Br)cs1)Cc1cccc(Cl)c1 ZINC000053821051 214200718 /nfs/dbraw/zinc/20/07/18/214200718.db2.gz GLYQPNCIYLOUEP-ZDUSSCGKSA-N 1 0 344.705 4.537 10 0 EJAERO [NH3+]C[C@@H](Sc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000054185373 214223150 /nfs/dbraw/zinc/22/31/50/214223150.db2.gz ZVJKBPNLXUALAJ-CQSZACIVSA-N 1 0 342.689 4.895 10 0 EJAERO CC(C)(C)[NH2+]CC(C)(C)CCOc1cccc(Br)c1 ZINC000054638509 214247519 /nfs/dbraw/zinc/24/75/19/214247519.db2.gz LNISXYXUFNZUOT-UHFFFAOYSA-N 1 0 328.294 4.632 10 0 EJAERO Cc1ccc([C@H](Sc2cccc(Br)c2)[C@@H](C)[NH3+])o1 ZINC000055307289 214304294 /nfs/dbraw/zinc/30/42/94/214304294.db2.gz UNUFRNPPSNVLSI-QMTHXVAHSA-N 1 0 326.259 4.531 10 0 EJAERO C[C@@H]([NH3+])[C@@H](SCc1ccccc1)c1cccc(Br)c1 ZINC000043024234 213553972 /nfs/dbraw/zinc/55/39/72/213553972.db2.gz HVTPGYFKGDAQNT-MLGOLLRUSA-N 1 0 336.298 4.771 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1Br)c1cccc(Cl)c1 ZINC000043018162 213550825 /nfs/dbraw/zinc/55/08/25/213550825.db2.gz MIBWAWVBSDGRSX-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccc([C@H](Sc2ccccc2Br)[C@@H](C)[NH3+])cc1 ZINC000042912253 213541771 /nfs/dbraw/zinc/54/17/71/213541771.db2.gz OLVVPEYRLGQCBA-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)c1ccccc1Cl ZINC000103938229 219330647 /nfs/dbraw/zinc/33/06/47/219330647.db2.gz FZEHPIYPERIBRX-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000103939459 219330784 /nfs/dbraw/zinc/33/07/84/219330784.db2.gz GOJCRQLIVQAURN-AWEZNQCLSA-N 1 0 342.277 4.933 10 0 EJAERO CCCC1CCC([NH3+])(Cc2ccc(Br)cc2F)CC1 ZINC000103941875 219331043 /nfs/dbraw/zinc/33/10/43/219331043.db2.gz KMZMFCBBCRWNGN-UHFFFAOYSA-N 1 0 328.269 4.819 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000103946670 219331065 /nfs/dbraw/zinc/33/10/65/219331065.db2.gz FQGCGCYRGGIXCH-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1 ZINC000103940740 219331204 /nfs/dbraw/zinc/33/12/04/219331204.db2.gz NAFPZSHUEIEBNX-CQSZACIVSA-N 1 0 342.277 4.851 10 0 EJAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000103944685 219331484 /nfs/dbraw/zinc/33/14/84/219331484.db2.gz VXOBSTWUPPMFGL-CYBMUJFWSA-N 1 0 345.067 4.998 10 0 EJAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])Cc1ccc(Br)s1 ZINC000103947998 219331873 /nfs/dbraw/zinc/33/18/73/219331873.db2.gz JKBQSRILIHZBDY-DOMZBBRYSA-N 1 0 330.335 4.987 10 0 EJAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1Cc1cc(Br)cs1 ZINC000103950907 219331968 /nfs/dbraw/zinc/33/19/68/219331968.db2.gz QOEJILZPHLBKDO-LALPHHSUSA-N 1 0 330.335 4.858 10 0 EJAERO C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1Cc1sccc1Br ZINC000103936084 219330232 /nfs/dbraw/zinc/33/02/32/219330232.db2.gz LTQIOFCZVFGGGD-MBNYWOFBSA-N 1 0 330.335 4.713 10 0 EJAERO CCC[NH2+][C@H](CCc1ccc(F)cc1Br)C(C)(C)C ZINC000103934749 219330327 /nfs/dbraw/zinc/33/03/27/219330327.db2.gz JVYYXBCFRJSVEU-OAHLLOKOSA-N 1 0 330.285 4.935 10 0 EJAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Br)C(C)(C)C ZINC000103984265 219335834 /nfs/dbraw/zinc/33/58/34/219335834.db2.gz ADIMBJOHLXHPTH-WCQYABFASA-N 1 0 334.685 4.633 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Br)C(C)(C)C ZINC000103984268 219336401 /nfs/dbraw/zinc/33/64/01/219336401.db2.gz ADIMBJOHLXHPTH-DGCLKSJQSA-N 1 0 334.685 4.633 10 0 EJAERO CCC[NH2+]C[C@H](Oc1ccc(Cl)cc1Br)C(C)C ZINC000104005964 219337895 /nfs/dbraw/zinc/33/78/95/219337895.db2.gz MZUFNJHALFOAHX-AWEZNQCLSA-N 1 0 334.685 4.506 10 0 EJAERO CCC[NH2+][C@H](CC1CC1)c1cc(Cl)cc(Br)c1OC ZINC000104003650 219338261 /nfs/dbraw/zinc/33/82/61/219338261.db2.gz PXUCBAWPRGTRRI-CQSZACIVSA-N 1 0 346.696 4.952 10 0 EJAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Sc1ccccc1Br ZINC000104018758 219339253 /nfs/dbraw/zinc/33/92/53/219339253.db2.gz RUJGCEGSKMGKFF-CQSZACIVSA-N 1 0 330.335 4.954 10 0 EJAERO CCCCCOc1ccc(C[NH2+]C(C)(C)C)cc1Br ZINC000103971230 219333795 /nfs/dbraw/zinc/33/37/95/219333795.db2.gz SOZHELUDLIFRHT-UHFFFAOYSA-N 1 0 328.294 4.906 10 0 EJAERO CC[C@H](C)COc1c(Br)cccc1C[NH2+]C(C)(C)C ZINC000103978267 219334945 /nfs/dbraw/zinc/33/49/45/219334945.db2.gz DUJOZLVBUBUQFY-LBPRGKRZSA-N 1 0 328.294 4.762 10 0 EJAERO CC[C@H](C)COc1c(Br)cccc1C[NH2+]CC(C)C ZINC000103978275 219335543 /nfs/dbraw/zinc/33/55/43/219335543.db2.gz ZBXPUWIMYANXCS-ZDUSSCGKSA-N 1 0 328.294 4.620 10 0 EJAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1ccc(Br)cc1Cl ZINC000104172121 219354576 /nfs/dbraw/zinc/35/45/76/219354576.db2.gz ZEDKRAKJMMHGLL-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO CCCN(CC)c1cc(Br)ccc1C[NH2+]C(C)(C)C ZINC000104163872 219354819 /nfs/dbraw/zinc/35/48/19/219354819.db2.gz AAHKUINEAGSWCN-UHFFFAOYSA-N 1 0 327.310 4.574 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1F ZINC000104175769 219355854 /nfs/dbraw/zinc/35/58/54/219355854.db2.gz LNOWUPDLZHAAQS-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1cc(Br)ccc1Cl ZINC000104175753 219355875 /nfs/dbraw/zinc/35/58/75/219355875.db2.gz JHPXMHHNWRKTGT-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO Cc1cc(Br)ccc1[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000104186399 219357309 /nfs/dbraw/zinc/35/73/09/219357309.db2.gz OPZYTMOUZFPNLQ-HNNXBMFYSA-N 1 0 342.639 4.793 10 0 EJAERO C[NH2+]C[C@H](CCc1cccs1)Cc1ccccc1Br ZINC000104275619 219369594 /nfs/dbraw/zinc/36/95/94/219369594.db2.gz LFNOTHGLMYLBJM-CYBMUJFWSA-N 1 0 338.314 4.522 10 0 EJAERO C[C@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC000104293899 219370785 /nfs/dbraw/zinc/37/07/85/219370785.db2.gz GVKXMRDGPKROPH-JTQLQIEISA-N 1 0 340.648 4.785 10 0 EJAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccc(Br)cc1Cl ZINC000104296343 219372004 /nfs/dbraw/zinc/37/20/04/219372004.db2.gz VNKYCZYCYKYJRY-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1Oc1ccccc1Br ZINC000104302146 219373117 /nfs/dbraw/zinc/37/31/17/219373117.db2.gz QPPOFDZSDKIQJS-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO C[C@H]([NH3+])Cc1c(Cl)cccc1Oc1ccccc1Br ZINC000104302143 219372365 /nfs/dbraw/zinc/37/23/65/219372365.db2.gz QPPOFDZSDKIQJS-JTQLQIEISA-N 1 0 340.648 4.785 10 0 EJAERO Cc1ccccc1CSc1cc(Br)ccc1CC[NH3+] ZINC000104439724 219387094 /nfs/dbraw/zinc/38/70/94/219387094.db2.gz UMMGKMDQRXBGRG-UHFFFAOYSA-N 1 0 336.298 4.551 10 0 EJAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(OC)c(Br)c1 ZINC000104441603 219387770 /nfs/dbraw/zinc/38/77/70/219387770.db2.gz NWGPOPQEJUGMGX-SMDDNHRTSA-N 1 0 328.294 4.791 10 0 EJAERO Cc1cc(NCCCOC(C)C)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570970 213351964 /nfs/dbraw/zinc/35/19/64/213351964.db2.gz OQKCOZLSYVEUKT-UHFFFAOYSA-N 1 0 326.362 4.789 10 0 EJAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040405562 213298925 /nfs/dbraw/zinc/29/89/25/213298925.db2.gz APDQHJUVCLVQKM-UHFFFAOYSA-N 1 0 341.886 4.622 10 0 EJAERO [NH3+][C@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 ZINC000039941594 213243453 /nfs/dbraw/zinc/24/34/53/213243453.db2.gz ZDKSNLZNQHRIIC-AWEZNQCLSA-N 1 0 327.642 4.667 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000019804245 202022705 /nfs/dbraw/zinc/02/27/05/202022705.db2.gz PRVSKLWRLRPCKE-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO Brc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019922524 202026479 /nfs/dbraw/zinc/02/64/79/202026479.db2.gz IQRBWLGWLGLIKO-UHFFFAOYSA-N 1 0 345.284 4.526 10 0 EJAERO Clc1ccc([C@@H]([NH2+]C[C@H]2CCCOC2)c2cccs2)s1 ZINC000038045032 213197563 /nfs/dbraw/zinc/19/75/63/213197563.db2.gz OINVTATVHFOIKV-ABAIWWIYSA-N 1 0 327.902 4.569 10 0 EJAERO [NH3+][C@@H](c1nc2cc(Br)ccc2n1C1CC1)C1CCCCC1 ZINC000038036838 213196012 /nfs/dbraw/zinc/19/60/12/213196012.db2.gz ORBFXARYYAIZSZ-MRXNPFEDSA-N 1 0 348.288 4.714 10 0 EJAERO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OCC ZINC000020933525 202058422 /nfs/dbraw/zinc/05/84/22/202058422.db2.gz SAAHLTRVHOIGDJ-UHFFFAOYSA-N 1 0 347.886 4.860 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1OCC ZINC000020931863 202058733 /nfs/dbraw/zinc/05/87/33/202058733.db2.gz WOXGVDLWCRGISP-UHFFFAOYSA-N 1 0 347.886 4.860 10 0 EJAERO Fc1ccc(Br)c(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000038039094 202091974 /nfs/dbraw/zinc/09/19/74/202091974.db2.gz XWLIFRWCYUWGKD-UHFFFAOYSA-N 1 0 334.232 4.624 10 0 EJAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1cc(Br)cs1 ZINC000037776137 213166808 /nfs/dbraw/zinc/16/68/08/213166808.db2.gz UPOQBTKSLARBPW-VIFPVBQESA-N 1 0 346.240 4.510 10 0 EJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037534012 213154530 /nfs/dbraw/zinc/15/45/30/213154530.db2.gz MYHZDTLCPWOVRQ-INIZCTEOSA-N 1 0 338.676 4.996 10 0 EJAERO COc1ccc([C@@H]([NH3+])CCC2CCCCC2)c(Br)c1 ZINC000037444992 213147712 /nfs/dbraw/zinc/14/77/12/213147712.db2.gz HLUIAUZYDJPWJI-INIZCTEOSA-N 1 0 326.278 4.818 10 0 EJAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(Br)cc1 ZINC000036997617 213128668 /nfs/dbraw/zinc/12/86/68/213128668.db2.gz PBIAHVYVKVTJBT-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccccc1Br ZINC000036936450 213126188 /nfs/dbraw/zinc/12/61/88/213126188.db2.gz WZXAIFGTOYFCJQ-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO Fc1cc(Br)ccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000036668025 213108679 /nfs/dbraw/zinc/10/86/79/213108679.db2.gz DMOWVMNGXUBBJP-UHFFFAOYSA-N 1 0 342.639 4.574 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035539382 213038060 /nfs/dbraw/zinc/03/80/60/213038060.db2.gz HUJCBXZEZSDUCH-OAHLLOKOSA-N 1 0 342.639 4.941 10 0 EJAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(F)cc(Br)c1 ZINC000035497448 213032577 /nfs/dbraw/zinc/03/25/77/213032577.db2.gz LBURCLMNTJMXOS-AWEZNQCLSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(F)cc(Br)c1 ZINC000035497446 213031978 /nfs/dbraw/zinc/03/19/78/213031978.db2.gz LBURCLMNTJMXOS-CQSZACIVSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000035464617 213030644 /nfs/dbraw/zinc/03/06/44/213030644.db2.gz NFNGEDNVIMFKDT-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(Cl)cc1F ZINC000035462609 213030650 /nfs/dbraw/zinc/03/06/50/213030650.db2.gz RTFYWRZPHDKBIC-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CCC[NH2+][C@H](c1ccc(Br)o1)c1cc(C)sc1C ZINC000035583238 213038682 /nfs/dbraw/zinc/03/86/82/213038682.db2.gz AFIVYLSZKGVPEG-AWEZNQCLSA-N 1 0 328.275 4.809 10 0 EJAERO CCC[NH2+][C@@H](c1cccs1)c1cc(F)ccc1Br ZINC000035581297 213039519 /nfs/dbraw/zinc/03/95/19/213039519.db2.gz YTDJLUZCXRTNTI-CQSZACIVSA-N 1 0 328.250 4.739 10 0 EJAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000072141004 216027832 /nfs/dbraw/zinc/02/78/32/216027832.db2.gz KQTMYIZCHCXINZ-BEFAXECRSA-N 1 0 326.440 4.505 10 0 EJAERO CC[NH2+][C@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035545290 202305919 /nfs/dbraw/zinc/30/59/19/202305919.db2.gz RLEPFDIGCVPSBQ-ZDUSSCGKSA-N 1 0 330.678 4.863 10 0 EJAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(Br)cc1F ZINC000035581175 202307407 /nfs/dbraw/zinc/30/74/07/202307407.db2.gz UTTZIBFKTADUSD-CQSZACIVSA-N 1 0 328.250 4.739 10 0 EJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(I)cc1 ZINC000037254544 202337639 /nfs/dbraw/zinc/33/76/39/202337639.db2.gz YYXUXRMNGVZJIZ-TYNCELHUSA-N 1 0 343.252 4.521 10 0 EJAERO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000073654434 202369868 /nfs/dbraw/zinc/36/98/68/202369868.db2.gz VDIUQSCGOUHYCD-PKOBYXMFSA-N 1 0 346.515 4.544 10 0 EJAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000037287726 213138110 /nfs/dbraw/zinc/13/81/10/213138110.db2.gz QHCHEUZVUBNSEA-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037377639 213142696 /nfs/dbraw/zinc/14/26/96/213142696.db2.gz LIOXYDVPMAAGOP-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](CCOc2ccccc2)C1 ZINC000003609308 201360574 /nfs/dbraw/zinc/36/05/74/201360574.db2.gz FYTQTAYCWJNEDW-QFIPXVFZSA-N 1 0 339.479 4.518 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(F)c(Br)c1)c1ccsc1 ZINC000049599362 202625472 /nfs/dbraw/zinc/62/54/72/202625472.db2.gz PVBYYBOHDAVDFQ-AWEZNQCLSA-N 1 0 328.250 4.543 10 0 EJAERO C[C@H](C[NH2+]Cc1cccs1)Sc1ccccc1Br ZINC000053621333 202661616 /nfs/dbraw/zinc/66/16/16/202661616.db2.gz KJUZOELHSUFDPS-LLVKDONJSA-N 1 0 342.327 4.781 10 0 EJAERO C[C@@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023310508 212368161 /nfs/dbraw/zinc/36/81/61/212368161.db2.gz LQELZWQOTKJQRS-ZDUSSCGKSA-N 1 0 337.448 4.605 10 0 EJAERO Fc1ccccc1C[n+]1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226307639 242096063 /nfs/dbraw/zinc/09/60/63/242096063.db2.gz RCSCKCVIBRVNJD-UHFFFAOYSA-N 1 0 339.777 4.623 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4cccc(F)c4)cc3)oc2c(C)c1 ZINC000226307693 242096948 /nfs/dbraw/zinc/09/69/48/242096948.db2.gz GJIRXQUMOKTECD-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO CC[C@H](CO)[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874177 212180855 /nfs/dbraw/zinc/18/08/55/212180855.db2.gz WVUCXMLULYCEKV-HXUWFJFHSA-N 1 0 349.474 4.588 10 0 EJAERO Brc1csc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000020475027 212135415 /nfs/dbraw/zinc/13/54/15/212135415.db2.gz UZPGPXOWCXYHFB-UHFFFAOYSA-N 1 0 326.303 4.569 10 0 EJAERO [NH3+][C@@H](c1ccccc1F)c1cc(C(F)(F)F)ccc1Br ZINC000019971873 212092223 /nfs/dbraw/zinc/09/22/23/212092223.db2.gz NXPAOIYSMQMQNI-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO Cc1ccccc1[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971851 212092257 /nfs/dbraw/zinc/09/22/57/212092257.db2.gz LQIVBPPIOBNNAV-CQSZACIVSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)c1ccc(F)cc1Br ZINC000019968763 212091808 /nfs/dbraw/zinc/09/18/08/212091808.db2.gz CJXDSXWNQFQWLS-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO NC(=[NH2+])c1ccc(Oc2ccc3cc(Br)ccc3c2)cc1 ZINC000019866123 212077232 /nfs/dbraw/zinc/07/72/32/212077232.db2.gz UUEFVLHTQPZJAC-UHFFFAOYSA-N 1 0 341.208 4.679 10 0 EJAERO CC(C)[NH2+]C[C@@H](Oc1ccc(Br)cc1Cl)C(C)C ZINC000104007288 204093695 /nfs/dbraw/zinc/09/36/95/204093695.db2.gz NGRUHWOUWWMRJN-CQSZACIVSA-N 1 0 334.685 4.504 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Br)cc1Cl ZINC000104172117 204098550 /nfs/dbraw/zinc/09/85/50/204098550.db2.gz ZEDKRAKJMMHGLL-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO Cc1ccc(S[C@@H](c2ccccc2Br)[C@H](C)[NH3+])cc1 ZINC000043095763 204209518 /nfs/dbraw/zinc/20/95/18/204209518.db2.gz RPABXXXHSUUPPL-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C)cc1Br)c1cccs1 ZINC000043110369 204214716 /nfs/dbraw/zinc/21/47/16/204214716.db2.gz WXHKADZMKMZNEU-SWLSCSKDSA-N 1 0 340.286 4.676 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000042943636 204182708 /nfs/dbraw/zinc/18/27/08/204182708.db2.gz ISTFOSXTZHGDRH-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000042943634 204183999 /nfs/dbraw/zinc/18/39/99/204183999.db2.gz ISTFOSXTZHGDRH-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000042948117 213544367 /nfs/dbraw/zinc/54/43/67/213544367.db2.gz JTLQECXGQNHXQB-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccccc1[C@H](Sc1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000043041515 213554864 /nfs/dbraw/zinc/55/48/64/213554864.db2.gz MOPLPNFXHMXLDD-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1ccccc1[C@@H](Sc1ccccc1Br)[C@H](C)[NH3+] ZINC000043041507 213555331 /nfs/dbraw/zinc/55/53/31/213555331.db2.gz LMCCXQJVDJKECE-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO CCC[NH2+][C@H](C)[C@H](CC)CCOc1ccc(Br)cc1 ZINC000111726683 220186111 /nfs/dbraw/zinc/18/61/11/220186111.db2.gz ZUOQZMYOJAUTLH-ZIAGYGMSSA-N 1 0 328.294 4.632 10 0 EJAERO CCC[NH2+][C@H](C)[C@@H](CC)CCOc1ccc(Br)cc1 ZINC000111726680 220186634 /nfs/dbraw/zinc/18/66/34/220186634.db2.gz ZUOQZMYOJAUTLH-KGLIPLIRSA-N 1 0 328.294 4.632 10 0 EJAERO CCC[NH2+][C@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052900762 206165076 /nfs/dbraw/zinc/16/50/76/206165076.db2.gz MSBAAMLRVCTUIY-HNNXBMFYSA-N 1 0 338.314 4.664 10 0 EJAERO Cc1cccc(C(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000013684919 211608609 /nfs/dbraw/zinc/60/86/09/211608609.db2.gz GZRCSMMFRAKPDS-IBGZPJMESA-N 1 0 345.870 4.807 10 0 EJAERO CCC(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000004217181 563498036 /nfs/dbraw/zinc/49/80/36/563498036.db2.gz WCDSHELZWCOTMI-UHFFFAOYSA-N 1 0 335.491 4.828 10 0 in-man EJAERO CCOc1c(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)cc1OC ZINC000013726677 563718703 /nfs/dbraw/zinc/71/87/03/563718703.db2.gz GORTZKQEQWCKBU-OAHLLOKOSA-N 1 0 347.886 4.858 10 0 EJAERO OCCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013727186 563719225 /nfs/dbraw/zinc/71/92/25/563719225.db2.gz PINVIEKFKYYPRK-UHFFFAOYSA-N 1 0 328.239 4.506 10 0 EJAERO Clc1ccccc1CN(Cc1ccccc1)C1=[NH+]CCCS1 ZINC000017067935 563832055 /nfs/dbraw/zinc/83/20/55/563832055.db2.gz JFTOAEBBOREVKX-UHFFFAOYSA-N 1 0 330.884 4.835 10 0 EJAERO Fc1ccccc1C[NH2+]Cc1ccc(-c2ccnc3[nH]ccc32)cc1 ZINC000143574007 564001114 /nfs/dbraw/zinc/00/11/14/564001114.db2.gz XUIUXXQVHPEQNM-UHFFFAOYSA-N 1 0 331.394 4.659 10 0 in-vitro EJAERO CCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013717525 564020591 /nfs/dbraw/zinc/02/05/91/564020591.db2.gz QZGYVWVNUADCSN-UHFFFAOYSA-N 1 0 333.859 4.817 10 0 EJAERO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000034659759 564050289 /nfs/dbraw/zinc/05/02/89/564050289.db2.gz MNZXZUAMHXAARI-UHFFFAOYSA-N 1 0 348.284 4.836 10 0 EJAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCc1ccccc1Br ZINC000050209361 214050442 /nfs/dbraw/zinc/05/04/42/214050442.db2.gz WZOGQHKSAAHKPF-SNVBAGLBSA-N 1 0 340.648 4.701 10 0 EJAERO CC[NH2+]C[C@H](Cc1cccs1)Cc1ccccc1Br ZINC000052979893 214158720 /nfs/dbraw/zinc/15/87/20/214158720.db2.gz KBLFBZCVOVITDV-ZDUSSCGKSA-N 1 0 338.314 4.522 10 0 EJAERO C[C@@H](c1cccs1)[N@H+](C)CCNc1ccc(Br)cc1 ZINC000053431827 214182706 /nfs/dbraw/zinc/18/27/06/214182706.db2.gz IWDUNYUMWPURLP-LBPRGKRZSA-N 1 0 339.302 4.616 10 0 EJAERO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874176 212180444 /nfs/dbraw/zinc/18/04/44/212180444.db2.gz WVUCXMLULYCEKV-FQEVSTJZSA-N 1 0 349.474 4.588 10 0 EJAERO COc1ccc2c(Nc3ccc(C(=O)OC(C)C)cc3)cc[nH+]c2c1 ZINC000054202386 214223170 /nfs/dbraw/zinc/22/31/70/214223170.db2.gz UXUDLUCGZFJLRK-UHFFFAOYSA-N 1 0 336.391 4.552 10 0 EJAERO COc1ccc2c(Nc3ccc(Br)cc3F)cc[nH+]c2c1 ZINC000054202390 214223185 /nfs/dbraw/zinc/22/31/85/214223185.db2.gz GCUQGTCNNSYWFG-UHFFFAOYSA-N 1 0 347.187 4.889 10 0 EJAERO COc1ccc2c(Nc3ccccc3Br)cc[nH+]c2c1 ZINC000054202380 214223858 /nfs/dbraw/zinc/22/38/58/214223858.db2.gz WZHXNWRRBQDGKM-UHFFFAOYSA-N 1 0 329.197 4.750 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1cccc(F)c1 ZINC000055307613 214303596 /nfs/dbraw/zinc/30/35/96/214303596.db2.gz GFORSVURXSBSAH-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccsc1[C@H](Sc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000055307246 214303808 /nfs/dbraw/zinc/30/38/08/214303808.db2.gz JIBUUBQIOSAGJJ-IINYFYTJSA-N 1 0 342.327 5.000 10 0 EJAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049515588 214014015 /nfs/dbraw/zinc/01/40/15/214014015.db2.gz ACDIVWWBTZHFHQ-MWLCHTKSSA-N 1 0 325.275 4.626 10 0 EJAERO [NH3+]C[C@@H](Sc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000042959395 213546469 /nfs/dbraw/zinc/54/64/69/213546469.db2.gz QLRDNSIQSTZIFV-CQSZACIVSA-N 1 0 344.224 4.519 10 0 EJAERO Cc1ccc(S[C@H](c2ccc(Br)cc2)[C@H](C)[NH3+])cc1 ZINC000042958759 213545581 /nfs/dbraw/zinc/54/55/81/213545581.db2.gz BPKUTNJOJNASTD-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1ccc([C@H](Sc2ccc(Br)cc2)[C@@H](C)[NH3+])cc1 ZINC000042912268 213541852 /nfs/dbraw/zinc/54/18/52/213541852.db2.gz SSOCXHXFQIZSMS-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO C[C@@]([NH3+])(c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103946190 219330976 /nfs/dbraw/zinc/33/09/76/219330976.db2.gz VUINLPYNKWBZSE-CQSZACIVSA-N 1 0 345.067 4.978 10 0 EJAERO C[C@]([NH3+])(c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000103940525 219331078 /nfs/dbraw/zinc/33/10/78/219331078.db2.gz WDXLQAGFIMAADI-AWEZNQCLSA-N 1 0 345.067 4.978 10 0 EJAERO CC(C)(C)C1CCC([NH3+])(Cc2ccc(Br)s2)CC1 ZINC000103940508 219331164 /nfs/dbraw/zinc/33/11/64/219331164.db2.gz CMXAUJHGOHFMPZ-UHFFFAOYSA-N 1 0 330.335 4.987 10 0 EJAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1ccccc1F ZINC000103936587 219330098 /nfs/dbraw/zinc/33/00/98/219330098.db2.gz HVFSBLHYPBVJEO-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO CCC[NH2+][C@H](Cc1ccc(F)cc1Br)c1ccsc1 ZINC000103932381 219330167 /nfs/dbraw/zinc/33/01/67/219330167.db2.gz AQMXEQFQPVXRGQ-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO C[C@@]([NH3+])(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000103935108 219330364 /nfs/dbraw/zinc/33/03/64/219330364.db2.gz ALBAZLZLZMEBEQ-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO C[C@H]1C[C@@H](O[C@@H](C[NH3+])c2cc(Br)cs2)CC(C)(C)C1 ZINC000103994733 219336717 /nfs/dbraw/zinc/33/67/17/219336717.db2.gz PEZDSFWWFYAKTN-UHTWSYAYSA-N 1 0 346.334 4.742 10 0 EJAERO CC(C)[NH2+]C[C@]1(Cc2cc(Br)cs2)C[C@H]2CC[C@@H]1C2 ZINC000104002289 219337351 /nfs/dbraw/zinc/33/73/51/219337351.db2.gz VHGNYHSZDCKKGQ-WOSRLPQWSA-N 1 0 342.346 4.858 10 0 EJAERO C[C@H]1CCC[C@H]([NH2+]CCSc2cccc(Br)c2)C1 ZINC000104001438 219337357 /nfs/dbraw/zinc/33/73/57/219337357.db2.gz MKRYAPGTLNZQAI-JSGCOSHPSA-N 1 0 328.319 4.710 10 0 EJAERO CCC[C@@H](CCOc1cccc(Br)c1)C[NH2+]C(C)C ZINC000103997722 219337376 /nfs/dbraw/zinc/33/73/76/219337376.db2.gz JRXGYBYHMIRAPK-AWEZNQCLSA-N 1 0 328.294 4.632 10 0 EJAERO CCC[C@H](CCOc1cccc(Br)c1)C[NH2+]C(C)C ZINC000103997727 219337476 /nfs/dbraw/zinc/33/74/76/219337476.db2.gz JRXGYBYHMIRAPK-CQSZACIVSA-N 1 0 328.294 4.632 10 0 EJAERO CC[C@@H](CCOc1cccc(Br)c1)C[NH2+]C(C)(C)C ZINC000104006055 219337804 /nfs/dbraw/zinc/33/78/04/219337804.db2.gz XWFFPNXLRQLCST-ZDUSSCGKSA-N 1 0 328.294 4.632 10 0 EJAERO CCC[C@H](C[NH2+]C(C)(C)C)Cc1cc(Br)ccc1F ZINC000104004736 219337816 /nfs/dbraw/zinc/33/78/16/219337816.db2.gz KMLFTFBMFGBBNZ-LBPRGKRZSA-N 1 0 330.285 4.935 10 0 EJAERO CC[NH2+]CC(CC)(CC)CCOc1ccc(Br)cc1 ZINC000104020166 219340101 /nfs/dbraw/zinc/34/01/01/219340101.db2.gz HQOXNMGUXXPLJA-UHFFFAOYSA-N 1 0 328.294 4.634 10 0 EJAERO CCCCCCO[C@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000103972019 219333970 /nfs/dbraw/zinc/33/39/70/219333970.db2.gz JUZFFIAXYYEDNO-FZMZJTMJSA-N 1 0 334.323 4.886 10 0 EJAERO CC[C@@H](C)COc1c(Br)cccc1C[NH2+]CC(C)C ZINC000103978271 219334862 /nfs/dbraw/zinc/33/48/62/219334862.db2.gz ZBXPUWIMYANXCS-CYBMUJFWSA-N 1 0 328.294 4.620 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)[C@@H](C)CC ZINC000103980428 219335162 /nfs/dbraw/zinc/33/51/62/219335162.db2.gz UXYNFWMYPYBQKL-QWHCGFSZSA-N 1 0 328.294 4.762 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000104172153 219354962 /nfs/dbraw/zinc/35/49/62/219354962.db2.gz RWHNVPFRRCXUHN-INIZCTEOSA-N 1 0 338.676 4.914 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccsc1)c1cc(F)cc(Br)c1 ZINC000104180763 219356048 /nfs/dbraw/zinc/35/60/48/219356048.db2.gz BJBRYNNYPMMWDC-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)c1cc(F)ccc1F ZINC000104242708 219364314 /nfs/dbraw/zinc/36/43/14/219364314.db2.gz SJRAABTWBVBMTR-AWEZNQCLSA-N 1 0 346.240 4.682 10 0 EJAERO CC[NH2+][C@H](CCc1cccs1)Cc1ccccc1Br ZINC000104281466 219369372 /nfs/dbraw/zinc/36/93/72/219369372.db2.gz VXIUZMPUCNZMMA-CQSZACIVSA-N 1 0 338.314 4.664 10 0 EJAERO Cc1ccc(C)c(Sc2cc(Br)ccc2CC[NH3+])c1 ZINC000104298821 219371381 /nfs/dbraw/zinc/37/13/81/219371381.db2.gz GACVURFPDPLSSN-UHFFFAOYSA-N 1 0 336.298 4.718 10 0 EJAERO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743213 213381014 /nfs/dbraw/zinc/38/10/14/213381014.db2.gz HGYDYEKMEKUJFM-UHFFFAOYSA-N 1 0 328.214 4.821 10 0 EJAERO CC[NH+](CC)CCCn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040403512 213298555 /nfs/dbraw/zinc/29/85/55/213298555.db2.gz KSORMSZCZKHYRT-UHFFFAOYSA-N 1 0 341.421 4.910 10 0 EJAERO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc2c(c1)CCC2 ZINC000038039049 213195081 /nfs/dbraw/zinc/19/50/81/213195081.db2.gz BVFRYOGGWZTSKV-LBPRGKRZSA-N 1 0 348.259 4.928 10 0 EJAERO CC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(O)cc1 ZINC000038038928 202092740 /nfs/dbraw/zinc/09/27/40/202092740.db2.gz PGPFDFVCDJWFPK-INIZCTEOSA-N 1 0 338.220 4.535 10 0 EJAERO CC[NH2+][C@@H](Cc1ccccc1Br)c1cccc(Cl)c1 ZINC000037534098 213154136 /nfs/dbraw/zinc/15/41/36/213154136.db2.gz URTYVTJGCSIGMP-INIZCTEOSA-N 1 0 338.676 4.996 10 0 EJAERO CCC[NH2+][C@H](c1ccc(OC)cc1Br)[C@H](C)CCC ZINC000037445493 213148321 /nfs/dbraw/zinc/14/83/21/213148321.db2.gz GIXNRVSCZVNHCI-WBMJQRKESA-N 1 0 328.294 4.935 10 0 EJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1Br ZINC000037445597 213147748 /nfs/dbraw/zinc/14/77/48/213147748.db2.gz XLZDEZUVGIULTI-HNNXBMFYSA-N 1 0 328.294 4.935 10 0 EJAERO CC(C)C[C@H](C)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037255881 213137734 /nfs/dbraw/zinc/13/77/34/213137734.db2.gz IDRZMOVHXJQNGW-WFASDCNBSA-N 1 0 326.278 4.687 10 0 EJAERO CCC[NH2+]Cc1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753066 213117691 /nfs/dbraw/zinc/11/76/91/213117691.db2.gz LSIMNJVGZYNVQJ-UHFFFAOYSA-N 1 0 328.250 4.816 10 0 EJAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(Br)cc2)C1 ZINC000035721976 213047451 /nfs/dbraw/zinc/04/74/51/213047451.db2.gz OMHNDYYQSVAADB-LALPHHSUSA-N 1 0 328.319 4.695 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)o1)c1csc2ccccc21 ZINC000035554902 213037290 /nfs/dbraw/zinc/03/72/90/213037290.db2.gz UYWMIPMZUGWBNX-HNNXBMFYSA-N 1 0 336.254 4.956 10 0 EJAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035510400 213034683 /nfs/dbraw/zinc/03/46/83/213034683.db2.gz BYEAJHLGHZOSNN-AWEZNQCLSA-N 1 0 328.250 4.657 10 0 EJAERO CC[NH2+][C@H](c1sccc1C)c1cc(Br)ccc1OC ZINC000035508745 213034144 /nfs/dbraw/zinc/03/41/44/213034144.db2.gz CDKHWXDKBBBCFM-AWEZNQCLSA-N 1 0 340.286 4.527 10 0 EJAERO CC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)[C@@H](C)CC ZINC000035509811 213034178 /nfs/dbraw/zinc/03/41/78/213034178.db2.gz CHEFLDBONNCTNA-ZANVPECISA-N 1 0 334.685 4.808 10 0 EJAERO CCc1ccc([C@@H]([NH2+]C)c2cc(F)ccc2Br)s1 ZINC000035461124 213030597 /nfs/dbraw/zinc/03/05/97/213030597.db2.gz GWVDDXDLOFACBE-AWEZNQCLSA-N 1 0 328.250 4.521 10 0 EJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC000035462598 213030399 /nfs/dbraw/zinc/03/03/99/213030399.db2.gz FAQYIXZDKQQUNZ-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000035256908 213015421 /nfs/dbraw/zinc/01/54/21/213015421.db2.gz SUCPZAGOZAKGCI-ZFWWWQNUSA-N 1 0 326.278 4.516 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+]CC1CCCC1 ZINC000035253142 213015652 /nfs/dbraw/zinc/01/56/52/213015652.db2.gz QHYNUMLRDBWYQY-UHFFFAOYSA-N 1 0 326.278 4.518 10 0 EJAERO CCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035583493 213038670 /nfs/dbraw/zinc/03/86/70/213038670.db2.gz DMFKCKKZIWQJHL-GFCCVEGCSA-N 1 0 334.666 4.846 10 0 EJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(Br)cc1F ZINC000035497565 202304991 /nfs/dbraw/zinc/30/49/91/202304991.db2.gz OLWPVOUEVDBHGN-CQSZACIVSA-N 1 0 328.250 4.575 10 0 EJAERO C[C@H]([NH3+])c1ccc(Oc2cc(F)ccc2F)c(Br)c1 ZINC000071167916 202338820 /nfs/dbraw/zinc/33/88/20/202338820.db2.gz PQVOUFCKAZQSHV-QMMMGPOBSA-N 1 0 328.156 4.539 10 0 EJAERO Cc1cccc(-c2nc3cc(Cl)ccc3n2CCC[NH+](C)C)c1 ZINC000040404243 202437650 /nfs/dbraw/zinc/43/76/50/202437650.db2.gz NOPWCXGTLZYTQT-UHFFFAOYSA-N 1 0 327.859 4.617 10 0 EJAERO CCOc1ccc(Br)cc1[C@H]([NH3+])CC1CCCCC1 ZINC000037226088 213135934 /nfs/dbraw/zinc/13/59/34/213135934.db2.gz DMJOKKRYYLIFQQ-OAHLLOKOSA-N 1 0 326.278 4.818 10 0 EJAERO CCOc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Cl)cc1 ZINC000037287742 213138062 /nfs/dbraw/zinc/13/80/62/213138062.db2.gz ABGYRQDSXNOGEP-OAHLLOKOSA-N 1 0 340.648 4.549 10 0 EJAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037377642 213143146 /nfs/dbraw/zinc/14/31/46/213143146.db2.gz LIOXYDVPMAAGOP-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2Cl)c(Br)c1 ZINC000061699096 202789316 /nfs/dbraw/zinc/78/93/16/202789316.db2.gz HTYLMMSBVUBLNK-SECBINFHSA-N 1 0 326.621 4.915 10 0 EJAERO Cc1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)cc1Cl ZINC000020876639 212181731 /nfs/dbraw/zinc/18/17/31/212181731.db2.gz IOZJLHZYTJDYJF-IBGZPJMESA-N 1 0 341.838 4.732 10 0 EJAERO CCCCOc1cccc(NC(=O)OC2CC[NH+](CCCC)CC2)c1 ZINC000005513809 201653710 /nfs/dbraw/zinc/65/37/10/201653710.db2.gz CURJFNWMJCVJOY-UHFFFAOYSA-N 1 0 348.487 4.679 10 0 EJAERO CC(C)c1ccc(-n2cc(C[NH3+])c(-c3ccc(Cl)cc3)n2)cc1 ZINC000020390889 212124669 /nfs/dbraw/zinc/12/46/69/212124669.db2.gz MHSFWMGFAXLOFE-UHFFFAOYSA-N 1 0 325.843 4.775 10 0 EJAERO [NH3+][C@H](c1ccccc1F)c1cc(C(F)(F)F)ccc1Br ZINC000019971874 212092138 /nfs/dbraw/zinc/09/21/38/212092138.db2.gz NXPAOIYSMQMQNI-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO CC[C@H]([NH2+]Cc1ccccc1OC)c1ccc(Br)cc1 ZINC000019903248 212081749 /nfs/dbraw/zinc/08/17/49/212081749.db2.gz GNGSVJPEQARXJR-INIZCTEOSA-N 1 0 334.257 4.699 10 0 EJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000019873764 212078679 /nfs/dbraw/zinc/07/86/79/212078679.db2.gz ZJJMVNXSZWHXEL-SECBINFHSA-N 1 0 326.621 4.915 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000019804128 212070819 /nfs/dbraw/zinc/07/08/19/212070819.db2.gz URMSKIVZGXOHQB-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019512969 212035352 /nfs/dbraw/zinc/03/53/52/212035352.db2.gz IHOOLXNVFUMOJV-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000019506762 212034466 /nfs/dbraw/zinc/03/44/66/212034466.db2.gz VHOWRZOBUPZDBZ-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO CCCCCCO[C@@H](c1ccc(Br)s1)[C@@H]([NH3+])CC ZINC000103972017 204090158 /nfs/dbraw/zinc/09/01/58/204090158.db2.gz JUZFFIAXYYEDNO-SMDDNHRTSA-N 1 0 334.323 4.886 10 0 EJAERO CCCCC[N@H+](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000103971876 204090236 /nfs/dbraw/zinc/09/02/36/204090236.db2.gz YAEOPBPDSOFCTA-UHFFFAOYSA-N 1 0 328.294 4.858 10 0 EJAERO [NH3+]Cc1ccc(Br)cc1Sc1ccccc1Cl ZINC000104288542 204105254 /nfs/dbraw/zinc/10/52/54/204105254.db2.gz PEYRBDRZTIYEMB-UHFFFAOYSA-N 1 0 328.662 4.712 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccc(Br)cc1)c1ccccc1F ZINC000043049897 204209105 /nfs/dbraw/zinc/20/91/05/204209105.db2.gz JLAWOPYITYKCLB-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000042948124 204182355 /nfs/dbraw/zinc/18/23/55/204182355.db2.gz JTLQECXGQNHXQB-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccccc1S[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042959638 204186369 /nfs/dbraw/zinc/18/63/69/204186369.db2.gz AKEXLUHSLRQWET-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1cc(Br)ccc1Oc1cccc(Cl)c1C[NH3+] ZINC000110519590 204315275 /nfs/dbraw/zinc/31/52/75/204315275.db2.gz ZVPBZBFFIIDYFE-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO CC[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1Br ZINC000043096138 213560134 /nfs/dbraw/zinc/56/01/34/213560134.db2.gz LRVQFTBSVSHWRQ-HUUCEWRRSA-N 1 0 340.286 4.754 10 0 EJAERO [NH3+]C[C@@H](Sc1ccccc1Cl)c1ccccc1Br ZINC000043095805 213560457 /nfs/dbraw/zinc/56/04/57/213560457.db2.gz QKYUHGIQXABYSZ-CQSZACIVSA-N 1 0 342.689 4.895 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4ccc(F)cc4)cc3)oc2c(C)c1 ZINC000226307515 205125325 /nfs/dbraw/zinc/12/53/25/205125325.db2.gz FMAHVZADKZNRDK-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO CCC[NH2+][C@@H](CCc1ccc(F)cc1Br)C(C)(C)C ZINC000103934745 206478372 /nfs/dbraw/zinc/47/83/72/206478372.db2.gz JVYYXBCFRJSVEU-HNNXBMFYSA-N 1 0 330.285 4.935 10 0 EJAERO CCC(CC)(C[NH2+]C(C)C)Cc1cc(F)ccc1Br ZINC000104004963 206482363 /nfs/dbraw/zinc/48/23/63/206482363.db2.gz CFBWXVXOUBBOHE-UHFFFAOYSA-N 1 0 330.285 4.935 10 0 EJAERO CCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000010474836 211176235 /nfs/dbraw/zinc/17/62/35/211176235.db2.gz HAWYZNNBGABAHI-UHFFFAOYSA-N 1 0 344.293 4.526 10 0 EJAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1C ZINC000013724345 563718065 /nfs/dbraw/zinc/71/80/65/563718065.db2.gz SGJDTUCNJVLKKG-UHFFFAOYSA-N 1 0 327.468 4.718 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000013724904 563718466 /nfs/dbraw/zinc/71/84/66/563718466.db2.gz OAZXPXMTUCFHQW-UHFFFAOYSA-N 1 0 327.468 4.861 10 0 EJAERO CCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000042451663 563924751 /nfs/dbraw/zinc/92/47/51/563924751.db2.gz IQTBBNNLXUXPDK-SFHVURJKSA-N 1 0 349.478 4.920 10 0 EJAERO CCOc1cccc(C[NH2+]C2CC2)c1OCc1ccc(Cl)cc1 ZINC000013730225 564020657 /nfs/dbraw/zinc/02/06/57/564020657.db2.gz QYZGLESLTOEQER-UHFFFAOYSA-N 1 0 331.843 4.570 10 0 EJAERO COc1cc(Cl)ccc1NC(=O)Oc1cc(C)nc2ccccc21 ZINC000048523976 564031801 /nfs/dbraw/zinc/03/18/01/564031801.db2.gz DGCUWNWXZMEYSL-UHFFFAOYSA-N 1 0 342.782 4.816 10 0 EJAERO C[C@H]([NH3+])c1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000050209354 214051102 /nfs/dbraw/zinc/05/11/02/214051102.db2.gz CYVYUFAHFPLOOS-QMMMGPOBSA-N 1 0 346.677 4.763 10 0 EJAERO [NH3+]C[C@H](Cc1ccc(Cl)s1)Cc1ccc(Br)cc1 ZINC000052947645 214155805 /nfs/dbraw/zinc/15/58/05/214155805.db2.gz UIBVEVYXKNBYAX-NSHDSACASA-N 1 0 344.705 4.524 10 0 EJAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)Cc1ccccc1 ZINC000053821294 214199866 /nfs/dbraw/zinc/19/98/66/214199866.db2.gz GSLDIWMOVOFOPN-AWEZNQCLSA-N 1 0 338.314 4.664 10 0 EJAERO Cc1ccccc1[C@@H](Sc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000055307208 214303752 /nfs/dbraw/zinc/30/37/52/214303752.db2.gz MSKQZWUKLFDNPB-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO CC(C)C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccccn1 ZINC000055368714 214312706 /nfs/dbraw/zinc/31/27/06/214312706.db2.gz UAVPDQNDRDAVPG-SFHVURJKSA-N 1 0 330.497 4.653 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000042959398 213546059 /nfs/dbraw/zinc/54/60/59/213546059.db2.gz QLRDNSIQSTZIFV-AWEZNQCLSA-N 1 0 344.224 4.519 10 0 EJAERO Cc1ccc([C@H](Sc2ccccc2Br)[C@H](C)[NH3+])cc1 ZINC000042912260 213542245 /nfs/dbraw/zinc/54/22/45/213542245.db2.gz OLVVPEYRLGQCBA-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103936391 219330416 /nfs/dbraw/zinc/33/04/16/219330416.db2.gz GNGBLFLQORQTND-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO CCC[NH2+][C@H](CCc1cc(Br)ccc1F)C(C)(C)C ZINC000103933283 219330577 /nfs/dbraw/zinc/33/05/77/219330577.db2.gz WCLNVLZORAOBCO-OAHLLOKOSA-N 1 0 330.285 4.935 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Br)C1CCCCC1 ZINC000103946477 219330866 /nfs/dbraw/zinc/33/08/66/219330866.db2.gz VFOWQGMVUWWUDP-INIZCTEOSA-N 1 0 328.269 4.689 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000103940681 219330898 /nfs/dbraw/zinc/33/08/98/219330898.db2.gz JFUZLYKHBHNAKP-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[C@]([NH3+])(Cc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000103944514 219330981 /nfs/dbraw/zinc/33/09/81/219330981.db2.gz YONJADPCVLMLAL-HNNXBMFYSA-N 1 0 342.639 4.658 10 0 EJAERO C[C@@]([NH3+])(Cc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000103944511 219331113 /nfs/dbraw/zinc/33/11/13/219331113.db2.gz YONJADPCVLMLAL-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO [NH3+][C@H](Cc1sccc1Br)C12CC3CC(CC(C3)C1)C2 ZINC000103943541 219331224 /nfs/dbraw/zinc/33/12/24/219331224.db2.gz INUAKNSCMHUENU-ABQMOFGXSA-N 1 0 340.330 4.597 10 0 EJAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)c1cc(F)ccc1C ZINC000103939691 219331507 /nfs/dbraw/zinc/33/15/07/219331507.db2.gz BBMZGANHDSYYQR-HNNXBMFYSA-N 1 0 342.277 4.851 10 0 EJAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000103951444 219331864 /nfs/dbraw/zinc/33/18/64/219331864.db2.gz HWZFNOIFPLLKNS-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(Cc2ccc(Br)cc2F)C1 ZINC000103949555 219332396 /nfs/dbraw/zinc/33/23/96/219332396.db2.gz LMBVXODNFQAIID-BZNIZROVSA-N 1 0 328.269 4.674 10 0 EJAERO CCCC[C@@](CC)(C[NH2+]C)Cc1cc(F)ccc1Br ZINC000103999511 219336829 /nfs/dbraw/zinc/33/68/29/219336829.db2.gz SVOULQYENSURHB-MRXNPFEDSA-N 1 0 330.285 4.937 10 0 EJAERO C[C@@H]([NH2+]CCSc1ccccc1)c1ccccc1Br ZINC000103993964 219337230 /nfs/dbraw/zinc/33/72/30/219337230.db2.gz HFRFZSXAPXBQHH-CYBMUJFWSA-N 1 0 336.298 4.892 10 0 EJAERO CCC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(F)c(Br)c1 ZINC000104002354 219337544 /nfs/dbraw/zinc/33/75/44/219337544.db2.gz XPLAATMANFWQFH-MRXNPFEDSA-N 1 0 328.269 4.689 10 0 EJAERO CC(C)C[NH2+]CCC[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000104005970 219337882 /nfs/dbraw/zinc/33/78/82/219337882.db2.gz GPUWJROHNMFRAH-GFCCVEGCSA-N 1 0 348.712 4.896 10 0 EJAERO CCC[C@H](C[NH2+]CC(C)C)Cc1cc(Br)ccc1F ZINC000104008854 219338060 /nfs/dbraw/zinc/33/80/60/219338060.db2.gz FKKWFAZPLJCAGN-ZDUSSCGKSA-N 1 0 330.285 4.793 10 0 EJAERO CC(C)C[NH2+]C[C@@H](Cc1cccc(Br)c1)CC(C)C ZINC000104014146 219338892 /nfs/dbraw/zinc/33/88/92/219338892.db2.gz YMFZONOLDAMHEZ-MRXNPFEDSA-N 1 0 326.322 4.900 10 0 EJAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(Br)cc1F ZINC000104018188 219339474 /nfs/dbraw/zinc/33/94/74/219339474.db2.gz BUFRZTIXYYZYTQ-INIZCTEOSA-N 1 0 330.285 4.793 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)[C@H](C)CC ZINC000103980432 219334670 /nfs/dbraw/zinc/33/46/70/219334670.db2.gz UXYNFWMYPYBQKL-OLZOCXBDSA-N 1 0 328.294 4.762 10 0 EJAERO CCC[C@H](C)COc1ccc(C[C@H]([NH3+])CC)cc1Br ZINC000104040741 219341344 /nfs/dbraw/zinc/34/13/44/219341344.db2.gz DCABIYVGTGNEHR-GXTWGEPZSA-N 1 0 328.294 4.544 10 0 EJAERO CCC1(CC)CSC(N[C@@H](C)c2cccc(Br)c2)=[NH+]1 ZINC000104156626 219355050 /nfs/dbraw/zinc/35/50/50/219355050.db2.gz ZXHYJLJRFBFYBT-NSHDSACASA-N 1 0 341.318 4.761 10 0 EJAERO C[NH2+][C@@H](C)c1ccc(OC2CCCCCC2)c(Br)c1 ZINC000104178614 219355579 /nfs/dbraw/zinc/35/55/79/219355579.db2.gz BJGKPINKYPKFFO-LBPRGKRZSA-N 1 0 326.278 4.831 10 0 EJAERO CC[C@@H]([NH3+])Cc1ccc(Sc2cccc(Br)c2)cc1 ZINC000104433341 219386943 /nfs/dbraw/zinc/38/69/43/219386943.db2.gz LCRQTVCAKZYCFT-CQSZACIVSA-N 1 0 336.298 4.880 10 0 EJAERO CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040405376 213298940 /nfs/dbraw/zinc/29/89/40/213298940.db2.gz XQYILQFOAQTSJO-UHFFFAOYSA-N 1 0 341.421 4.694 10 0 EJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000038002920 213187842 /nfs/dbraw/zinc/18/78/42/213187842.db2.gz NBMVAPLAUGCLJK-PWSUYJOCSA-N 1 0 338.270 4.685 10 0 EJAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000037287725 213137945 /nfs/dbraw/zinc/13/79/45/213137945.db2.gz QHCHEUZVUBNSEA-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccccc1Br ZINC000036997835 213129560 /nfs/dbraw/zinc/12/95/60/213129560.db2.gz SLOBYSMTTLSBMA-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccccc1Br ZINC000036997836 213129688 /nfs/dbraw/zinc/12/96/88/213129688.db2.gz SLOBYSMTTLSBMA-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO Cc1ccc(Cl)c(Oc2cc(Br)ccc2C[NH3+])c1 ZINC000036670759 213109061 /nfs/dbraw/zinc/10/90/61/213109061.db2.gz DBXSKWNRZFWJNM-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000035540238 213037934 /nfs/dbraw/zinc/03/79/34/213037934.db2.gz ITBVLQKXDOSAJX-HNNXBMFYSA-N 1 0 342.639 4.941 10 0 EJAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000035539116 213036135 /nfs/dbraw/zinc/03/61/35/213036135.db2.gz HKUFABRMIMYHBR-MRXNPFEDSA-N 1 0 338.676 4.996 10 0 EJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(Br)ccc1F ZINC000035510113 213035657 /nfs/dbraw/zinc/03/56/57/213035657.db2.gz QABVHJHWKHHOEW-CQSZACIVSA-N 1 0 328.250 4.657 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)cc1Br ZINC000035464679 213030165 /nfs/dbraw/zinc/03/01/65/213030165.db2.gz AVENXKHYXKWCJY-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)cc1Br ZINC000035497844 202304676 /nfs/dbraw/zinc/30/46/76/202304676.db2.gz XKXCFBBZGBTEOX-AWEZNQCLSA-N 1 0 328.250 4.575 10 0 EJAERO Fc1ccc(Br)cc1-c1ccc(C[NH2+]C2CC2)s1 ZINC000036753059 213117795 /nfs/dbraw/zinc/11/77/95/213117795.db2.gz HBDQXARRHUKWCM-UHFFFAOYSA-N 1 0 326.234 4.569 10 0 EJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1cc(F)cc(Br)c1 ZINC000037034367 202335474 /nfs/dbraw/zinc/33/54/74/202335474.db2.gz SKOCLFCBWLMSPT-CYBMUJFWSA-N 1 0 349.030 4.943 10 0 EJAERO Cc1cc([C@@H]([NH3+])c2cc(Br)ccc2Cl)c(C)s1 ZINC000037287873 202339548 /nfs/dbraw/zinc/33/95/48/202339548.db2.gz LCBXOJBNSIJGKT-CYBMUJFWSA-N 1 0 330.678 4.829 10 0 EJAERO [NH3+][C@H](c1nc2cc(Br)ccc2s1)C1CCCCC1 ZINC000038036889 202389065 /nfs/dbraw/zinc/38/90/65/202389065.db2.gz QHKQHQRTJYWTOA-ZDUSSCGKSA-N 1 0 325.275 4.639 10 0 EJAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1ccc(Br)cc1 ZINC000037381648 213143196 /nfs/dbraw/zinc/14/31/96/213143196.db2.gz ZQPQKKIATAFUHG-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(Br)s1 ZINC000038002697 213187059 /nfs/dbraw/zinc/18/70/59/213187059.db2.gz KYYVLZBKKFCZLR-VHSXEESVSA-N 1 0 330.316 4.854 10 0 EJAERO Clc1ccc(CN(CC2CCCCC2)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000090487981 201372044 /nfs/dbraw/zinc/37/20/44/201372044.db2.gz JRYMCXIUJOQABJ-MRXNPFEDSA-N 1 0 341.326 4.738 10 0 EJAERO Cc1ccsc1[C@H](Sc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000055307243 202688017 /nfs/dbraw/zinc/68/80/17/202688017.db2.gz JIBUUBQIOSAGJJ-QMTHXVAHSA-N 1 0 342.327 5.000 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4cccc(F)c4)cc3)oc2cc1C ZINC000226307685 242096613 /nfs/dbraw/zinc/09/66/13/242096613.db2.gz CSXRIDQIYJPUKH-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OCC ZINC000020933560 212190386 /nfs/dbraw/zinc/19/03/86/212190386.db2.gz QBLMXMUTOUHAHM-SFHVURJKSA-N 1 0 341.495 4.985 10 0 EJAERO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccc(OC)cc1 ZINC000020930755 212189926 /nfs/dbraw/zinc/18/99/26/212189926.db2.gz GHXMOZKNKLCMIQ-UHFFFAOYSA-N 1 0 335.447 4.927 10 0 EJAERO CCCOc1ccc(C[NH2+]CCc2ccccc2)cc1Br ZINC000020925868 212187768 /nfs/dbraw/zinc/18/77/68/212187768.db2.gz WTAGXSSEMRBQGP-UHFFFAOYSA-N 1 0 348.284 4.570 10 0 EJAERO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875120 212180103 /nfs/dbraw/zinc/18/01/03/212180103.db2.gz CRLYVBOWUZVSAH-UHFFFAOYSA-N 1 0 347.886 4.744 10 0 EJAERO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874851 212179472 /nfs/dbraw/zinc/17/94/72/212179472.db2.gz DOAQJQLAEVOIQN-UHFFFAOYSA-N 1 0 333.859 4.736 10 0 EJAERO CCN(CC)c1cc(/C=C/c2ccc(C)cc2)[n+](C)c2ccccc12 ZINC000020608638 212154158 /nfs/dbraw/zinc/15/41/58/212154158.db2.gz SKFCHPPWPHSHEW-FOCLMDBBSA-N 1 0 331.483 4.989 10 0 EJAERO C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]c3ccc(Cl)cc32)C1 ZINC000253495265 244004440 /nfs/dbraw/zinc/00/44/40/244004440.db2.gz SFTOOBDOCMFQDS-AWEZNQCLSA-N 1 0 329.875 4.725 10 0 EJAERO Cc1ccc(Oc2cccc(Cl)c2C[NH3+])c(Br)c1 ZINC000020470375 212134609 /nfs/dbraw/zinc/13/46/09/212134609.db2.gz QWHWIIJEOVJAFR-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(Br)cc1Cl ZINC000020373081 212123314 /nfs/dbraw/zinc/12/33/14/212123314.db2.gz IBYSCOVBLCQCSR-VIFPVBQESA-N 1 0 326.621 4.915 10 0 EJAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000020095797 212100735 /nfs/dbraw/zinc/10/07/35/212100735.db2.gz OROKHGYUSFTQHP-JTQLQIEISA-N 1 0 326.184 4.578 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000019968798 212091834 /nfs/dbraw/zinc/09/18/34/212091834.db2.gz PIEMADIAJBQPLQ-AWEZNQCLSA-N 1 0 344.174 4.710 10 0 EJAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000019968799 212091185 /nfs/dbraw/zinc/09/11/85/212091185.db2.gz PIEMADIAJBQPLQ-CQSZACIVSA-N 1 0 344.174 4.710 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000019804129 212071265 /nfs/dbraw/zinc/07/12/65/212071265.db2.gz VAZPPYLRGHQZGD-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO CCOc1cc(C[NH2+]C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019777625 212065929 /nfs/dbraw/zinc/06/59/29/212065929.db2.gz YYYQEOQSJZEHAF-UHFFFAOYSA-N 1 0 340.250 4.691 10 0 EJAERO C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019777198 212065577 /nfs/dbraw/zinc/06/55/77/212065577.db2.gz OINKWCRXPQGXEK-UHFFFAOYSA-N 1 0 330.642 4.945 10 0 EJAERO CC(C)(C)C1CCC([NH3+])(Cc2cc(Br)cs2)CC1 ZINC000103941893 204090627 /nfs/dbraw/zinc/09/06/27/204090627.db2.gz WJSVAQUYBMLSIK-UHFFFAOYSA-N 1 0 330.335 4.987 10 0 EJAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl ZINC000104174581 204098782 /nfs/dbraw/zinc/09/87/82/204098782.db2.gz IESZKCQJPLPFPH-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000042903887 204160980 /nfs/dbraw/zinc/16/09/80/204160980.db2.gz WHNRJEHXRYWHEO-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccccc1Br ZINC000043095822 204210237 /nfs/dbraw/zinc/21/02/37/204210237.db2.gz SQUHKBYCXYCMAY-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccccc1Br ZINC000043095605 204210551 /nfs/dbraw/zinc/21/05/51/204210551.db2.gz FKRFMFCBAJYDDA-CABCVRRESA-N 1 0 340.286 4.506 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000043024850 204196785 /nfs/dbraw/zinc/19/67/85/204196785.db2.gz GCZDQWHZQODKIF-AWEZNQCLSA-N 1 0 344.224 4.519 10 0 EJAERO Cc1ccc(S[C@@H](c2cccc(Br)c2)[C@H](C)[NH3+])cc1 ZINC000043024272 204197475 /nfs/dbraw/zinc/19/74/75/204197475.db2.gz FQQLODOKGCRTET-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000013725996 211621868 /nfs/dbraw/zinc/62/18/68/211621868.db2.gz LQOAGCFFSTWNIA-OAHLLOKOSA-N 1 0 347.886 4.858 10 0 EJAERO C[C@@H]([NH3+])Cc1cc(F)ccc1Sc1cccc(Br)c1 ZINC000104434732 206494141 /nfs/dbraw/zinc/49/41/41/206494141.db2.gz XVLIKVFBMDQPDQ-SNVBAGLBSA-N 1 0 340.261 4.629 10 0 EJAERO CCOc1c(C[NH2+]C2CCCCCCC2)cc(Cl)cc1OC ZINC000010475350 211175088 /nfs/dbraw/zinc/17/50/88/211175088.db2.gz DMKKLUUSUQNIHD-UHFFFAOYSA-N 1 0 325.880 4.950 10 0 EJAERO C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1ccc(-c2ccccc2)cc1 ZINC000005751916 210530366 /nfs/dbraw/zinc/53/03/66/210530366.db2.gz YHUJWSLDSRQQKZ-SFHVURJKSA-N 1 0 337.463 4.775 10 0 EJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000036992436 525159162 /nfs/dbraw/zinc/15/91/62/525159162.db2.gz BUTADGDQQJSSBD-MNOVXSKESA-N 1 0 325.861 4.831 10 0 EJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000036992435 525329586 /nfs/dbraw/zinc/32/95/86/525329586.db2.gz BUTADGDQQJSSBD-QWRGUYRKSA-N 1 0 325.861 4.831 10 0 EJAERO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Br ZINC000010473901 563647965 /nfs/dbraw/zinc/64/79/65/563647965.db2.gz YMFSEIRHLQUTGL-CYBMUJFWSA-N 1 0 334.257 4.699 10 0 EJAERO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1OC ZINC000013719035 563715772 /nfs/dbraw/zinc/71/57/72/563715772.db2.gz OAYBUBIXWIUILB-UHFFFAOYSA-N 1 0 335.447 4.579 10 0 EJAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000013720057 563716090 /nfs/dbraw/zinc/71/60/90/563716090.db2.gz UAEBDEJEQUOKRN-UHFFFAOYSA-N 1 0 341.495 4.870 10 0 EJAERO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721264 563716481 /nfs/dbraw/zinc/71/64/81/563716481.db2.gz DOZPJYIZKDOMCD-UHFFFAOYSA-N 1 0 344.669 4.988 10 0 EJAERO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013721785 563716784 /nfs/dbraw/zinc/71/67/84/563716784.db2.gz HORRPLIERWDWMV-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000013724671 563717991 /nfs/dbraw/zinc/71/79/91/563717991.db2.gz RAWSXJAAIHGQCG-UHFFFAOYSA-N 1 0 331.431 4.692 10 0 EJAERO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccccc1 ZINC000013724677 563718001 /nfs/dbraw/zinc/71/80/01/563718001.db2.gz TWRQGLTVSDEQBX-UHFFFAOYSA-N 1 0 327.468 4.943 10 0 EJAERO OCCCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013727171 563718730 /nfs/dbraw/zinc/71/87/30/563718730.db2.gz AXBDOPYLOGWXEQ-UHFFFAOYSA-N 1 0 328.239 4.506 10 0 EJAERO CC(C)C[NH2+]Cc1ccc2ccccc2c1NC(=O)OC(C)(C)C ZINC000725245986 563976112 /nfs/dbraw/zinc/97/61/12/563976112.db2.gz NVZCKYWNSWEBIZ-UHFFFAOYSA-N 1 0 328.456 4.932 10 0 EJAERO CCc1[nH]c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2c1C ZINC000012445306 564051491 /nfs/dbraw/zinc/05/14/91/564051491.db2.gz YQMAVEDYOKKUHC-UHFFFAOYSA-N 1 0 344.462 4.719 10 0 EJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000051631056 214098405 /nfs/dbraw/zinc/09/84/05/214098405.db2.gz PXTVLXDZGDBRTQ-BXUZGUMPSA-N 1 0 336.298 4.719 10 0 EJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(Br)o1 ZINC000052945097 214156334 /nfs/dbraw/zinc/15/63/34/214156334.db2.gz BHYHHLNVIXEWLH-GFCCVEGCSA-N 1 0 328.637 4.589 10 0 EJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(Br)o1 ZINC000052945096 214156611 /nfs/dbraw/zinc/15/66/11/214156611.db2.gz BHYHHLNVIXEWLH-LBPRGKRZSA-N 1 0 328.637 4.589 10 0 EJAERO C[C@]([NH3+])(Cc1ccc(Br)s1)c1ccccc1Cl ZINC000053756583 214196104 /nfs/dbraw/zinc/19/61/04/214196104.db2.gz XRHVEUAEZVTRNM-ZDUSSCGKSA-N 1 0 330.678 4.581 10 0 EJAERO CCC[NH2+][C@@H](Cc1cc(Br)cs1)c1cccs1 ZINC000053816402 214200145 /nfs/dbraw/zinc/20/01/45/214200145.db2.gz MCXQUINUEPHRBK-LBPRGKRZSA-N 1 0 330.316 4.856 10 0 EJAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000053823244 214200291 /nfs/dbraw/zinc/20/02/91/214200291.db2.gz QRTHNNSUUMVIQV-AWEZNQCLSA-N 1 0 346.240 4.682 10 0 EJAERO [NH3+]C[C@H](Sc1cccc(Cl)c1)c1ccccc1Br ZINC000054185393 214223326 /nfs/dbraw/zinc/22/33/26/214223326.db2.gz AGNQOMCBUUJATB-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO [NH3+][C@@H](c1ccccc1Br)c1ccccc1C(F)(F)F ZINC000055234051 214292481 /nfs/dbraw/zinc/29/24/81/214292481.db2.gz ROPOHEPQZKYPTQ-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO [NH3+][C@H](c1ccccc1Br)c1ccccc1C(F)(F)F ZINC000055234050 214292710 /nfs/dbraw/zinc/29/27/10/214292710.db2.gz ROPOHEPQZKYPTQ-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1cccc(F)c1 ZINC000055307616 214304451 /nfs/dbraw/zinc/30/44/51/214304451.db2.gz GFORSVURXSBSAH-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccsc1[C@@H](Oc1ccc(Br)cc1C)[C@H](C)[NH3+] ZINC000063061696 214743063 /nfs/dbraw/zinc/74/30/63/214743063.db2.gz UPYRIPMWLHYXER-FZMZJTMJSA-N 1 0 340.286 4.595 10 0 EJAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1ccc(F)cc1Cl ZINC000061846352 214679974 /nfs/dbraw/zinc/67/99/74/214679974.db2.gz RNTPVDXGYHBOCP-CQSZACIVSA-N 1 0 346.602 4.623 10 0 EJAERO [NH3+]C[C@@H](Sc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000042959423 213545986 /nfs/dbraw/zinc/54/59/86/213545986.db2.gz FNEMZVZMGKONLS-CQSZACIVSA-N 1 0 344.224 4.519 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000042948307 213544829 /nfs/dbraw/zinc/54/48/29/213544829.db2.gz OQCQTFJFYJPNOP-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC000042903422 213540605 /nfs/dbraw/zinc/54/06/05/213540605.db2.gz UGYCVLNDOBXBJO-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO CCC[NH2+][C@@H](CCCOc1ccc(Br)cc1)C(C)C ZINC000103938855 219330467 /nfs/dbraw/zinc/33/04/67/219330467.db2.gz QEQHTFJVPUFRNY-INIZCTEOSA-N 1 0 328.294 4.632 10 0 EJAERO [NH3+]Cc1cc(Cl)ccc1Sc1cccc(Br)c1 ZINC000103936169 219330563 /nfs/dbraw/zinc/33/05/63/219330563.db2.gz PVYVDUJPEQANIW-UHFFFAOYSA-N 1 0 328.662 4.712 10 0 EJAERO [NH3+][C@@]1(Cc2sccc2Br)CCCCc2ccccc21 ZINC000103937692 219330619 /nfs/dbraw/zinc/33/06/19/219330619.db2.gz YMMPTQWKOUDUBP-MRXNPFEDSA-N 1 0 336.298 4.634 10 0 EJAERO CC[NH2+][C@H](Cc1cc(Br)cs1)c1ccc(F)c(C)c1 ZINC000103940743 219330946 /nfs/dbraw/zinc/33/09/46/219330946.db2.gz KWXNSIUUMWDSEL-OAHLLOKOSA-N 1 0 342.277 4.851 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)c1cc(F)ccc1C ZINC000103939679 219331097 /nfs/dbraw/zinc/33/10/97/219331097.db2.gz SUHJPAAUVWOVHR-AWEZNQCLSA-N 1 0 342.277 4.851 10 0 EJAERO [NH3+][C@@H](Cc1sccc1Br)C12CC3CC(CC(C3)C1)C2 ZINC000103943538 219331429 /nfs/dbraw/zinc/33/14/29/219331429.db2.gz INUAKNSCMHUENU-AANXBIRDSA-N 1 0 340.330 4.597 10 0 EJAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])Cc1ccc(Br)s1 ZINC000103948009 219331971 /nfs/dbraw/zinc/33/19/71/219331971.db2.gz JKBQSRILIHZBDY-IUODEOHRSA-N 1 0 330.335 4.987 10 0 EJAERO CCCC[C@](CC)(C[NH2+]C)Cc1cc(F)ccc1Br ZINC000103999508 219336932 /nfs/dbraw/zinc/33/69/32/219336932.db2.gz SVOULQYENSURHB-INIZCTEOSA-N 1 0 330.285 4.937 10 0 EJAERO CCC(C)(C)[NH2+]CCOc1c(C)cc(Br)cc1Cl ZINC000104009619 219338020 /nfs/dbraw/zinc/33/80/20/219338020.db2.gz KBLUTOMVNIRGAL-UHFFFAOYSA-N 1 0 334.685 4.568 10 0 EJAERO C[C@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)cc2Br)C1 ZINC000104014812 219339321 /nfs/dbraw/zinc/33/93/21/219339321.db2.gz PODYARKYUFGMBN-AAEUAGOBSA-N 1 0 346.696 4.650 10 0 EJAERO C[NH2+][C@H](Cc1cccc(C)c1)c1ccc(Br)cc1Cl ZINC000104170908 219354455 /nfs/dbraw/zinc/35/44/55/219354455.db2.gz JESRSAWUDWBXJE-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO C[NH2+][C@H](C)c1ccc(O[C@H]2CCC[C@@H](C)C2)c(Br)c1 ZINC000104172390 219355007 /nfs/dbraw/zinc/35/50/07/219355007.db2.gz HOHGKAAXCJYZTO-BZPMIXESSA-N 1 0 326.278 4.687 10 0 EJAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(Br)ccc1F ZINC000104175722 219355604 /nfs/dbraw/zinc/35/56/04/219355604.db2.gz BCUQMVAURDWJDI-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH2+][C@H](Cc1cc(Br)cs1)c1cc(F)ccc1F ZINC000104242712 219364743 /nfs/dbraw/zinc/36/47/43/219364743.db2.gz SJRAABTWBVBMTR-CQSZACIVSA-N 1 0 346.240 4.682 10 0 EJAERO CC[NH2+][C@H](c1sccc1Br)c1ccc(Cl)cc1 ZINC000104286910 219370376 /nfs/dbraw/zinc/37/03/76/219370376.db2.gz AAACLNGJCYJOOG-LBPRGKRZSA-N 1 0 330.678 4.863 10 0 EJAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC000104293906 219370469 /nfs/dbraw/zinc/37/04/69/219370469.db2.gz GVKXMRDGPKROPH-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1sccc1Br ZINC000104286905 219370642 /nfs/dbraw/zinc/37/06/42/219370642.db2.gz YSHCGTXFSONZPU-GFCCVEGCSA-N 1 0 330.316 4.833 10 0 EJAERO CC[NH2+][C@H](c1sccc1Br)c1ccc2c(c1)CCC2 ZINC000104288105 219370981 /nfs/dbraw/zinc/37/09/81/219370981.db2.gz WHAAUJNDVLJRKT-HNNXBMFYSA-N 1 0 336.298 4.698 10 0 EJAERO Cc1ccc(Sc2cc(Br)ccc2CC[NH3+])c(C)c1 ZINC000104294981 219372117 /nfs/dbraw/zinc/37/21/17/219372117.db2.gz VLBHRJAKTMUFMZ-UHFFFAOYSA-N 1 0 336.298 4.718 10 0 EJAERO C[C@H]([NH3+])Cc1cc(F)ccc1Sc1cccc(Br)c1 ZINC000104434730 219386755 /nfs/dbraw/zinc/38/67/55/219386755.db2.gz XVLIKVFBMDQPDQ-JTQLQIEISA-N 1 0 340.261 4.629 10 0 EJAERO CCC[NH2+][C@H](C)c1ccc(SCCCOC)c(Br)c1 ZINC000104439390 219386957 /nfs/dbraw/zinc/38/69/57/219386957.db2.gz CCKGPLTTYOYKSY-GFCCVEGCSA-N 1 0 346.334 4.638 10 0 EJAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(Br)c1 ZINC000104441606 219387500 /nfs/dbraw/zinc/38/75/00/219387500.db2.gz NWGPOPQEJUGMGX-BXUZGUMPSA-N 1 0 328.294 4.791 10 0 EJAERO [NH3+]CCc1c(Cl)cccc1Sc1cccc(Br)c1 ZINC000104433348 219387546 /nfs/dbraw/zinc/38/75/46/219387546.db2.gz RCTCLKBRTCSFFJ-UHFFFAOYSA-N 1 0 342.689 4.755 10 0 EJAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040405716 213299032 /nfs/dbraw/zinc/29/90/32/213299032.db2.gz NXZGOMAQFZBFSZ-UHFFFAOYSA-N 1 0 333.888 4.760 10 0 EJAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040405593 213298287 /nfs/dbraw/zinc/29/82/87/213298287.db2.gz HLXODNWUFFIUFG-UHFFFAOYSA-N 1 0 327.859 4.699 10 0 EJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000019873765 202023786 /nfs/dbraw/zinc/02/37/86/202023786.db2.gz ZJJMVNXSZWHXEL-VIFPVBQESA-N 1 0 326.621 4.915 10 0 EJAERO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(Br)s1 ZINC000038002329 213186828 /nfs/dbraw/zinc/18/68/28/213186828.db2.gz GKPIPGBAYRJXOL-JTQLQIEISA-N 1 0 328.250 4.543 10 0 EJAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(Br)s1 ZINC000038001650 213185828 /nfs/dbraw/zinc/18/58/28/213185828.db2.gz QSLSRAZIVLSJNI-SNVBAGLBSA-N 1 0 328.250 4.543 10 0 EJAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000027537226 202156671 /nfs/dbraw/zinc/15/66/71/202156671.db2.gz STRWKUKMGYRLPB-RYUDHWBXSA-N 1 0 337.250 4.671 10 0 EJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037534013 213154147 /nfs/dbraw/zinc/15/41/47/213154147.db2.gz MYHZDTLCPWOVRQ-MRXNPFEDSA-N 1 0 338.676 4.996 10 0 EJAERO CCC[NH2+][C@H](c1ccc(OC)cc1Br)[C@@H](C)CCC ZINC000037445494 213147901 /nfs/dbraw/zinc/14/79/01/213147901.db2.gz GIXNRVSCZVNHCI-LRDDRELGSA-N 1 0 328.294 4.935 10 0 EJAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2Br)c(F)c1 ZINC000037381325 213143116 /nfs/dbraw/zinc/14/31/16/213143116.db2.gz NSTCRSSMIWFCGR-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1cc(F)cc(Br)c1 ZINC000037034366 213131049 /nfs/dbraw/zinc/13/10/49/213131049.db2.gz SKOCLFCBWLMSPT-ZDUSSCGKSA-N 1 0 349.030 4.943 10 0 EJAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(Cl)c1 ZINC000037000376 213129933 /nfs/dbraw/zinc/12/99/33/213129933.db2.gz JHUPOHIVCXKJDF-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccccc1Br ZINC000036936452 213126637 /nfs/dbraw/zinc/12/66/37/213126637.db2.gz WZXAIFGTOYFCJQ-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348376 213085926 /nfs/dbraw/zinc/08/59/26/213085926.db2.gz CGHUXHXBXRMPBO-QHCPKHFHSA-N 1 0 346.474 4.800 10 0 EJAERO CCC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)C1CCC1 ZINC000035572998 213039401 /nfs/dbraw/zinc/03/94/01/213039401.db2.gz PEMKWDSQZRKHNL-CQSZACIVSA-N 1 0 346.696 4.952 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035553547 213037816 /nfs/dbraw/zinc/03/78/16/213037816.db2.gz BTAPMFYMMCUVRR-CYBMUJFWSA-N 1 0 330.678 4.863 10 0 EJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cc(F)cc(Br)c1 ZINC000035537336 213036753 /nfs/dbraw/zinc/03/67/53/213036753.db2.gz VYUNKFTZGQUHKY-OAHLLOKOSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000035538787 213035982 /nfs/dbraw/zinc/03/59/82/213035982.db2.gz HTLGVMZZTZHBKB-INIZCTEOSA-N 1 0 336.298 4.698 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035498120 213031820 /nfs/dbraw/zinc/03/18/20/213031820.db2.gz UCMKFZAOHSYTEO-GFCCVEGCSA-N 1 0 334.641 4.612 10 0 EJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458192 213030492 /nfs/dbraw/zinc/03/04/92/213030492.db2.gz RAPLVFUKTRSUQR-RNCFNFMXSA-N 1 0 334.685 4.808 10 0 EJAERO CCCCC[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458161 213029813 /nfs/dbraw/zinc/02/98/13/213029813.db2.gz NVRNUMBUJCGPMG-CYBMUJFWSA-N 1 0 334.685 4.952 10 0 EJAERO COc1ccc([C@H](C)[NH2+]CC2CCCCC2)cc1Br ZINC000035044173 213005541 /nfs/dbraw/zinc/00/55/41/213005541.db2.gz HFOMOGWLTZFNBX-LBPRGKRZSA-N 1 0 326.278 4.689 10 0 EJAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC ZINC000035256872 213015918 /nfs/dbraw/zinc/01/59/18/213015918.db2.gz ATNGEWJASJGURP-WFASDCNBSA-N 1 0 326.278 4.516 10 0 EJAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2Br)C1 ZINC000035722115 213047969 /nfs/dbraw/zinc/04/79/69/213047969.db2.gz VLLIKSHLPFNGFG-LALPHHSUSA-N 1 0 328.319 4.695 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035498128 202303999 /nfs/dbraw/zinc/30/39/99/202303999.db2.gz CFMVWKNRQAASOP-LBPRGKRZSA-N 1 0 334.641 4.612 10 0 EJAERO C[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)C1CCCC1 ZINC000035458547 202304462 /nfs/dbraw/zinc/30/44/62/202304462.db2.gz VREDPJSSEWMHLJ-CYBMUJFWSA-N 1 0 332.669 4.562 10 0 EJAERO CC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)[C@H](C)CC ZINC000035509813 202305685 /nfs/dbraw/zinc/30/56/85/202305685.db2.gz CHEFLDBONNCTNA-NOZJJQNGSA-N 1 0 334.685 4.808 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035553117 202306289 /nfs/dbraw/zinc/30/62/89/202306289.db2.gz BNLZMFIUCJOSOV-CYBMUJFWSA-N 1 0 330.678 4.863 10 0 EJAERO Cc1ccc(CNc2nc(Nc3cc[nH+]cc3)nc3ccccc32)cc1 ZINC000072260654 216085946 /nfs/dbraw/zinc/08/59/46/216085946.db2.gz OXXLBNNVTMYDQK-UHFFFAOYSA-N 1 0 341.418 4.689 10 0 EJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000038002918 213187295 /nfs/dbraw/zinc/18/72/95/213187295.db2.gz NBMVAPLAUGCLJK-ZYHUDNBSSA-N 1 0 338.270 4.685 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1Cl ZINC000020926597 212188943 /nfs/dbraw/zinc/18/89/43/212188943.db2.gz WIBUSYOILKSRLV-UHFFFAOYSA-N 1 0 334.287 4.687 10 0 EJAERO COc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000020928619 212188955 /nfs/dbraw/zinc/18/89/55/212188955.db2.gz WKYXGURICMBWAP-UHFFFAOYSA-N 1 0 344.669 4.988 10 0 EJAERO CCCOc1ccc(C[NH2+]Cc2cccs2)cc1Br ZINC000020925903 212188958 /nfs/dbraw/zinc/18/89/58/212188958.db2.gz BMGHZALXEYEPAW-UHFFFAOYSA-N 1 0 340.286 4.589 10 0 EJAERO COc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000020928484 212187555 /nfs/dbraw/zinc/18/75/55/212187555.db2.gz KEXJQYGAFXPFEG-UHFFFAOYSA-N 1 0 349.261 4.816 10 0 EJAERO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874977 212180122 /nfs/dbraw/zinc/18/01/22/212180122.db2.gz DVWAASINMKFBPF-UHFFFAOYSA-N 1 0 333.859 4.736 10 0 EJAERO COc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000020873680 212179507 /nfs/dbraw/zinc/17/95/07/212179507.db2.gz UVLXJFXCVHNSPB-UHFFFAOYSA-N 1 0 347.458 4.872 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000020476786 212135858 /nfs/dbraw/zinc/13/58/58/212135858.db2.gz CABXCNKULKXTBA-UHFFFAOYSA-N 1 0 342.241 4.864 10 0 EJAERO [NH3+][C@@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971835 212092846 /nfs/dbraw/zinc/09/28/46/212092846.db2.gz USLKAHRLHWXISJ-AWEZNQCLSA-N 1 0 344.174 4.710 10 0 EJAERO [NH3+][C@H](c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000019968859 212091381 /nfs/dbraw/zinc/09/13/81/212091381.db2.gz BWFAAXJYEHSIRA-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019512967 212034544 /nfs/dbraw/zinc/03/45/44/212034544.db2.gz IHOOLXNVFUMOJV-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1Br)c1cccs1 ZINC000043107805 204212863 /nfs/dbraw/zinc/21/28/63/204212863.db2.gz JANAUERBWQPSNN-RISCZKNCSA-N 1 0 344.249 4.507 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1F)c1cccs1 ZINC000043110629 204214814 /nfs/dbraw/zinc/21/48/14/204214814.db2.gz JDIYWRNFEJVCBX-BXUZGUMPSA-N 1 0 344.249 4.507 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1ccc(Br)cc1 ZINC000042957521 204183670 /nfs/dbraw/zinc/18/36/70/204183670.db2.gz WXZSMGDFPVNDJD-MAZHCROVSA-N 1 0 328.294 4.679 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1Br)c1cccc(F)c1 ZINC000042974648 204191865 /nfs/dbraw/zinc/19/18/65/204191865.db2.gz MHPHYSPISQFKKY-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000043017500 204195763 /nfs/dbraw/zinc/19/57/63/204195763.db2.gz PTFTXPJSCDONAS-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000043024877 204197153 /nfs/dbraw/zinc/19/71/53/204197153.db2.gz RALSUMBALVBCEM-AWEZNQCLSA-N 1 0 344.224 4.519 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000043022696 204202057 /nfs/dbraw/zinc/20/20/57/204202057.db2.gz UGVBNXKBWPEWBN-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO CCC[NH2+][C@@H](C)[C@@H](CC)CCOc1ccc(Br)cc1 ZINC000111726678 220185130 /nfs/dbraw/zinc/18/51/30/220185130.db2.gz ZUOQZMYOJAUTLH-KBPBESRZSA-N 1 0 328.294 4.632 10 0 EJAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000111817797 220197681 /nfs/dbraw/zinc/19/76/81/220197681.db2.gz QINLPOWRPOONJA-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013721693 211620693 /nfs/dbraw/zinc/62/06/93/211620693.db2.gz WWPITXQPMSWILO-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO [NH3+]Cc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000011851498 211259401 /nfs/dbraw/zinc/25/94/01/211259401.db2.gz AHAPQRQQHVVWIH-UHFFFAOYSA-N 1 0 345.265 4.698 10 0 EJAERO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1ccccc1Cl ZINC000010435895 211172614 /nfs/dbraw/zinc/17/26/14/211172614.db2.gz QSWXSUOYNJFDNV-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474916 563648083 /nfs/dbraw/zinc/64/80/83/563648083.db2.gz DYLZYPWPAFYTNK-CQSZACIVSA-N 1 0 348.284 4.916 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2OC)cc1Cl ZINC000013720838 563716376 /nfs/dbraw/zinc/71/63/76/563716376.db2.gz UHJJOFKOQGLPON-UHFFFAOYSA-N 1 0 340.250 4.691 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013721562 563716810 /nfs/dbraw/zinc/71/68/10/563716810.db2.gz JQKLHUVBWRBOEK-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000013725000 563718381 /nfs/dbraw/zinc/71/83/81/563718381.db2.gz SNQJOCDHVFMUAC-UHFFFAOYSA-N 1 0 327.468 4.595 10 0 EJAERO OCCCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013726887 563718741 /nfs/dbraw/zinc/71/87/41/563718741.db2.gz GUTKIELUIMJRJO-UHFFFAOYSA-N 1 0 349.474 4.671 10 0 EJAERO CCC[C@]1([NH+]2CCCCCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265650 563986882 /nfs/dbraw/zinc/98/68/82/563986882.db2.gz RPEWBMLHYAYADN-FQEVSTJZSA-N 1 0 338.536 4.822 10 0 EJAERO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C(C)C)c1 ZINC000034659942 564050287 /nfs/dbraw/zinc/05/02/87/564050287.db2.gz QPDSWGTYSAIKEJ-UHFFFAOYSA-N 1 0 348.284 4.835 10 0 EJAERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000536959195 564091782 /nfs/dbraw/zinc/09/17/82/564091782.db2.gz PPDCNABLZCPJDS-GOSISDBHSA-N 1 0 341.451 4.847 10 0 EJAERO CC[N@H+](CC(C)C)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952226 564177049 /nfs/dbraw/zinc/17/70/49/564177049.db2.gz BBVKYKCGPFSWGU-LJQANCHMSA-N 1 0 326.525 4.534 10 0 EJAERO Cc1nc(-c2ccccc2Br)sc1C[NH2+]CC(C)C ZINC000052331346 214126333 /nfs/dbraw/zinc/12/63/33/214126333.db2.gz BYDZCMFXTMSEDD-UHFFFAOYSA-N 1 0 339.302 4.627 10 0 EJAERO CC(C)[NH2+]CCC[C@H](C)Oc1ccc(Br)cc1Cl ZINC000052694416 214140031 /nfs/dbraw/zinc/14/00/31/214140031.db2.gz SOQOJFYOJJDRPF-NSHDSACASA-N 1 0 334.685 4.648 10 0 EJAERO CC(C)[NH2+]CCC[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000052694414 214140311 /nfs/dbraw/zinc/14/03/11/214140311.db2.gz SOQOJFYOJJDRPF-LLVKDONJSA-N 1 0 334.685 4.648 10 0 EJAERO C[C@H]([NH3+])c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000052924539 214154772 /nfs/dbraw/zinc/15/47/72/214154772.db2.gz RPDXCJSDYPDIPY-ZETCQYMHSA-N 1 0 334.135 4.748 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000053823531 214200715 /nfs/dbraw/zinc/20/07/15/214200715.db2.gz BVGBXZVFRHPNLR-GFCCVEGCSA-N 1 0 330.678 4.667 10 0 EJAERO [NH3+][C@@H](Cc1cc(Br)cs1)c1cccc2ccccc21 ZINC000054439001 214238425 /nfs/dbraw/zinc/23/84/25/214238425.db2.gz RDNROYJUOBWKTP-INIZCTEOSA-N 1 0 332.266 4.906 10 0 EJAERO [NH3+][C@H](Cc1cc(Br)cs1)c1cccc2ccccc21 ZINC000054438998 214238594 /nfs/dbraw/zinc/23/85/94/214238594.db2.gz RDNROYJUOBWKTP-MRXNPFEDSA-N 1 0 332.266 4.906 10 0 EJAERO [NH3+][C@@H](Cc1cc(Br)cs1)c1ccc(F)c(Cl)c1 ZINC000062792278 214732559 /nfs/dbraw/zinc/73/25/59/214732559.db2.gz GYFHONRGFWTPSS-LBPRGKRZSA-N 1 0 334.641 4.546 10 0 EJAERO Fc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3[nH]ccc3c2)cc1 ZINC000055254630 214296786 /nfs/dbraw/zinc/29/67/86/214296786.db2.gz HVTZJQJABQDHMZ-UHFFFAOYSA-N 1 0 345.421 4.904 10 0 EJAERO C[C@H]([NH3+])c1ccc(Sc2cccc(Br)c2)c(F)c1 ZINC000055308049 214303915 /nfs/dbraw/zinc/30/39/15/214303915.db2.gz YSWWQKQFLIMZTE-VIFPVBQESA-N 1 0 326.234 4.759 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccc(F)cc1 ZINC000055307508 214304518 /nfs/dbraw/zinc/30/45/18/214304518.db2.gz QNBRSHLWGVQRFI-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049515586 214014056 /nfs/dbraw/zinc/01/40/56/214014056.db2.gz ACDIVWWBTZHFHQ-ONGXEEELSA-N 1 0 325.275 4.626 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(CC)s1 ZINC000035537817 201721966 /nfs/dbraw/zinc/72/19/66/201721966.db2.gz GISBNKOWIQIGFA-OAHLLOKOSA-N 1 0 338.314 4.966 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1ccccc1Cl ZINC000043087116 213557013 /nfs/dbraw/zinc/55/70/13/213557013.db2.gz LYLLWHHJFWPEJU-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(Br)cc2F)o1 ZINC000103933205 219330401 /nfs/dbraw/zinc/33/04/01/219330401.db2.gz QPGDQPHYPCLHDL-ZDUSSCGKSA-N 1 0 326.209 4.909 10 0 EJAERO CCC[NH2+][C@H](Cc1ccc(F)c(Br)c1)c1ccsc1 ZINC000103932375 219330414 /nfs/dbraw/zinc/33/04/14/219330414.db2.gz XOORRYLQQJKHLX-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO C[C@]([NH3+])(c1cccc(Cl)c1Cl)c1ccccc1Br ZINC000103948039 219332005 /nfs/dbraw/zinc/33/20/05/219332005.db2.gz ICSGBOOAZRLLKP-CQSZACIVSA-N 1 0 345.067 4.978 10 0 EJAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1Cc1ccc(F)cc1Br ZINC000103950890 219332332 /nfs/dbraw/zinc/33/23/32/219332332.db2.gz FHURUPPXJYOHES-AXAPSJFSSA-N 1 0 328.269 4.545 10 0 EJAERO CCC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(F)cc1 ZINC000103929473 219330189 /nfs/dbraw/zinc/33/01/89/219330189.db2.gz LQMPTYZZIUXZLJ-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO CC[NH+]1CCC([C@@H](C)Nc2cc(Br)ccc2Cl)CC1 ZINC000103990915 219336450 /nfs/dbraw/zinc/33/64/50/219336450.db2.gz KXDMQDGPBOEZRU-LLVKDONJSA-N 1 0 345.712 4.635 10 0 EJAERO Fc1ccc(C[NH+]2CCC3(CCCC3)CC2)c(Br)c1 ZINC000103984145 219336531 /nfs/dbraw/zinc/33/65/31/219336531.db2.gz WHDHYLKIWMDFDF-UHFFFAOYSA-N 1 0 326.253 4.744 10 0 EJAERO CC(C)[NH2+]CC1(Cc2cc(F)ccc2Br)CCCC1 ZINC000104000912 219336846 /nfs/dbraw/zinc/33/68/46/219336846.db2.gz BMQSNLMHNCRLHH-UHFFFAOYSA-N 1 0 328.269 4.689 10 0 EJAERO C[C@@H]1CCC[C@@H]([NH2+]CCSc2cccc(Br)c2)C1 ZINC000104001441 219336866 /nfs/dbraw/zinc/33/68/66/219336866.db2.gz MKRYAPGTLNZQAI-TZMCWYRMSA-N 1 0 328.319 4.710 10 0 EJAERO CCC[NH2+]C[C@@H](Cc1ccc(F)cc1Br)CC(C)C ZINC000103999262 219337257 /nfs/dbraw/zinc/33/72/57/219337257.db2.gz IQTSNLCVRRQLGQ-CYBMUJFWSA-N 1 0 330.285 4.793 10 0 EJAERO CC[C@](C)(CCOc1ccc(Br)cc1)C[NH2+]C(C)C ZINC000104007611 219338109 /nfs/dbraw/zinc/33/81/09/219338109.db2.gz IYSREASMESHWLE-MRXNPFEDSA-N 1 0 328.294 4.632 10 0 EJAERO CC[C@@H]([NH3+])Cc1cccc(Br)c1OCCC(C)(C)C ZINC000104030943 219339879 /nfs/dbraw/zinc/33/98/79/219339879.db2.gz QZYSADUAMNFJKA-CYBMUJFWSA-N 1 0 328.294 4.544 10 0 EJAERO CC[C@H]([NH3+])Cc1cccc(Br)c1OCCC(C)(C)C ZINC000104030937 219340358 /nfs/dbraw/zinc/34/03/58/219340358.db2.gz QZYSADUAMNFJKA-ZDUSSCGKSA-N 1 0 328.294 4.544 10 0 EJAERO CCC[C@@H](CC)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000103976658 219335315 /nfs/dbraw/zinc/33/53/15/219335315.db2.gz CLHXBBCITYSLNG-UKRRQHHQSA-N 1 0 326.278 4.831 10 0 EJAERO CCC[NH2+][C@H](Cc1cccs1)c1ccc(Br)c(F)c1 ZINC000104169386 219354882 /nfs/dbraw/zinc/35/48/82/219354882.db2.gz RSDQDMWZHJACDN-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO CC[C@H]1CCCC[C@H]1Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104179889 219355377 /nfs/dbraw/zinc/35/53/77/219355377.db2.gz IWZWELGCMVMJCX-TYNCELHUSA-N 1 0 326.278 4.816 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000104173450 219355548 /nfs/dbraw/zinc/35/55/48/219355548.db2.gz VCNKMRYXXOVTDR-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC(C)C)c(Br)c1 ZINC000104179895 219355971 /nfs/dbraw/zinc/35/59/71/219355971.db2.gz YQISDBHQANPTKS-STQMWFEESA-N 1 0 328.294 4.933 10 0 EJAERO C[NH2+]C[C@H](CCc1cccs1)Cc1ccc(Br)cc1 ZINC000104273662 219368583 /nfs/dbraw/zinc/36/85/83/219368583.db2.gz HXRKAVIJBHDOKT-CQSZACIVSA-N 1 0 338.314 4.522 10 0 EJAERO CC[NH2+][C@@H](CCc1cccs1)Cc1ccccc1Br ZINC000104281460 219369360 /nfs/dbraw/zinc/36/93/60/219369360.db2.gz VXIUZMPUCNZMMA-AWEZNQCLSA-N 1 0 338.314 4.664 10 0 EJAERO [NH3+]CCc1ccc(Br)cc1Sc1ccccc1Cl ZINC000104294957 219371654 /nfs/dbraw/zinc/37/16/54/219371654.db2.gz YHWRBNLJZFORIN-UHFFFAOYSA-N 1 0 342.689 4.755 10 0 EJAERO [NH3+]Cc1ccc(Br)cc1Sc1ccc2c(c1)CCC2 ZINC000104295823 219371980 /nfs/dbraw/zinc/37/19/80/219371980.db2.gz QOLHLSPYOFZQCW-UHFFFAOYSA-N 1 0 334.282 4.548 10 0 EJAERO CC[NH2+][C@@H](c1sccc1Br)c1cc(C)ccc1OC ZINC000104292638 219370557 /nfs/dbraw/zinc/37/05/57/219370557.db2.gz XAZRSPTYGINJGR-CQSZACIVSA-N 1 0 340.286 4.527 10 0 EJAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000104293893 219370663 /nfs/dbraw/zinc/37/06/63/219370663.db2.gz WEMJVQNPEISKPW-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO COc1ccc2[nH]cc(CC3CC[NH+](CCc4ccccc4)CC3)c2c1 ZINC000002026475 209812672 /nfs/dbraw/zinc/81/26/72/209812672.db2.gz PYEDEFVEZAVWTQ-UHFFFAOYSA-N 1 0 348.490 4.674 10 0 EJAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040405565 213299311 /nfs/dbraw/zinc/29/93/11/213299311.db2.gz BUDHHOYZGXHACY-UHFFFAOYSA-N 1 0 341.886 4.622 10 0 EJAERO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873913 202057336 /nfs/dbraw/zinc/05/73/36/202057336.db2.gz LCCRGDSINCABEX-UHFFFAOYSA-N 1 0 347.458 4.872 10 0 EJAERO CCCCOCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000020930834 202059018 /nfs/dbraw/zinc/05/90/18/202059018.db2.gz NTILBCODEPUCLV-UHFFFAOYSA-N 1 0 329.484 4.925 10 0 EJAERO CCc1ncc(C[NH2+][C@@H](CC)c2ccc(Br)cc2)s1 ZINC000037924254 202063523 /nfs/dbraw/zinc/06/35/23/202063523.db2.gz CQPOZEXXMXZNNT-AWEZNQCLSA-N 1 0 339.302 4.709 10 0 EJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000038002917 202081532 /nfs/dbraw/zinc/08/15/32/202081532.db2.gz NBMVAPLAUGCLJK-CMPLNLGQSA-N 1 0 338.270 4.685 10 0 EJAERO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002696 213187771 /nfs/dbraw/zinc/18/77/71/213187771.db2.gz KYYVLZBKKFCZLR-ZJUUUORDSA-N 1 0 330.316 4.854 10 0 EJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000037377878 213143124 /nfs/dbraw/zinc/14/31/24/213143124.db2.gz DQPIXQMLZDAJBJ-CYBMUJFWSA-N 1 0 349.030 4.943 10 0 EJAERO CC[C@H](C)[N@H+](CC)CCCC(=O)c1ccc(Br)cc1 ZINC000037323247 213140787 /nfs/dbraw/zinc/14/07/87/213140787.db2.gz ODMIWMUCQWJLOS-ZDUSSCGKSA-N 1 0 326.278 4.532 10 0 EJAERO [NH3+][C@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000036961807 213127342 /nfs/dbraw/zinc/12/73/42/213127342.db2.gz VXTPOGMAONGGIW-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO CC(C)(C)c1csc(C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)n1 ZINC000036280113 213082218 /nfs/dbraw/zinc/08/22/18/213082218.db2.gz NAOVHXPDILKRGA-GFCCVEGCSA-N 1 0 329.296 4.990 10 0 EJAERO CCC[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@@H](C)CCC ZINC000035572531 213039032 /nfs/dbraw/zinc/03/90/32/213039032.db2.gz IFZVEYRAZWDCDX-LRDDRELGSA-N 1 0 328.294 4.935 10 0 EJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(Br)cc1F ZINC000035537536 213036795 /nfs/dbraw/zinc/03/67/95/213036795.db2.gz HXLOKPSYSDPWCZ-OAHLLOKOSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(Br)c1 ZINC000035508147 213034209 /nfs/dbraw/zinc/03/42/09/213034209.db2.gz OVAFYJRCPBLJIS-CQSZACIVSA-N 1 0 340.286 4.527 10 0 EJAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501447 213032883 /nfs/dbraw/zinc/03/28/83/213032883.db2.gz VJOIBGQCOXPCKH-GFCCVEGCSA-N 1 0 335.028 4.658 10 0 EJAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(Br)ccc1F ZINC000035497573 213032902 /nfs/dbraw/zinc/03/29/02/213032902.db2.gz FTOLDBPIDLUKFV-CQSZACIVSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(F)ccc1Br ZINC000035497802 213032922 /nfs/dbraw/zinc/03/29/22/213032922.db2.gz DYSWVENQUCYMMJ-CQSZACIVSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000035498382 213032698 /nfs/dbraw/zinc/03/26/98/213032698.db2.gz GQAXZFICBQZTJZ-NSHDSACASA-N 1 0 330.678 4.667 10 0 EJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458198 213029695 /nfs/dbraw/zinc/02/96/95/213029695.db2.gz RAPLVFUKTRSUQR-NOZJJQNGSA-N 1 0 334.685 4.808 10 0 EJAERO CCc1ccc([C@@H]([NH2+]C)c2cc(F)cc(Br)c2)s1 ZINC000035460591 213029792 /nfs/dbraw/zinc/02/97/92/213029792.db2.gz RIRMRVALEKMVGR-AWEZNQCLSA-N 1 0 328.250 4.521 10 0 EJAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Br)ccc1Cl ZINC000035463555 202304578 /nfs/dbraw/zinc/30/45/78/202304578.db2.gz RMQZOTYEHSYXQO-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(F)cc2Br)s1 ZINC000035461194 202304587 /nfs/dbraw/zinc/30/45/87/202304587.db2.gz JFKANQHSFPXSDL-AWEZNQCLSA-N 1 0 328.250 4.521 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1Br ZINC000035464676 202304944 /nfs/dbraw/zinc/30/49/44/202304944.db2.gz AVENXKHYXKWCJY-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CC[NH2+][C@@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035545288 202305767 /nfs/dbraw/zinc/30/57/67/202305767.db2.gz RLEPFDIGCVPSBQ-CYBMUJFWSA-N 1 0 330.678 4.863 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000035575130 202306724 /nfs/dbraw/zinc/30/67/24/202306724.db2.gz PUDLTLULTQPKEL-CQSZACIVSA-N 1 0 328.637 4.785 10 0 EJAERO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656508 202369922 /nfs/dbraw/zinc/36/99/22/202369922.db2.gz WVIAQSOYILFTJV-IEBWSBKVSA-N 1 0 346.515 4.687 10 0 EJAERO Cc1ccccc1-c1nc2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404237 202437948 /nfs/dbraw/zinc/43/79/48/202437948.db2.gz SWFSJNHQFLNAKP-UHFFFAOYSA-N 1 0 327.859 4.617 10 0 EJAERO C[C@@H]([NH3+])[C@H](SC1CCCCC1)c1ccccc1Br ZINC000043096372 202507122 /nfs/dbraw/zinc/50/71/22/202507122.db2.gz OKDWTBGNFUJEHU-ABAIWWIYSA-N 1 0 328.319 4.903 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4ccccc4F)cc3)oc2cc1C ZINC000226307620 242096972 /nfs/dbraw/zinc/09/69/72/242096972.db2.gz UZJWMWXUEWRCFP-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO CC(C)c1ccc(-n2cc(C[NH3+])c(-c3cc4ccccc4o3)n2)cc1 ZINC000020390897 212124328 /nfs/dbraw/zinc/12/43/28/212124328.db2.gz XOCLYMOVDRXDFZ-UHFFFAOYSA-N 1 0 331.419 4.868 10 0 EJAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(F)c1 ZINC000020147992 212106783 /nfs/dbraw/zinc/10/67/83/212106783.db2.gz UQWDDHVUIQAPHH-SNVBAGLBSA-N 1 0 326.184 4.578 10 0 EJAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(F)c1 ZINC000020147993 212106876 /nfs/dbraw/zinc/10/68/76/212106876.db2.gz UQWDDHVUIQAPHH-JTQLQIEISA-N 1 0 326.184 4.578 10 0 EJAERO [NH3+][C@@H](c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971857 212092456 /nfs/dbraw/zinc/09/24/56/212092456.db2.gz REIWOPUUHGHGEB-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000019873458 212078840 /nfs/dbraw/zinc/07/88/40/212078840.db2.gz PKWUSURTDPYXQX-QMMMGPOBSA-N 1 0 328.156 4.539 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000019804121 212071062 /nfs/dbraw/zinc/07/10/62/212071062.db2.gz XSBKAIUFLOHKSO-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO Brc1csc(CC2(C[NH2+]C3CC3)CCCCC2)c1 ZINC000104007513 204093589 /nfs/dbraw/zinc/09/35/89/204093589.db2.gz DIWKCKYMFRJRDG-UHFFFAOYSA-N 1 0 328.319 4.756 10 0 EJAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1sccc1Br ZINC000104290370 204104145 /nfs/dbraw/zinc/10/41/45/204104145.db2.gz JLHDYAIGXQRFQV-NSHDSACASA-N 1 0 334.641 4.546 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000042948127 204181818 /nfs/dbraw/zinc/18/18/18/204181818.db2.gz JTLQECXGQNHXQB-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1ccc(Br)cc1 ZINC000042958768 204183170 /nfs/dbraw/zinc/18/31/70/204183170.db2.gz IIBNGNWFDWCEMI-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1cccc(S[C@@H](c2cccc(Br)c2)[C@@H](C)[NH3+])c1 ZINC000043025200 204198593 /nfs/dbraw/zinc/19/85/93/204198593.db2.gz PQDKTCLJBXDQMG-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000111817799 204373961 /nfs/dbraw/zinc/37/39/61/204373961.db2.gz QINLPOWRPOONJA-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO C[C@@H]([NH3+])[C@@H](SCc1ccccc1)c1ccccc1Br ZINC000043095733 213560268 /nfs/dbraw/zinc/56/02/68/213560268.db2.gz CWBATUIEXJHTHB-MLGOLLRUSA-N 1 0 336.298 4.771 10 0 EJAERO Cc1cccc(S[C@H](c2ccccc2Br)[C@@H](C)[NH3+])c1 ZINC000043096442 213560711 /nfs/dbraw/zinc/56/07/11/213560711.db2.gz NUSNECTXELWPHR-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO CCC[NH2+]Cc1ccc(OC[C@@H](C)CCC)c(Br)c1 ZINC000103967820 206479208 /nfs/dbraw/zinc/47/92/08/206479208.db2.gz CZGLAPRHWYSKAY-ZDUSSCGKSA-N 1 0 328.294 4.764 10 0 EJAERO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000010436162 206672876 /nfs/dbraw/zinc/67/28/76/206672876.db2.gz MZGDXASLUJULNN-UHFFFAOYSA-N 1 0 337.822 4.565 10 0 EJAERO COc1cc(Cl)cc(C[NH2+]C(C)(C)C)c1OCc1ccccc1 ZINC000010436526 211172275 /nfs/dbraw/zinc/17/22/75/211172275.db2.gz RSOVGRLAPPWHEV-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cc1OC ZINC000036992438 525162254 /nfs/dbraw/zinc/16/22/54/525162254.db2.gz BUTADGDQQJSSBD-GHMZBOCLSA-N 1 0 325.861 4.831 10 0 EJAERO CCc1ccc2oc(-c3cc[n+](Cc4ccc(F)cc4)cc3)nc2c1 ZINC000226307507 535833380 /nfs/dbraw/zinc/83/33/80/535833380.db2.gz DEOGGJMRKOQESA-UHFFFAOYSA-N 1 0 333.386 4.532 10 0 EJAERO CN1C=CC(=C/C=C\c2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000005488350 536328547 /nfs/dbraw/zinc/32/85/47/536328547.db2.gz ULTVUCOGNXMRJB-UHFFFAOYSA-N 1 0 325.435 4.725 10 0 EJAERO CC1CCC(CC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000395002340 568417176 /nfs/dbraw/zinc/41/71/76/568417176.db2.gz FIARNQSWVOPHCI-UHFFFAOYSA-N 1 0 328.269 4.894 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000013725993 563718421 /nfs/dbraw/zinc/71/84/21/563718421.db2.gz LQOAGCFFSTWNIA-HNNXBMFYSA-N 1 0 347.886 4.858 10 0 EJAERO COc1ccc(C[NH2+]CCC2CCC(C)CC2)cc1Br ZINC000070547612 563920536 /nfs/dbraw/zinc/92/05/36/563920536.db2.gz VCKNIVNUGFKTBC-UHFFFAOYSA-N 1 0 340.305 4.764 10 0 EJAERO COc1ccc(C[NH2+]Cc2c(OC(C)C)ccc3ccccc32)cc1 ZINC000040729691 563923563 /nfs/dbraw/zinc/92/35/63/563923563.db2.gz PFZQJWZUYVDFJM-UHFFFAOYSA-N 1 0 335.447 4.925 10 0 EJAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1F ZINC000013729865 564020653 /nfs/dbraw/zinc/02/06/53/564020653.db2.gz GNRBOKFCQMYHBQ-UHFFFAOYSA-N 1 0 331.431 4.692 10 0 EJAERO CCOc1ccc(C)cc1[C@@H]([NH2+]C)c1ccc(Br)s1 ZINC000051599233 214098437 /nfs/dbraw/zinc/09/84/37/214098437.db2.gz PZQRRHOOCNMXLW-OAHLLOKOSA-N 1 0 340.286 4.527 10 0 EJAERO C[C@@H]([NH3+])c1cc(Br)ccc1OCc1ccccc1Cl ZINC000052066567 214115496 /nfs/dbraw/zinc/11/54/96/214115496.db2.gz ASIMRBIZHPKAEV-SNVBAGLBSA-N 1 0 340.648 4.701 10 0 EJAERO Cc1ccc(O[C@@H](C)CCC[NH2+]C(C)(C)C)c(Br)c1 ZINC000052692930 214140211 /nfs/dbraw/zinc/14/02/11/214140211.db2.gz PTZTUYQVIQRBEO-ZDUSSCGKSA-N 1 0 328.294 4.693 10 0 EJAERO [NH3+]C[C@@H](Cc1ccc(Cl)s1)Cc1ccc(Br)cc1 ZINC000052947646 214156223 /nfs/dbraw/zinc/15/62/23/214156223.db2.gz UIBVEVYXKNBYAX-LLVKDONJSA-N 1 0 344.705 4.524 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)c1cccc(F)c1 ZINC000053789980 214199323 /nfs/dbraw/zinc/19/93/23/214199323.db2.gz LNHLJIALWOIFRO-ZDUSSCGKSA-N 1 0 328.250 4.543 10 0 EJAERO [NH3+][C@H](Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000054440483 214239057 /nfs/dbraw/zinc/23/90/57/214239057.db2.gz BTDHMUKQGTYVEC-OAHLLOKOSA-N 1 0 332.266 4.906 10 0 EJAERO Cc1ccccc1CS[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000054963950 214260518 /nfs/dbraw/zinc/26/05/18/214260518.db2.gz HSIOZEFUHPRNAP-MRXNPFEDSA-N 1 0 336.298 4.691 10 0 EJAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC000055226842 214292316 /nfs/dbraw/zinc/29/23/16/214292316.db2.gz CUVBQSBUVXQTOR-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO Cc1cc(C[NH2+]Cc2cc(F)ccc2Br)c(C)s1 ZINC000049686957 214026389 /nfs/dbraw/zinc/02/63/89/214026389.db2.gz FNZPSUIVPUATKV-UHFFFAOYSA-N 1 0 328.250 4.556 10 0 EJAERO C[C@H]([NH3+])c1ccc(Sc2cc(F)ccc2F)c(Br)c1 ZINC000061700203 214672759 /nfs/dbraw/zinc/67/27/59/214672759.db2.gz UJLSFLPBDVODKQ-QMMMGPOBSA-N 1 0 344.224 4.898 10 0 EJAERO COc1ccc([C@@H]([NH3+])C[C@H](C)CC(C)(C)C)cc1Br ZINC000036889608 201808468 /nfs/dbraw/zinc/80/84/68/201808468.db2.gz HNHCFSGZRXHCTD-FZMZJTMJSA-N 1 0 328.294 4.920 10 0 EJAERO Cc1ccccc1S[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043025061 213553884 /nfs/dbraw/zinc/55/38/84/213553884.db2.gz NTOUXGNBLLDSOL-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1cccs1)c1cccc(Br)c1 ZINC000043024746 213553687 /nfs/dbraw/zinc/55/36/87/213553687.db2.gz YAXYIMDNXHEWNP-TVQRCGJNSA-N 1 0 328.300 4.691 10 0 EJAERO Cc1ccc(S[C@@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])cc1 ZINC000042958750 213546213 /nfs/dbraw/zinc/54/62/13/213546213.db2.gz BPKUTNJOJNASTD-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO [NH3+]C[C@H](Sc1ccccc1Br)c1ccc(Cl)cc1 ZINC000042950897 213545071 /nfs/dbraw/zinc/54/50/71/213545071.db2.gz PAOBQNYDQUSWFS-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1 ZINC000103940737 219331536 /nfs/dbraw/zinc/33/15/36/219331536.db2.gz NAFPZSHUEIEBNX-AWEZNQCLSA-N 1 0 342.277 4.851 10 0 EJAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC000103951482 219331732 /nfs/dbraw/zinc/33/17/32/219331732.db2.gz KKLVDCOJUZUTOF-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO C[C@@]([NH3+])(Cc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000103937730 219330281 /nfs/dbraw/zinc/33/02/81/219330281.db2.gz MAQPZDHBFCKTBF-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO [NH3+][C@H](Cc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103936394 219330375 /nfs/dbraw/zinc/33/03/75/219330375.db2.gz GNGBLFLQORQTND-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Br)C(C)(C)C ZINC000103984263 219335811 /nfs/dbraw/zinc/33/58/11/219335811.db2.gz ADIMBJOHLXHPTH-YPMHNXCESA-N 1 0 334.685 4.633 10 0 EJAERO CC[C@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Br)C(C)(C)C ZINC000103984260 219336415 /nfs/dbraw/zinc/33/64/15/219336415.db2.gz ADIMBJOHLXHPTH-AAEUAGOBSA-N 1 0 334.685 4.633 10 0 EJAERO CC(C)CCC[NH2+]CCOc1ccc(Br)cc1Cl ZINC000103996921 219336815 /nfs/dbraw/zinc/33/68/15/219336815.db2.gz DWSBIAQVZBJFAN-UHFFFAOYSA-N 1 0 334.685 4.507 10 0 EJAERO CCC[NH2+][C@@H](CC1CC1)c1cc(Cl)cc(Br)c1OC ZINC000104003646 219337700 /nfs/dbraw/zinc/33/77/00/219337700.db2.gz PXUCBAWPRGTRRI-AWEZNQCLSA-N 1 0 346.696 4.952 10 0 EJAERO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)cc2Br)C1 ZINC000104014809 219338835 /nfs/dbraw/zinc/33/88/35/219338835.db2.gz PODYARKYUFGMBN-YPMHNXCESA-N 1 0 346.696 4.650 10 0 EJAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1ccc(Br)cc1F ZINC000104012609 219339390 /nfs/dbraw/zinc/33/93/90/219339390.db2.gz DAXUNZYAYXIQQZ-MRXNPFEDSA-N 1 0 330.285 4.935 10 0 EJAERO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)cc2Br)C1 ZINC000104014814 219339476 /nfs/dbraw/zinc/33/94/76/219339476.db2.gz PODYARKYUFGMBN-DGCLKSJQSA-N 1 0 346.696 4.650 10 0 EJAERO CCC[NH2+]C[C@](C)(CCC)Cc1cc(F)ccc1Br ZINC000104020097 219339983 /nfs/dbraw/zinc/33/99/83/219339983.db2.gz BJUBMMWISYJTFF-MRXNPFEDSA-N 1 0 330.285 4.937 10 0 EJAERO CC[C@@H]([NH2+][C@H]1CCCOc2cc(Br)ccc21)C(C)C ZINC000103969865 219334112 /nfs/dbraw/zinc/33/41/12/219334112.db2.gz HSWCNAYDZCFIAH-CABCVRRESA-N 1 0 326.278 4.687 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)[C@@H](C)CC ZINC000103980424 219335020 /nfs/dbraw/zinc/33/50/20/219335020.db2.gz UXYNFWMYPYBQKL-STQMWFEESA-N 1 0 328.294 4.762 10 0 EJAERO CCC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)CCC ZINC000103976141 219335410 /nfs/dbraw/zinc/33/54/10/219335410.db2.gz RXJZGAGYWOIAKV-ZDUSSCGKSA-N 1 0 328.294 4.764 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000103987495 219335782 /nfs/dbraw/zinc/33/57/82/219335782.db2.gz GIGBRIZJPUZPFT-IUODEOHRSA-N 1 0 326.278 4.516 10 0 EJAERO CCC[C@H](C)COc1ccc(C[C@@H]([NH3+])CC)cc1Br ZINC000104040746 219341657 /nfs/dbraw/zinc/34/16/57/219341657.db2.gz DCABIYVGTGNEHR-JSGCOSHPSA-N 1 0 328.294 4.544 10 0 EJAERO CC(C)C[C@@H]1CSC(N[C@H](C)c2ccc(Br)cc2)=[NH+]1 ZINC000104155972 219355024 /nfs/dbraw/zinc/35/50/24/219355024.db2.gz HTLYLGMNQJLMPW-BXUZGUMPSA-N 1 0 341.318 4.617 10 0 EJAERO CC[C@H]1CCCC[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104179884 219355417 /nfs/dbraw/zinc/35/54/17/219355417.db2.gz IWZWELGCMVMJCX-XUJVJEKNSA-N 1 0 326.278 4.816 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cc(Cl)ccc1F ZINC000104186439 219357303 /nfs/dbraw/zinc/35/73/03/219357303.db2.gz ZZIJYNVKAVXDJL-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+]C[C@@H](CCc1cccs1)Cc1ccccc1Br ZINC000104275616 219369079 /nfs/dbraw/zinc/36/90/79/219369079.db2.gz LFNOTHGLMYLBJM-ZDUSSCGKSA-N 1 0 338.314 4.522 10 0 EJAERO C[C@@H]([NH3+])Cc1ccc(Br)cc1SC1CCCCC1 ZINC000104287858 219370953 /nfs/dbraw/zinc/37/09/53/219370953.db2.gz OENGVZSYCNCTLM-LLVKDONJSA-N 1 0 328.319 4.764 10 0 EJAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(Br)cc2Cl)cc1 ZINC000104296333 219371436 /nfs/dbraw/zinc/37/14/36/219371436.db2.gz SWCPBFSTUIPSHG-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO CCC[NH2+][C@H](c1cc(C)oc1C)c1sccc1Br ZINC000104294036 219372041 /nfs/dbraw/zinc/37/20/41/219372041.db2.gz NMMYKMUEXWHKGY-CYBMUJFWSA-N 1 0 328.275 4.809 10 0 EJAERO CC[C@H]1CCCC[C@@H]1Oc1c(Br)cccc1C[NH2+]C ZINC000104429007 219386287 /nfs/dbraw/zinc/38/62/87/219386287.db2.gz QPAHYYCJRIHMMZ-WFASDCNBSA-N 1 0 326.278 4.516 10 0 EJAERO Cc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2)cc1 ZINC000020873599 202057656 /nfs/dbraw/zinc/05/76/56/202057656.db2.gz WYMLUZDGDQQZBA-UHFFFAOYSA-N 1 0 331.459 4.906 10 0 EJAERO CCCOc1ccc(C[NH2+]C2CCCCC2)cc1Br ZINC000020925788 202058035 /nfs/dbraw/zinc/05/80/35/202058035.db2.gz ZMJZDUPEGMKUCH-UHFFFAOYSA-N 1 0 326.278 4.660 10 0 EJAERO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002698 213187938 /nfs/dbraw/zinc/18/79/38/213187938.db2.gz KYYVLZBKKFCZLR-NXEZZACHSA-N 1 0 330.316 4.854 10 0 EJAERO C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(Br)s1 ZINC000038001702 213186198 /nfs/dbraw/zinc/18/61/98/213186198.db2.gz MRAFSPFTQQAGNW-SNVBAGLBSA-N 1 0 328.250 4.543 10 0 EJAERO CC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)C1CCC1 ZINC000035509884 213035799 /nfs/dbraw/zinc/03/57/99/213035799.db2.gz CFRKQPXOMVCJAD-ZDUSSCGKSA-N 1 0 332.669 4.562 10 0 EJAERO CC[NH2+][C@H](CC(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035509839 213033126 /nfs/dbraw/zinc/03/31/26/213033126.db2.gz FUEZETXZGDFJJF-CYBMUJFWSA-N 1 0 334.685 4.808 10 0 EJAERO CCC[NH2+][C@H](c1cc(Br)ccc1Br)C(C)C ZINC000035578358 213039506 /nfs/dbraw/zinc/03/95/06/213039506.db2.gz YWCPEPVZEVUBGM-ZDUSSCGKSA-N 1 0 349.110 4.908 10 0 EJAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Br)cc2F)s1 ZINC000035460765 202305048 /nfs/dbraw/zinc/30/50/48/202305048.db2.gz BYYYVBRGGBXVGC-AWEZNQCLSA-N 1 0 328.250 4.521 10 0 EJAERO CC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)[C@@H](C)CC ZINC000035509815 202305705 /nfs/dbraw/zinc/30/57/05/202305705.db2.gz CHEFLDBONNCTNA-TVQRCGJNSA-N 1 0 334.685 4.808 10 0 EJAERO C[C@H](Nc1ccc(C[NH+](C)C)cc1)c1sccc1Br ZINC000037318726 213140825 /nfs/dbraw/zinc/14/08/25/213140825.db2.gz HNEUWCNORJDVDT-NSHDSACASA-N 1 0 339.302 4.745 10 0 EJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000037377874 213143346 /nfs/dbraw/zinc/14/33/46/213143346.db2.gz RELBQAOIHVQTCH-CYBMUJFWSA-N 1 0 349.030 4.943 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(OC)cc1Br)[C@H](C)CCC ZINC000037445495 213148293 /nfs/dbraw/zinc/14/82/93/213148293.db2.gz GIXNRVSCZVNHCI-MLGOLLRUSA-N 1 0 328.294 4.935 10 0 EJAERO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002695 213187279 /nfs/dbraw/zinc/18/72/79/213187279.db2.gz KYYVLZBKKFCZLR-UWVGGRQHSA-N 1 0 330.316 4.854 10 0 EJAERO [NH3+]C[C@H](Sc1ccccc1Cl)c1ccc(Br)cc1 ZINC000042958820 202504073 /nfs/dbraw/zinc/50/40/73/202504073.db2.gz DQBHUSPWMUYABV-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO C[C@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023310512 212368308 /nfs/dbraw/zinc/36/83/08/212368308.db2.gz LQELZWQOTKJQRS-CYBMUJFWSA-N 1 0 337.448 4.605 10 0 EJAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C2CC2)cc1 ZINC000020874648 212180954 /nfs/dbraw/zinc/18/09/54/212180954.db2.gz MDDQCHNTAVEVQA-UHFFFAOYSA-N 1 0 346.268 4.589 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](SC1CCCC1)c1cc(Br)cs1 ZINC000062829438 202802284 /nfs/dbraw/zinc/80/22/84/202802284.db2.gz OQSYQPADZOBJLY-DGCLKSJQSA-N 1 0 334.348 4.965 10 0 EJAERO C[NH+](C)CCNc1cc(-c2ccsc2)nc2ccc(Cl)cc21 ZINC000253495152 244003207 /nfs/dbraw/zinc/00/32/07/244003207.db2.gz AHKRGYSQRBXQJG-UHFFFAOYSA-N 1 0 331.872 4.590 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000020476758 212135538 /nfs/dbraw/zinc/13/55/38/212135538.db2.gz HTXSSODXUIZXHT-UHFFFAOYSA-N 1 0 342.241 4.864 10 0 EJAERO [NH3+][C@@H](c1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971875 212092253 /nfs/dbraw/zinc/09/22/53/212092253.db2.gz FXCMNCFCSUVXJQ-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1Cc1ccc(Br)s1 ZINC000103937388 204090871 /nfs/dbraw/zinc/09/08/71/204090871.db2.gz AHJOAQUXGVGQCY-MBNYWOFBSA-N 1 0 330.335 4.858 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000103944688 204091080 /nfs/dbraw/zinc/09/10/80/204091080.db2.gz VXOBSTWUPPMFGL-ZDUSSCGKSA-N 1 0 345.067 4.998 10 0 EJAERO Cc1cccc(S[C@@H](c2ccccc2Br)[C@H](C)[NH3+])c1 ZINC000043096444 204209983 /nfs/dbraw/zinc/20/99/83/204209983.db2.gz NUSNECTXELWPHR-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C)cc1Br)c1cccs1 ZINC000043110372 204214177 /nfs/dbraw/zinc/21/41/77/204214177.db2.gz WXHKADZMKMZNEU-IUODEOHRSA-N 1 0 340.286 4.676 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1ccc(Br)cc1 ZINC000042956690 204182691 /nfs/dbraw/zinc/18/26/91/204182691.db2.gz IAVFTYWQKDANNW-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccc(Br)cc1 ZINC000042958401 204184159 /nfs/dbraw/zinc/18/41/59/204184159.db2.gz AIOYAOBOUWIUQC-BLLLJJGKSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000043017331 204195538 /nfs/dbraw/zinc/19/55/38/204195538.db2.gz IWCUJWQQSJLBCB-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO CC[C@H]([NH3+])[C@@H](OCc1cccs1)c1cccc(Br)c1 ZINC000043024052 204196856 /nfs/dbraw/zinc/19/68/56/204196856.db2.gz KSBPIBPJOSPOQQ-GJZGRUSLSA-N 1 0 340.286 4.506 10 0 EJAERO C[C@@H]([NH3+])[C@H](SCc1ccccc1)c1cccc(Br)c1 ZINC000043024229 204196921 /nfs/dbraw/zinc/19/69/21/204196921.db2.gz HVTPGYFKGDAQNT-WBMJQRKESA-N 1 0 336.298 4.771 10 0 EJAERO CC[C@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(Br)c1 ZINC000043022293 204201906 /nfs/dbraw/zinc/20/19/06/204201906.db2.gz JMGUIFURIXRPLJ-HOTGVXAUSA-N 1 0 326.278 4.577 10 0 EJAERO CC[C@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1ccc(Br)cc1 ZINC000042957512 213545501 /nfs/dbraw/zinc/54/55/01/213545501.db2.gz WXZSMGDFPVNDJD-VBNZEHGJSA-N 1 0 328.294 4.679 10 0 EJAERO [NH3+]C[C@@H](Sc1cc(F)ccc1F)c1cccc(Br)c1 ZINC000043024917 213553377 /nfs/dbraw/zinc/55/33/77/213553377.db2.gz YVLOSRYPAPVXRN-CQSZACIVSA-N 1 0 344.224 4.519 10 0 EJAERO CCC[NH2+][C@@H](C)[C@H](CC)CCOc1ccc(Br)cc1 ZINC000111726681 220186636 /nfs/dbraw/zinc/18/66/36/220186636.db2.gz ZUOQZMYOJAUTLH-UONOGXRCSA-N 1 0 328.294 4.632 10 0 EJAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OC ZINC000013726041 211622031 /nfs/dbraw/zinc/62/20/31/211622031.db2.gz VLGIQBIVNATIFT-OAHLLOKOSA-N 1 0 347.886 4.858 10 0 EJAERO COc1ccc(-c2nc(C[N@H+](C)CC(C)C)c(C)o2)c2ccccc12 ZINC000012055001 211284665 /nfs/dbraw/zinc/28/46/65/211284665.db2.gz WPHKBFUYNLBDDV-UHFFFAOYSA-N 1 0 338.451 4.900 10 0 EJAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cc1OC ZINC000036992437 525334370 /nfs/dbraw/zinc/33/43/70/525334370.db2.gz BUTADGDQQJSSBD-WDEREUQCSA-N 1 0 325.861 4.831 10 0 EJAERO CCOc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)cc1OC ZINC000010436538 563648001 /nfs/dbraw/zinc/64/80/01/563648001.db2.gz FMKDXFIPFBPPDO-UHFFFAOYSA-N 1 0 349.902 4.806 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1Cl ZINC000010475219 563648028 /nfs/dbraw/zinc/64/80/28/563648028.db2.gz MCMAJJNTYBFROJ-UHFFFAOYSA-N 1 0 328.214 4.821 10 0 EJAERO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013719602 563716029 /nfs/dbraw/zinc/71/60/29/563716029.db2.gz DHIAYBRBNNVCSL-UHFFFAOYSA-N 1 0 345.458 4.701 10 0 EJAERO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013719477 563716049 /nfs/dbraw/zinc/71/60/49/563716049.db2.gz ICNQVSMRVGWTLJ-UHFFFAOYSA-N 1 0 327.468 4.562 10 0 EJAERO CCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013729899 563719395 /nfs/dbraw/zinc/71/93/95/563719395.db2.gz OQWUVOXDQWIVPQ-UHFFFAOYSA-N 1 0 331.431 4.693 10 0 EJAERO CC1CCC(CC[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000070538362 563919666 /nfs/dbraw/zinc/91/96/66/563919666.db2.gz NIQUTSWSHGKSMW-UHFFFAOYSA-N 1 0 328.269 4.894 10 0 EJAERO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C(C)C ZINC000034659923 564050291 /nfs/dbraw/zinc/05/02/91/564050291.db2.gz JNGPAIPWQKXUFX-UHFFFAOYSA-N 1 0 348.284 4.835 10 0 EJAERO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C2CC2)c1 ZINC000034660081 564050296 /nfs/dbraw/zinc/05/02/96/564050296.db2.gz GFFITRVYTNPDIV-UHFFFAOYSA-N 1 0 346.268 4.589 10 0 EJAERO Cc1ccc(C[NH2+]C2CC(c3cccc(Br)c3)C2)s1 ZINC000050225257 214050382 /nfs/dbraw/zinc/05/03/82/214050382.db2.gz UFPMRKIRTYPTST-UHFFFAOYSA-N 1 0 336.298 4.855 10 0 EJAERO CC(C)(C)[NH2+]C[C@@H](OC(C)(C)C)c1cccc(Br)c1 ZINC000050483925 214057852 /nfs/dbraw/zinc/05/78/52/214057852.db2.gz VDLAGSHOCRIXLZ-CQSZACIVSA-N 1 0 328.294 4.693 10 0 EJAERO CC(C)CO[C@@H](C[NH2+]C(C)(C)C)c1ccc(Br)cc1 ZINC000050491948 214058105 /nfs/dbraw/zinc/05/81/05/214058105.db2.gz RWHRFIDTINMYAK-HNNXBMFYSA-N 1 0 328.294 4.551 10 0 EJAERO Cc1nc(-c2ccc(Br)cc2)sc1C[NH2+]CC(C)C ZINC000052331262 214125807 /nfs/dbraw/zinc/12/58/07/214125807.db2.gz RXCMGKMHPAFCJV-UHFFFAOYSA-N 1 0 339.302 4.627 10 0 EJAERO CC(C)[NH2+]CCC[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000052692385 214140539 /nfs/dbraw/zinc/14/05/39/214140539.db2.gz ADHGNWQJELLJNQ-LLVKDONJSA-N 1 0 334.685 4.648 10 0 EJAERO NC(=[NH2+])c1c(Cl)cccc1Sc1ccc(Br)cc1 ZINC000052908026 214153073 /nfs/dbraw/zinc/15/30/73/214153073.db2.gz SWDVPMLMEAVKFE-UHFFFAOYSA-N 1 0 341.661 4.538 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000053823530 214200842 /nfs/dbraw/zinc/20/08/42/214200842.db2.gz BVGBXZVFRHPNLR-LBPRGKRZSA-N 1 0 330.678 4.667 10 0 EJAERO CC[NH2+][C@H](Cc1cc(Br)ccc1F)c1ccsc1 ZINC000053822872 214199799 /nfs/dbraw/zinc/19/97/99/214199799.db2.gz UCDUWMWHOUUIRG-CQSZACIVSA-N 1 0 328.250 4.543 10 0 EJAERO CCOc1cc2[nH+]ccc(Nc3ccc(OC)cc3)c2cc1OCC ZINC000054202396 214223755 /nfs/dbraw/zinc/22/37/55/214223755.db2.gz LLARBVSWYSULFS-UHFFFAOYSA-N 1 0 338.407 4.784 10 0 EJAERO CCOc1cc2[nH+]ccc(Nc3ccccc3F)c2cc1OCC ZINC000054202413 214224770 /nfs/dbraw/zinc/22/47/70/214224770.db2.gz DRPHUMBIJCFYKA-UHFFFAOYSA-N 1 0 326.371 4.915 10 0 EJAERO Cc1ccccc1[C@@H](Sc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000055307200 214304007 /nfs/dbraw/zinc/30/40/07/214304007.db2.gz MSKQZWUKLFDNPB-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1cccc(F)c1 ZINC000055307618 214304531 /nfs/dbraw/zinc/30/45/31/214304531.db2.gz GFORSVURXSBSAH-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccsc1[C@H](Oc1ccc(Br)cc1C)[C@@H](C)[NH3+] ZINC000063061693 214742121 /nfs/dbraw/zinc/74/21/21/214742121.db2.gz UPYRIPMWLHYXER-BXUZGUMPSA-N 1 0 340.286 4.595 10 0 EJAERO Cc1cccc(Cl)c1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000003602027 210063434 /nfs/dbraw/zinc/06/34/34/210063434.db2.gz STIWJDAWNRMHAT-WBVHZDCISA-N 1 0 334.891 4.632 10 0 EJAERO Cc1cccc([C@@H](Sc2ccc(Br)cc2)[C@@H](C)[NH3+])c1 ZINC000042970136 213547789 /nfs/dbraw/zinc/54/77/89/213547789.db2.gz AHJPNTYGGLAXJL-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000043017498 213551415 /nfs/dbraw/zinc/55/14/15/213551415.db2.gz PTFTXPJSCDONAS-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1cccs1)c1ccc(Br)cc1 ZINC000042959277 213546465 /nfs/dbraw/zinc/54/64/65/213546465.db2.gz LSEFGWPUMPQQFZ-ZANVPECISA-N 1 0 328.300 4.691 10 0 EJAERO CCCn1cc(C[NH2+]Cc2c(C)n(CC(C)C)c3ccccc32)cn1 ZINC000067713619 215190647 /nfs/dbraw/zinc/19/06/47/215190647.db2.gz JSRYHDDMXJUASE-UHFFFAOYSA-N 1 0 338.499 4.502 10 0 EJAERO C[C@@]([NH3+])(Cc1ccc(F)c(Br)c1)c1ccccc1Cl ZINC000103939346 219331027 /nfs/dbraw/zinc/33/10/27/219331027.db2.gz FYQIHALONMCEBV-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO CC(C)C1CCC([NH3+])(Cc2cc(Br)ccc2F)CC1 ZINC000103944528 219331153 /nfs/dbraw/zinc/33/11/53/219331153.db2.gz ZOYZHVDEYRLHTI-UHFFFAOYSA-N 1 0 328.269 4.674 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(F)cc1Br)C1CCCCC1 ZINC000103946480 219331563 /nfs/dbraw/zinc/33/15/63/219331563.db2.gz VFOWQGMVUWWUDP-MRXNPFEDSA-N 1 0 328.269 4.689 10 0 EJAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(Cc2ccc(Br)cc2F)C1 ZINC000103949552 219331761 /nfs/dbraw/zinc/33/17/61/219331761.db2.gz LMBVXODNFQAIID-MEDUHNTESA-N 1 0 328.269 4.674 10 0 EJAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1ccc(F)cc1Br ZINC000103950884 219332163 /nfs/dbraw/zinc/33/21/63/219332163.db2.gz FHURUPPXJYOHES-NORZTCDRSA-N 1 0 328.269 4.545 10 0 EJAERO C[C@@]([NH3+])(c1cccc(Cl)c1Cl)c1ccccc1Br ZINC000103948045 219332191 /nfs/dbraw/zinc/33/21/91/219332191.db2.gz ICSGBOOAZRLLKP-AWEZNQCLSA-N 1 0 345.067 4.978 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1ccc(Cl)cc1F ZINC000103950105 219332406 /nfs/dbraw/zinc/33/24/06/219332406.db2.gz BLGGRBNEOOAVIW-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH+]1CCC([C@H](C)Nc2cc(Br)ccc2Cl)CC1 ZINC000103990919 219336214 /nfs/dbraw/zinc/33/62/14/219336214.db2.gz KXDMQDGPBOEZRU-NSHDSACASA-N 1 0 345.712 4.635 10 0 EJAERO CC(C)(C)CC(C)(C)[NH2+]CCOc1cccc(Br)c1 ZINC000104007215 219338208 /nfs/dbraw/zinc/33/82/08/219338208.db2.gz HCVSVGKOVPVKFF-UHFFFAOYSA-N 1 0 328.294 4.632 10 0 EJAERO CCC(C)(C)[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000104020052 219339200 /nfs/dbraw/zinc/33/92/00/219339200.db2.gz XUZUFMGVBRDBCQ-CYBMUJFWSA-N 1 0 334.685 4.808 10 0 EJAERO CC[C@H]([NH2+][C@H]1CCCOc2cc(Br)ccc21)C(C)C ZINC000103969863 219334124 /nfs/dbraw/zinc/33/41/24/219334124.db2.gz HSWCNAYDZCFIAH-GJZGRUSLSA-N 1 0 326.278 4.687 10 0 EJAERO CC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C(C)C ZINC000103969874 219334404 /nfs/dbraw/zinc/33/44/04/219334404.db2.gz XIRJILIUNHIIFZ-GFCCVEGCSA-N 1 0 336.220 4.575 10 0 EJAERO CCCCCO[C@@H](C[NH2+]C(C)C)c1cccc(Br)c1 ZINC000103974263 219335514 /nfs/dbraw/zinc/33/55/14/219335514.db2.gz YYZGTVRKFGMZON-INIZCTEOSA-N 1 0 328.294 4.695 10 0 EJAERO CCC1(CC)CSC(N[C@H](C)c2cccc(Br)c2)=[NH+]1 ZINC000104156628 219354064 /nfs/dbraw/zinc/35/40/64/219354064.db2.gz ZXHYJLJRFBFYBT-LLVKDONJSA-N 1 0 341.318 4.761 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1ccc(Br)cc1Cl ZINC000104170904 219354827 /nfs/dbraw/zinc/35/48/27/219354827.db2.gz JESRSAWUDWBXJE-INIZCTEOSA-N 1 0 338.676 4.914 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(Br)ccc1F ZINC000104173436 219355408 /nfs/dbraw/zinc/35/54/08/219355408.db2.gz GUORVDZIGJQTLD-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccsc1)c1ccc(F)cc1Br ZINC000104179690 219355759 /nfs/dbraw/zinc/35/57/59/219355759.db2.gz LJUOBCANEFUUHK-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO Cc1ccc(C[C@@H]([NH3+])c2cc(Br)ccc2Cl)cc1C ZINC000104179725 219355960 /nfs/dbraw/zinc/35/59/60/219355960.db2.gz XPDDYULYZUNYND-MRXNPFEDSA-N 1 0 338.676 4.962 10 0 EJAERO CC[NH2+][C@@H](c1sccc1Br)c1ccc(Cl)cc1 ZINC000104286915 219370235 /nfs/dbraw/zinc/37/02/35/219370235.db2.gz AAACLNGJCYJOOG-GFCCVEGCSA-N 1 0 330.678 4.863 10 0 EJAERO Cc1ccc(Sc2cc(Br)ccc2C[C@H](C)[NH3+])cc1 ZINC000104292342 219370961 /nfs/dbraw/zinc/37/09/61/219370961.db2.gz XPQMFQDZYNAMQO-LBPRGKRZSA-N 1 0 336.298 4.798 10 0 EJAERO Cc1ccc(Oc2cccc(Cl)c2CC[NH3+])c(Br)c1 ZINC000104295141 219372222 /nfs/dbraw/zinc/37/22/22/219372222.db2.gz WUJGDSQYZDCHJE-UHFFFAOYSA-N 1 0 340.648 4.704 10 0 EJAERO CCC(CC)[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000104447034 219387299 /nfs/dbraw/zinc/38/72/99/219387299.db2.gz PMKYJWXSHJSPMA-IAQYHMDHSA-N 1 0 326.278 4.687 10 0 EJAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])C1CCCCC1 ZINC000019967885 202028699 /nfs/dbraw/zinc/02/86/99/202028699.db2.gz XZDTWWBVPZHWPV-CYBMUJFWSA-N 1 0 332.669 4.691 10 0 EJAERO Clc1ccc(CC[NH2+]Cc2nc3ccccc3s2)c(Cl)c1 ZINC000037977681 213179695 /nfs/dbraw/zinc/17/96/95/213179695.db2.gz BFLSITHZAFVERI-UHFFFAOYSA-N 1 0 337.275 4.935 10 0 EJAERO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(Br)cc1 ZINC000036936005 213126371 /nfs/dbraw/zinc/12/63/71/213126371.db2.gz PUQTUEJHKCYFQM-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO CCC[C@@H](C)N(C)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000036791410 213118883 /nfs/dbraw/zinc/11/88/83/213118883.db2.gz CPFHJHJEFMNVRY-CYBMUJFWSA-N 1 0 327.310 4.572 10 0 EJAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753048 213117277 /nfs/dbraw/zinc/11/72/77/213117277.db2.gz LMMNGRQTGNSTBK-VIFPVBQESA-N 1 0 328.250 4.987 10 0 EJAERO Cc1cc(Cl)ccc1Oc1cc(Br)ccc1C[NH3+] ZINC000036670739 213109002 /nfs/dbraw/zinc/10/90/02/213109002.db2.gz PSPSLWCJTIULRE-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO C[C@@H]1CCC[C@@H]([NH2+]CCSc2ccc(Br)cc2)C1 ZINC000070137428 215677429 /nfs/dbraw/zinc/67/74/29/215677429.db2.gz LJKNFZWFYSXXDM-TZMCWYRMSA-N 1 0 328.319 4.710 10 0 EJAERO CC(C)(C)c1csc(C[C@H]([NH3+])c2ccc(Cl)cc2Cl)n1 ZINC000036280108 213082071 /nfs/dbraw/zinc/08/20/71/213082071.db2.gz NAOVHXPDILKRGA-LBPRGKRZSA-N 1 0 329.296 4.990 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)s1)c1ccc(OC)cc1C ZINC000035542990 213037769 /nfs/dbraw/zinc/03/77/69/213037769.db2.gz FWDKJXZKCGKWGH-HNNXBMFYSA-N 1 0 340.286 4.527 10 0 EJAERO CC[NH2+][C@H](c1sccc1C)c1ccc(OC)c(Br)c1 ZINC000035508144 213034401 /nfs/dbraw/zinc/03/44/01/213034401.db2.gz OVAFYJRCPBLJIS-AWEZNQCLSA-N 1 0 340.286 4.527 10 0 EJAERO C[NH2+][C@H](CC(C)(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035458355 213030639 /nfs/dbraw/zinc/03/06/39/213030639.db2.gz XDBDKZNODKSVSB-GFCCVEGCSA-N 1 0 334.685 4.808 10 0 EJAERO CCc1ccc([C@@H]([NH2+]C)c2cc(Br)ccc2F)s1 ZINC000035460776 213030299 /nfs/dbraw/zinc/03/02/99/213030299.db2.gz PFPVJJZTTPGVEF-AWEZNQCLSA-N 1 0 328.250 4.521 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)cc(Br)c1 ZINC000035464098 213030180 /nfs/dbraw/zinc/03/01/80/213030180.db2.gz SJNYPYDRLLRNPA-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO CCC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)[C@H]1C[C@@H]1C ZINC000035573005 213039533 /nfs/dbraw/zinc/03/95/33/213039533.db2.gz IEIYAVHYKVKGOO-CHIMOYNISA-N 1 0 346.696 4.808 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1Br ZINC000035498478 202304120 /nfs/dbraw/zinc/30/41/20/202304120.db2.gz JFAYRPBTYQZZGN-GFCCVEGCSA-N 1 0 334.641 4.612 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035497987 202304139 /nfs/dbraw/zinc/30/41/39/202304139.db2.gz VPZKYTNLGFYPND-LBPRGKRZSA-N 1 0 334.641 4.612 10 0 EJAERO [NH3+][C@@H](c1ccc(-c2ccc(F)cc2Br)s1)C1CC1 ZINC000036927953 202334816 /nfs/dbraw/zinc/33/48/16/202334816.db2.gz ZPVXJFRUKCWZQO-CQSZACIVSA-N 1 0 326.234 4.727 10 0 EJAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1ccc(Br)cc1 ZINC000037381660 202340128 /nfs/dbraw/zinc/34/01/28/202340128.db2.gz JUVKNHRIEJKPMG-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO C[C@H]([NH2+]CCc1ccccc1F)c1ccc(Br)s1 ZINC000038001701 202383776 /nfs/dbraw/zinc/38/37/76/202383776.db2.gz MRAFSPFTQQAGNW-JTQLQIEISA-N 1 0 328.250 4.543 10 0 EJAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])CC1CCCCC1 ZINC000037226089 213135755 /nfs/dbraw/zinc/13/57/55/213135755.db2.gz DMJOKKRYYLIFQQ-HNNXBMFYSA-N 1 0 326.278 4.818 10 0 EJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000037377871 213143360 /nfs/dbraw/zinc/14/33/60/213143360.db2.gz RELBQAOIHVQTCH-ZDUSSCGKSA-N 1 0 349.030 4.943 10 0 EJAERO CC[C@@H]([NH2+]CCCOCC(C)C)c1ccc(Br)cc1 ZINC000021012241 212199441 /nfs/dbraw/zinc/19/94/41/212199441.db2.gz ILSQCOITWWUESJ-MRXNPFEDSA-N 1 0 328.294 4.553 10 0 EJAERO CCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCCC ZINC000020934197 212190495 /nfs/dbraw/zinc/19/04/95/212190495.db2.gz XYCLXWWUOXSSAQ-UHFFFAOYSA-N 1 0 344.293 4.526 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1OC ZINC000020931590 212190464 /nfs/dbraw/zinc/19/04/64/212190464.db2.gz FGWNYDIQAFIJOP-UHFFFAOYSA-N 1 0 325.880 4.950 10 0 EJAERO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020930638 212190488 /nfs/dbraw/zinc/19/04/88/212190488.db2.gz JAMZJSFHMPCQDD-UHFFFAOYSA-N 1 0 349.430 4.647 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000020931619 212189313 /nfs/dbraw/zinc/18/93/13/212189313.db2.gz VSBHMIXKRNDANF-UHFFFAOYSA-N 1 0 333.859 4.736 10 0 EJAERO COc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000020928252 212187919 /nfs/dbraw/zinc/18/79/19/212187919.db2.gz MBIIINNIYMNCPT-UHFFFAOYSA-N 1 0 340.294 4.916 10 0 EJAERO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874582 212180535 /nfs/dbraw/zinc/18/05/35/212180535.db2.gz RJWVFIKDUKZHAY-UHFFFAOYSA-N 1 0 348.284 4.836 10 0 EJAERO Cc1ccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)cc1 ZINC000020874445 212180365 /nfs/dbraw/zinc/18/03/65/212180365.db2.gz GAYVDNKSUWCBIM-UHFFFAOYSA-N 1 0 331.459 4.906 10 0 EJAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1csc2ccccc21 ZINC000020596360 212150264 /nfs/dbraw/zinc/15/02/64/212150264.db2.gz IWLOBHADTYFABY-OAHLLOKOSA-N 1 0 332.266 4.906 10 0 EJAERO CCCC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H](C)CC ZINC000070139094 203074031 /nfs/dbraw/zinc/07/40/31/203074031.db2.gz PIZDFWXZVSRRQT-CYBMUJFWSA-N 1 0 328.294 4.858 10 0 EJAERO Cc1ccccc1[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971852 212092867 /nfs/dbraw/zinc/09/28/67/212092867.db2.gz LQIVBPPIOBNNAV-AWEZNQCLSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@H](c1cccc(F)c1)c1cc(C(F)(F)F)ccc1Br ZINC000019971868 212092493 /nfs/dbraw/zinc/09/24/93/212092493.db2.gz FYECUIBESCUUMA-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO [NH3+][C@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971836 212092352 /nfs/dbraw/zinc/09/23/52/212092352.db2.gz USLKAHRLHWXISJ-CQSZACIVSA-N 1 0 344.174 4.710 10 0 EJAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])CC1CCCC1 ZINC000019967859 212091547 /nfs/dbraw/zinc/09/15/47/212091547.db2.gz XDYNEHSAXCPBPC-CYBMUJFWSA-N 1 0 332.669 4.691 10 0 EJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(Cl)cc1Br ZINC000019873757 212078579 /nfs/dbraw/zinc/07/85/79/212078579.db2.gz ZBSQMMYGZYKJEW-SECBINFHSA-N 1 0 326.621 4.915 10 0 EJAERO C[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000019777199 212065326 /nfs/dbraw/zinc/06/53/26/212065326.db2.gz AXJKQUCNUUSLOK-UHFFFAOYSA-N 1 0 330.642 4.945 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000019506760 212034990 /nfs/dbraw/zinc/03/49/90/212034990.db2.gz VHOWRZOBUPZDBZ-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO CCCCCCO[C@@H](c1ccc(Br)s1)[C@H]([NH3+])CC ZINC000103972011 204090462 /nfs/dbraw/zinc/09/04/62/204090462.db2.gz JUZFFIAXYYEDNO-BXUZGUMPSA-N 1 0 334.323 4.886 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000042903885 204161460 /nfs/dbraw/zinc/16/14/60/204161460.db2.gz WHNRJEHXRYWHEO-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1ccccc1Cl ZINC000043086896 204209484 /nfs/dbraw/zinc/20/94/84/204209484.db2.gz PTLGAQZOXSXMQL-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccccc1Br ZINC000043094230 204209675 /nfs/dbraw/zinc/20/96/75/204209675.db2.gz UXVLOQHOJKOGTH-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccccc1S[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042959635 204186490 /nfs/dbraw/zinc/18/64/90/204186490.db2.gz AKEXLUHSLRQWET-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1ccccc1S[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043025059 204196172 /nfs/dbraw/zinc/19/61/72/204196172.db2.gz NTOUXGNBLLDSOL-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO [NH3+]C[C@@H](Sc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000043024874 204197420 /nfs/dbraw/zinc/19/74/20/204197420.db2.gz RALSUMBALVBCEM-CQSZACIVSA-N 1 0 344.224 4.519 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Cl)c1cccc(Br)c1 ZINC000043022549 204202005 /nfs/dbraw/zinc/20/20/05/204202005.db2.gz SOGGTLOWUSCJSS-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1cccc(Br)c1 ZINC000043022289 204202618 /nfs/dbraw/zinc/20/26/18/204202618.db2.gz JMGUIFURIXRPLJ-JKSUJKDBSA-N 1 0 326.278 4.577 10 0 EJAERO Cc1ccccc1S[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043096340 213561002 /nfs/dbraw/zinc/56/10/02/213561002.db2.gz FWMZKIZYQDRASV-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4ccccc4F)cc3)oc2c(C)c1 ZINC000226307609 205125460 /nfs/dbraw/zinc/12/54/60/205125460.db2.gz LMBHEGYFRNAVPR-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO C[C@]([NH3+])(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000103935111 206479622 /nfs/dbraw/zinc/47/96/22/206479622.db2.gz ALBAZLZLZMEBEQ-HNNXBMFYSA-N 1 0 342.639 4.658 10 0 EJAERO Cc1cc(Br)cc(Cl)c1OCCCC[NH2+]CC(C)C ZINC000104013100 206482279 /nfs/dbraw/zinc/48/22/79/206482279.db2.gz FSKVOJPNFKPEDZ-UHFFFAOYSA-N 1 0 348.712 4.816 10 0 EJAERO CCOc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)cc1OC ZINC000010436585 211172851 /nfs/dbraw/zinc/17/28/51/211172851.db2.gz ZYNYNVYACANKAV-UHFFFAOYSA-N 1 0 349.902 4.662 10 0 EJAERO C[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088772 218278016 /nfs/dbraw/zinc/27/80/16/218278016.db2.gz CUAHTUNOIDVLPE-CABCVRRESA-N 1 0 338.517 4.531 10 0 EJAERO CC[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(Br)cc1 ZINC000095918384 218449672 /nfs/dbraw/zinc/44/96/72/218449672.db2.gz LKGZCTIIEVYGIE-NSHDSACASA-N 1 0 342.224 4.570 10 0 EJAERO CC[NH+](CC)CCCCOc1ccc(Cl)cc1Br ZINC000005794548 563550766 /nfs/dbraw/zinc/55/07/66/563550766.db2.gz IYOZXSWPJJPTGN-UHFFFAOYSA-N 1 0 334.685 4.603 10 0 EJAERO CC[NH+](CC)CCCCOc1c(C)cc(C)cc1Br ZINC000005794537 563550791 /nfs/dbraw/zinc/55/07/91/563550791.db2.gz ALWMGEOXKMCSSD-UHFFFAOYSA-N 1 0 328.294 4.567 10 0 EJAERO CCCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000013719963 563716058 /nfs/dbraw/zinc/71/60/58/563716058.db2.gz SRDGETXVBCBICZ-UHFFFAOYSA-N 1 0 334.287 4.689 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013722119 563716875 /nfs/dbraw/zinc/71/68/75/563716875.db2.gz FIZJHBWAQVLDSX-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CCC[C@@]1([NH+]2CCCCCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265651 563986890 /nfs/dbraw/zinc/98/68/90/563986890.db2.gz RPEWBMLHYAYADN-HXUWFJFHSA-N 1 0 338.536 4.822 10 0 EJAERO CCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013717523 564020595 /nfs/dbraw/zinc/02/05/95/564020595.db2.gz IMWBMAHNNIZULC-UHFFFAOYSA-N 1 0 333.859 4.817 10 0 EJAERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000536959198 564091811 /nfs/dbraw/zinc/09/18/11/564091811.db2.gz PPDCNABLZCPJDS-SFHVURJKSA-N 1 0 341.451 4.847 10 0 EJAERO C[C@H]([NH3+])c1cc(Br)ccc1OCc1ccccc1Cl ZINC000052066566 214114482 /nfs/dbraw/zinc/11/44/82/214114482.db2.gz ASIMRBIZHPKAEV-JTQLQIEISA-N 1 0 340.648 4.701 10 0 EJAERO CC(C)[NH2+]CCC[C@H](C)Oc1ccc(Cl)cc1Br ZINC000052692388 214140914 /nfs/dbraw/zinc/14/09/14/214140914.db2.gz ADHGNWQJELLJNQ-NSHDSACASA-N 1 0 334.685 4.648 10 0 EJAERO [NH3+]C[C@@H](Cc1ccc(Cl)s1)Cc1cccc(Br)c1 ZINC000052948063 214156413 /nfs/dbraw/zinc/15/64/13/214156413.db2.gz QNXNOCUOUBHZDF-LLVKDONJSA-N 1 0 344.705 4.524 10 0 EJAERO C[C@@]([NH3+])(Cc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000053756469 214196407 /nfs/dbraw/zinc/19/64/07/214196407.db2.gz CSHGDVARDYAKRI-CYBMUJFWSA-N 1 0 330.678 4.581 10 0 EJAERO C[C@]([NH3+])(Cc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000053756471 214196920 /nfs/dbraw/zinc/19/69/20/214196920.db2.gz CSHGDVARDYAKRI-ZDUSSCGKSA-N 1 0 330.678 4.581 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(F)cc1Br)c1ccsc1 ZINC000053822899 214199763 /nfs/dbraw/zinc/19/97/63/214199763.db2.gz UMPJCBRBPIDATH-CQSZACIVSA-N 1 0 328.250 4.543 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Br)c1ccsc1 ZINC000053822896 214200709 /nfs/dbraw/zinc/20/07/09/214200709.db2.gz UMPJCBRBPIDATH-AWEZNQCLSA-N 1 0 328.250 4.543 10 0 EJAERO Cc1cccc(CS[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000054965575 214261470 /nfs/dbraw/zinc/26/14/70/214261470.db2.gz ILEFHDYUVLVVDS-INIZCTEOSA-N 1 0 336.298 4.691 10 0 EJAERO Cc1ccc([C@H](Sc2cccc(Br)c2)[C@H](C)[NH3+])s1 ZINC000055307553 214304140 /nfs/dbraw/zinc/30/41/40/214304140.db2.gz FRCLOWGFKHTPFE-IINYFYTJSA-N 1 0 342.327 5.000 10 0 EJAERO COc1ccc(Sc2ccc([C@H](C)[NH3+])cc2Br)cc1 ZINC000061700007 214672532 /nfs/dbraw/zinc/67/25/32/214672532.db2.gz JPWODQSZJQGRJR-JTQLQIEISA-N 1 0 338.270 4.629 10 0 EJAERO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](CCOc2ccccc2)C1 ZINC000003609306 210064805 /nfs/dbraw/zinc/06/48/05/210064805.db2.gz FYTQTAYCWJNEDW-JOCHJYFZSA-N 1 0 339.479 4.518 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1ccc(Br)cc1Cl)c1cccs1 ZINC000043110488 213561700 /nfs/dbraw/zinc/56/17/00/213561700.db2.gz APFAHBZJKLDOLQ-SDBXPKJASA-N 1 0 346.677 4.631 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1Br)c1ccc(F)cc1 ZINC000042943619 213543039 /nfs/dbraw/zinc/54/30/39/213543039.db2.gz XCRGBJXRZSDWJD-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)c1ccccc1Cl ZINC000103938237 219330540 /nfs/dbraw/zinc/33/05/40/219330540.db2.gz GGNOOQJFCQBEKZ-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[C@@]([NH3+])(c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000103940522 219331142 /nfs/dbraw/zinc/33/11/42/219331142.db2.gz WDXLQAGFIMAADI-CQSZACIVSA-N 1 0 345.067 4.978 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1Br)C1CCCC1 ZINC000103946499 219331300 /nfs/dbraw/zinc/33/13/00/219331300.db2.gz KVMRXIOIXJVENJ-INIZCTEOSA-N 1 0 328.269 4.689 10 0 EJAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Cc1cc(Br)cs1 ZINC000103950905 219331903 /nfs/dbraw/zinc/33/19/03/219331903.db2.gz QOEJILZPHLBKDO-ZOWXZIJZSA-N 1 0 330.335 4.858 10 0 EJAERO C[C@]([NH3+])(Cc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000103936278 219330029 /nfs/dbraw/zinc/33/00/29/219330029.db2.gz SCLYSHDYRVXJMA-HNNXBMFYSA-N 1 0 342.639 4.658 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000103987489 219336083 /nfs/dbraw/zinc/33/60/83/219336083.db2.gz GIGBRIZJPUZPFT-WFASDCNBSA-N 1 0 326.278 4.516 10 0 EJAERO CCC[C@@](C)(C[NH2+]C(C)C)Cc1ccc(F)cc1Br ZINC000103999468 219336917 /nfs/dbraw/zinc/33/69/17/219336917.db2.gz GBPUIDQVIGFUAU-MRXNPFEDSA-N 1 0 330.285 4.935 10 0 EJAERO C[C@H]1C[C@H](O[C@@H](C[NH3+])c2cc(Br)cs2)CC(C)(C)C1 ZINC000103994723 219337354 /nfs/dbraw/zinc/33/73/54/219337354.db2.gz PEZDSFWWFYAKTN-DRZSPHRISA-N 1 0 346.334 4.742 10 0 EJAERO CCC(C)(C)[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000104020056 219339351 /nfs/dbraw/zinc/33/93/51/219339351.db2.gz XUZUFMGVBRDBCQ-ZDUSSCGKSA-N 1 0 334.685 4.808 10 0 EJAERO CCC[C@@](C)(CCOc1cccc(Br)c1)C[NH2+]CC ZINC000104010697 219339425 /nfs/dbraw/zinc/33/94/25/219339425.db2.gz JFRFCIHTWYROLV-INIZCTEOSA-N 1 0 328.294 4.634 10 0 EJAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(F)cc1Br ZINC000104020202 219340277 /nfs/dbraw/zinc/34/02/77/219340277.db2.gz CEHTVHJBTMYGLR-INIZCTEOSA-N 1 0 330.285 4.793 10 0 EJAERO CCC[C@H](C)COc1ccc(C[NH2+]C(C)C)cc1Br ZINC000103969490 219333810 /nfs/dbraw/zinc/33/38/10/219333810.db2.gz QRYLZJVRMHZYGA-ZDUSSCGKSA-N 1 0 328.294 4.762 10 0 EJAERO CC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C(C)C ZINC000103969869 219333981 /nfs/dbraw/zinc/33/39/81/219333981.db2.gz XIRJILIUNHIIFZ-LBPRGKRZSA-N 1 0 336.220 4.575 10 0 EJAERO CCC[NH2+]Cc1ccc(OC[C@H](C)CCC)c(Br)c1 ZINC000103967814 219334225 /nfs/dbraw/zinc/33/42/25/219334225.db2.gz CZGLAPRHWYSKAY-CYBMUJFWSA-N 1 0 328.294 4.764 10 0 EJAERO Cc1cc(Br)ccc1Oc1cc(Cl)ccc1C[NH3+] ZINC000103975225 219334865 /nfs/dbraw/zinc/33/48/65/219334865.db2.gz GQGILBZIUVNYTF-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO CCC[NH2+]Cc1cc(Br)ccc1OC[C@H](C)CCC ZINC000103976138 219334984 /nfs/dbraw/zinc/33/49/84/219334984.db2.gz RXJZGAGYWOIAKV-CYBMUJFWSA-N 1 0 328.294 4.764 10 0 EJAERO Cc1ccc(Oc2cc(Br)ccc2C[NH3+])c(Cl)c1 ZINC000104167582 219355075 /nfs/dbraw/zinc/35/50/75/219355075.db2.gz VSAJNXADABAPRN-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(Br)ccc1F ZINC000104173439 219355801 /nfs/dbraw/zinc/35/58/01/219355801.db2.gz GUORVDZIGJQTLD-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1C ZINC000104174587 219355949 /nfs/dbraw/zinc/35/59/49/219355949.db2.gz JCRAFAYLQFQCSF-INIZCTEOSA-N 1 0 338.676 4.914 10 0 EJAERO CC[NH2+][C@H](c1sccc1Br)c1ccc(OC)c(C)c1 ZINC000104289232 219370772 /nfs/dbraw/zinc/37/07/72/219370772.db2.gz TVDVDJLXUPGSOC-AWEZNQCLSA-N 1 0 340.286 4.527 10 0 EJAERO C[NH2+]Cc1ccc(Br)cc1Oc1ccccc1SC ZINC000104330272 219375444 /nfs/dbraw/zinc/37/54/44/219375444.db2.gz YLSLWAXTTAMNFL-UHFFFAOYSA-N 1 0 338.270 4.683 10 0 EJAERO CC[C@H]([NH3+])Cc1ccc(Sc2cccc(Br)c2)cc1 ZINC000104433338 219386894 /nfs/dbraw/zinc/38/68/94/219386894.db2.gz LCRQTVCAKZYCFT-AWEZNQCLSA-N 1 0 336.298 4.880 10 0 EJAERO Clc1ccc([C@@H]([NH2+]C[C@@H]2CCCOC2)c2cccs2)s1 ZINC000038045030 213197647 /nfs/dbraw/zinc/19/76/47/213197647.db2.gz OINVTATVHFOIKV-NHYWBVRUSA-N 1 0 327.902 4.569 10 0 EJAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000020875703 202057473 /nfs/dbraw/zinc/05/74/73/202057473.db2.gz PDNJRSUXCIFKTC-UHFFFAOYSA-N 1 0 326.621 4.615 10 0 EJAERO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032556 213194013 /nfs/dbraw/zinc/19/40/13/213194013.db2.gz YDPRIMKUXOUWSO-SFHVURJKSA-N 1 0 345.284 4.541 10 0 EJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Br)s1 ZINC000038002919 202081350 /nfs/dbraw/zinc/08/13/50/202081350.db2.gz NBMVAPLAUGCLJK-JQWIXIFHSA-N 1 0 338.270 4.685 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037534943 213154682 /nfs/dbraw/zinc/15/46/82/213154682.db2.gz CYBUYIPCUIRYIJ-MRXNPFEDSA-N 1 0 338.676 4.996 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037534942 213154292 /nfs/dbraw/zinc/15/42/92/213154292.db2.gz CYBUYIPCUIRYIJ-INIZCTEOSA-N 1 0 338.676 4.996 10 0 EJAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000036999782 213129696 /nfs/dbraw/zinc/12/96/96/213129696.db2.gz ZLLVYGDZZIYKIN-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(C)(C)C)cc1Br ZINC000036889614 213126060 /nfs/dbraw/zinc/12/60/60/213126060.db2.gz HNHCFSGZRXHCTD-BXUZGUMPSA-N 1 0 328.294 4.920 10 0 EJAERO [NH3+][C@H](c1ccc(-c2cc(Br)ccc2F)s1)C1CC1 ZINC000036753080 213117414 /nfs/dbraw/zinc/11/74/14/213117414.db2.gz MROOEOYYPGNRCG-AWEZNQCLSA-N 1 0 326.234 4.727 10 0 EJAERO CC(C)[NH2+]Cc1ccccc1COc1ccc(Br)cc1 ZINC000036611860 213101416 /nfs/dbraw/zinc/10/14/16/213101416.db2.gz MDNOFFOXUHVRDY-UHFFFAOYSA-N 1 0 334.257 4.526 10 0 EJAERO CCC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)[C@H]1C[C@@H]1C ZINC000035573004 213038830 /nfs/dbraw/zinc/03/88/30/213038830.db2.gz IEIYAVHYKVKGOO-NURSFMCSSA-N 1 0 346.696 4.808 10 0 EJAERO CCC[NH2+][C@@H](c1cc(Br)ccc1Br)C(C)C ZINC000035578355 213038443 /nfs/dbraw/zinc/03/84/43/213038443.db2.gz YWCPEPVZEVUBGM-CYBMUJFWSA-N 1 0 349.110 4.908 10 0 EJAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(Br)cc1F ZINC000035497566 213032863 /nfs/dbraw/zinc/03/28/63/213032863.db2.gz OLWPVOUEVDBHGN-AWEZNQCLSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@@H](c1csc2ccccc21)c1ccccc1Br ZINC000035499814 213032290 /nfs/dbraw/zinc/03/22/90/213032290.db2.gz RBOUYZBUCLKWLK-MRXNPFEDSA-N 1 0 332.266 4.973 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)cc(Br)c1 ZINC000035464096 213030429 /nfs/dbraw/zinc/03/04/29/213030429.db2.gz SJNYPYDRLLRNPA-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000035462739 213030582 /nfs/dbraw/zinc/03/05/82/213030582.db2.gz HLUUBGFLZBTLCG-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO CCc1ccc([C@H]([NH2+]C)c2cc(Br)ccc2F)s1 ZINC000035460774 213030376 /nfs/dbraw/zinc/03/03/76/213030376.db2.gz PFPVJJZTTPGVEF-CQSZACIVSA-N 1 0 328.250 4.521 10 0 EJAERO CCC(CC)[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458601 213030395 /nfs/dbraw/zinc/03/03/95/213030395.db2.gz ZPYHHXFIMAZYFC-CYBMUJFWSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC000035462600 213029826 /nfs/dbraw/zinc/02/98/26/213029826.db2.gz FAQYIXZDKQQUNZ-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000035256907 213015164 /nfs/dbraw/zinc/01/51/64/213015164.db2.gz SUCPZAGOZAKGCI-HIFRSBDPSA-N 1 0 326.278 4.516 10 0 EJAERO CC[C@@H](C)N(CC)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000034825114 212991012 /nfs/dbraw/zinc/99/10/12/212991012.db2.gz MWZOPVMGUXYYJW-CYBMUJFWSA-N 1 0 327.310 4.572 10 0 EJAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1Br ZINC000035581318 213039203 /nfs/dbraw/zinc/03/92/03/213039203.db2.gz DSXBVEJHNYMSJP-CQSZACIVSA-N 1 0 328.250 4.739 10 0 EJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(Br)cc2F)s1 ZINC000034673483 202275035 /nfs/dbraw/zinc/27/50/35/202275035.db2.gz OZSMWHFBZJTKFM-LBPRGKRZSA-N 1 0 328.250 4.987 10 0 EJAERO CCCCC[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458157 202304185 /nfs/dbraw/zinc/30/41/85/202304185.db2.gz NVRNUMBUJCGPMG-ZDUSSCGKSA-N 1 0 334.685 4.952 10 0 EJAERO CCc1ccc([C@H]([NH2+]C)c2ccc(F)cc2Br)s1 ZINC000035461192 202304297 /nfs/dbraw/zinc/30/42/97/202304297.db2.gz JFKANQHSFPXSDL-CQSZACIVSA-N 1 0 328.250 4.521 10 0 EJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035553544 202305429 /nfs/dbraw/zinc/30/54/29/202305429.db2.gz BTAPMFYMMCUVRR-ZDUSSCGKSA-N 1 0 330.678 4.863 10 0 EJAERO CCOC(=O)c1cccc(Nc2cc[nH+]c3cc(OCC)ccc23)c1 ZINC000072237172 216076271 /nfs/dbraw/zinc/07/62/71/216076271.db2.gz BUXQIZQZJSXLTE-UHFFFAOYSA-N 1 0 336.391 4.554 10 0 EJAERO CCc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Cl)s1 ZINC000037287821 213138742 /nfs/dbraw/zinc/13/87/42/213138742.db2.gz SJPCMQMEXZAJJZ-ZDUSSCGKSA-N 1 0 330.678 4.775 10 0 EJAERO Cc1cc(N)c2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc2[nH+]1 ZINC000072414096 216204738 /nfs/dbraw/zinc/20/47/38/216204738.db2.gz ASDOKMKJGMPIKJ-UHFFFAOYSA-N 1 0 346.217 4.685 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000020929195 212190262 /nfs/dbraw/zinc/19/02/62/212190262.db2.gz NJSGBZJRSYYLSC-UHFFFAOYSA-N 1 0 348.284 4.570 10 0 EJAERO COc1ccc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000020927703 212187644 /nfs/dbraw/zinc/18/76/44/212187644.db2.gz ISLZOCMFXSABNB-UHFFFAOYSA-N 1 0 326.278 4.660 10 0 EJAERO C[NH+](C)CCNc1cc(-c2cc3ccccc3o2)nc2ccccc21 ZINC000253495249 244005068 /nfs/dbraw/zinc/00/50/68/244005068.db2.gz QGFNKGFEXHLAOF-UHFFFAOYSA-N 1 0 331.419 4.622 10 0 EJAERO [NH3+][C@@H](c1cccc(F)c1)c1cc(C(F)(F)F)ccc1Br ZINC000019971867 212092591 /nfs/dbraw/zinc/09/25/91/212092591.db2.gz FYECUIBESCUUMA-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)c1cc(Br)ccc1F ZINC000019968857 212091214 /nfs/dbraw/zinc/09/12/14/212091214.db2.gz BJJSBXWYRDQQSS-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000019873455 212079012 /nfs/dbraw/zinc/07/90/12/212079012.db2.gz SWRMWDJRHDXITK-MRVPVSSYSA-N 1 0 328.156 4.539 10 0 EJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000019873457 212078749 /nfs/dbraw/zinc/07/87/49/212078749.db2.gz PKWUSURTDPYXQX-MRVPVSSYSA-N 1 0 328.156 4.539 10 0 EJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1sccc1Br ZINC000104286900 204105164 /nfs/dbraw/zinc/10/51/64/204105164.db2.gz YSHCGTXFSONZPU-LBPRGKRZSA-N 1 0 330.316 4.833 10 0 EJAERO C[C@H]([NH3+])[C@@H](SCc1ccccc1)c1ccc(Br)cc1 ZINC000042958707 204182825 /nfs/dbraw/zinc/18/28/25/204182825.db2.gz BXKOBYQNEHWZIV-BLLLJJGKSA-N 1 0 336.298 4.771 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccc(Br)cc1 ZINC000042956684 204182926 /nfs/dbraw/zinc/18/29/26/204182926.db2.gz IAVFTYWQKDANNW-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccccc1S[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043096344 213560793 /nfs/dbraw/zinc/56/07/93/213560793.db2.gz FWMZKIZYQDRASV-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO CCOc1cccc(C[NH2+][C@H](C)CC)c1OCc1ccccc1F ZINC000013729956 211623226 /nfs/dbraw/zinc/62/32/26/211623226.db2.gz WNXKXQKBEWOVBL-OAHLLOKOSA-N 1 0 331.431 4.692 10 0 EJAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(Cl)cc1)[C@H]2[NH3+] ZINC000011849236 211257981 /nfs/dbraw/zinc/25/79/81/211257981.db2.gz XACODARZZRMBPK-ROUUACIJSA-N 1 0 331.843 4.693 10 0 EJAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(OC)cc2)cc1Cl ZINC000010475402 211175775 /nfs/dbraw/zinc/17/57/75/211175775.db2.gz YENBGDSJTHRIPQ-UHFFFAOYSA-N 1 0 340.250 4.691 10 0 EJAERO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000242688034 258000567 /nfs/dbraw/zinc/00/05/67/258000567.db2.gz VDIUQSCGOUHYCD-MJGOQNOKSA-N 1 0 346.515 4.544 10 0 EJAERO Clc1cccc(N2CC[NH+](CCCSc3ccccc3)CC2)c1 ZINC000005572270 563540300 /nfs/dbraw/zinc/54/03/00/563540300.db2.gz JMAUCCLXNCCVFU-UHFFFAOYSA-N 1 0 346.927 4.644 10 0 EJAERO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccccc1F ZINC000013724163 563717728 /nfs/dbraw/zinc/71/77/28/563717728.db2.gz GMYSOGPMWGBATC-UHFFFAOYSA-N 1 0 331.431 4.549 10 0 EJAERO CCOc1cccc(C[NH2+][C@@H](C)CC)c1OCc1ccccc1F ZINC000013729953 563719440 /nfs/dbraw/zinc/71/94/40/563719440.db2.gz WNXKXQKBEWOVBL-HNNXBMFYSA-N 1 0 331.431 4.692 10 0 EJAERO CCOc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1F ZINC000013729902 563719510 /nfs/dbraw/zinc/71/95/10/563719510.db2.gz RUYIXDGPEOOHBG-UHFFFAOYSA-N 1 0 343.442 4.836 10 0 EJAERO FC1(F)CCC(CC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000725268798 563987554 /nfs/dbraw/zinc/98/75/54/563987554.db2.gz AVVNCKHOJRSBSM-UHFFFAOYSA-N 1 0 332.232 4.754 10 0 EJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013718608 564020580 /nfs/dbraw/zinc/02/05/80/564020580.db2.gz FTLUKUDSAHASHY-UHFFFAOYSA-N 1 0 347.458 4.607 10 0 EJAERO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000034660075 564050298 /nfs/dbraw/zinc/05/02/98/564050298.db2.gz JDRDEEMUIZGZJW-UHFFFAOYSA-N 1 0 346.268 4.589 10 0 EJAERO CCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000034659764 564050300 /nfs/dbraw/zinc/05/03/00/564050300.db2.gz SCFJUBFVUQRQNA-UHFFFAOYSA-N 1 0 348.284 4.836 10 0 EJAERO COC(=O)C[C@@H](C)c1ccc(N(CC(C)C)C2CCCCC2)c(N)c1 ZINC000669371696 568420402 /nfs/dbraw/zinc/42/04/02/568420402.db2.gz QNDYFFKFCBTDQM-MRXNPFEDSA-N 1 0 346.515 4.731 10 0 EJAERO COC(=O)C[C@H](C)c1ccc(N(CC(C)C)C2CCCCC2)c(N)c1 ZINC000669371695 568420420 /nfs/dbraw/zinc/42/04/20/568420420.db2.gz QNDYFFKFCBTDQM-INIZCTEOSA-N 1 0 346.515 4.731 10 0 EJAERO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000051631058 214098846 /nfs/dbraw/zinc/09/88/46/214098846.db2.gz PXTVLXDZGDBRTQ-FZMZJTMJSA-N 1 0 336.298 4.719 10 0 EJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000052924540 214155143 /nfs/dbraw/zinc/15/51/43/214155143.db2.gz RPDXCJSDYPDIPY-SSDOTTSWSA-N 1 0 334.135 4.748 10 0 EJAERO CCC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccsc1 ZINC000053823060 214200068 /nfs/dbraw/zinc/20/00/68/214200068.db2.gz CGNUURKOXIBLEM-ZDUSSCGKSA-N 1 0 330.316 4.856 10 0 EJAERO C[NH2+][C@@H](Cc1cc(Br)cs1)Cc1cccc(Cl)c1 ZINC000053821052 214200183 /nfs/dbraw/zinc/20/01/83/214200183.db2.gz GLYQPNCIYLOUEP-CYBMUJFWSA-N 1 0 344.705 4.537 10 0 EJAERO CC[N@H+](CCCC(=O)C1CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000004214305 210145781 /nfs/dbraw/zinc/14/57/81/210145781.db2.gz WAVYHSURRZBQKO-GOSISDBHSA-N 1 0 345.527 4.878 10 0 in-man EJAERO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CCc1ccccc1)CC3 ZINC000004217283 210144726 /nfs/dbraw/zinc/14/47/26/210144726.db2.gz CFBQYWXPZVQQTN-QPTUXGOLSA-N 1 0 347.502 4.693 10 0 in-man EJAERO CCC[N@H+](CCc1cccs1)[C@@H]1CCc2c(cccc2OC)C1 ZINC000003794357 210074849 /nfs/dbraw/zinc/07/48/49/210074849.db2.gz AXOQYAWBBDSEMG-QGZVFWFLSA-N 1 0 329.509 4.569 10 0 EJAERO Cc1ccc(S[C@@H](c2cccc(Br)c2)[C@@H](C)[NH3+])cc1 ZINC000043024268 213553955 /nfs/dbraw/zinc/55/39/55/213553955.db2.gz FQQLODOKGCRTET-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1cccc(Br)c1 ZINC000043024050 213553773 /nfs/dbraw/zinc/55/37/73/213553773.db2.gz KSBPIBPJOSPOQQ-HUUCEWRRSA-N 1 0 340.286 4.506 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000103934018 219330548 /nfs/dbraw/zinc/33/05/48/219330548.db2.gz DGGJHSHETNNGRS-INIZCTEOSA-N 1 0 338.676 4.996 10 0 EJAERO CCC[NH2+][C@H](CCC(C)C)Cc1cc(F)ccc1Br ZINC000103942140 219330961 /nfs/dbraw/zinc/33/09/61/219330961.db2.gz WSLRRCMATNRPQA-OAHLLOKOSA-N 1 0 330.285 4.935 10 0 EJAERO C[C@@]([NH3+])(Cc1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000103943126 219331237 /nfs/dbraw/zinc/33/12/37/219331237.db2.gz CRNIPNJCGDSGRY-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO C[C@]([NH3+])(c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103946192 219331354 /nfs/dbraw/zinc/33/13/54/219331354.db2.gz VUINLPYNKWBZSE-AWEZNQCLSA-N 1 0 345.067 4.978 10 0 EJAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000103948225 219332335 /nfs/dbraw/zinc/33/23/35/219332335.db2.gz IDSOQWRMLLZJOU-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000103934022 219330371 /nfs/dbraw/zinc/33/03/71/219330371.db2.gz DGGJHSHETNNGRS-MRXNPFEDSA-N 1 0 338.676 4.996 10 0 EJAERO CCCCCCOc1c(Br)cccc1C[NH2+]C(C)C ZINC000103990217 219336392 /nfs/dbraw/zinc/33/63/92/219336392.db2.gz WOAOEOGYEPMILB-UHFFFAOYSA-N 1 0 328.294 4.906 10 0 EJAERO CCCC[NH2+]C[C@@H](C)Oc1c(C)cc(Br)cc1Cl ZINC000104013086 219339312 /nfs/dbraw/zinc/33/93/12/219339312.db2.gz WLYDITKGBCHNHI-LLVKDONJSA-N 1 0 334.685 4.568 10 0 EJAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1cc(Br)ccc1F ZINC000104014488 219339447 /nfs/dbraw/zinc/33/94/47/219339447.db2.gz YCJKKGXTHKXVKU-MRXNPFEDSA-N 1 0 330.285 4.935 10 0 EJAERO CC[C@H]([NH2+][C@@H]1CCCOc2cc(Br)ccc21)C(C)C ZINC000103969853 219334213 /nfs/dbraw/zinc/33/42/13/219334213.db2.gz HSWCNAYDZCFIAH-LSDHHAIUSA-N 1 0 326.278 4.687 10 0 EJAERO CC[C@H]([NH2+]Cc1ccc(O)c(Br)c1)C1CCCCC1 ZINC000103978871 219335100 /nfs/dbraw/zinc/33/51/00/219335100.db2.gz DXPWECZAZBDNPP-HNNXBMFYSA-N 1 0 326.278 4.603 10 0 EJAERO C[NH2+][C@H](Cc1cccc(C)c1)c1cc(Br)ccc1Cl ZINC000104172175 219354385 /nfs/dbraw/zinc/35/43/85/219354385.db2.gz DTZSMHYHHFDELA-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO CCC[NH2+][C@@H](C)c1cc(Br)ccc1OCCC(C)C ZINC000104156084 219354680 /nfs/dbraw/zinc/35/46/80/219354680.db2.gz WWZWGOXZKLBIJU-ZDUSSCGKSA-N 1 0 328.294 4.935 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000104173453 219355572 /nfs/dbraw/zinc/35/55/72/219355572.db2.gz VCNKMRYXXOVTDR-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO Brc1ccc(Sc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000104297090 219371799 /nfs/dbraw/zinc/37/17/99/219371799.db2.gz XXYUPNKGWSXBHO-UHFFFAOYSA-N 1 0 334.282 4.852 10 0 EJAERO CC[NH2+][C@@H](c1sccc1Br)c1ccc(OC)c(C)c1 ZINC000104289237 219370504 /nfs/dbraw/zinc/37/05/04/219370504.db2.gz TVDVDJLXUPGSOC-CQSZACIVSA-N 1 0 340.286 4.527 10 0 EJAERO CCC[NH2+][C@@H](C)c1ccc(SCCCOC)c(Br)c1 ZINC000104439387 219386924 /nfs/dbraw/zinc/38/69/24/219386924.db2.gz CCKGPLTTYOYKSY-LBPRGKRZSA-N 1 0 346.334 4.638 10 0 EJAERO Cc1ccc(-c2nc3ccc(Cl)cc3n2CCC[NH+](C)C)cc1 ZINC000040404249 213299023 /nfs/dbraw/zinc/29/90/23/213299023.db2.gz UHJWCFONSYHPQT-UHFFFAOYSA-N 1 0 327.859 4.617 10 0 EJAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789212 213242353 /nfs/dbraw/zinc/24/23/53/213242353.db2.gz PQPSQANTEPXUKX-KGVIQGDOSA-N 1 0 338.495 4.528 10 0 EJAERO CC(=O)S[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000038458794 213209345 /nfs/dbraw/zinc/20/93/45/213209345.db2.gz ZRISUVWHOKJOTB-VQTJNVASSA-N 1 0 325.477 4.845 10 0 EJAERO CCCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OCC ZINC000020933165 202058980 /nfs/dbraw/zinc/05/89/80/202058980.db2.gz IYARGJYSWSQRFI-UHFFFAOYSA-N 1 0 343.511 4.788 10 0 EJAERO [NH3+]Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)s1 ZINC000037519032 213152621 /nfs/dbraw/zinc/15/26/21/213152621.db2.gz UKCIXVDPQFCLQB-UHFFFAOYSA-N 1 0 336.176 4.655 10 0 EJAERO CC(C)C[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000037255433 213138173 /nfs/dbraw/zinc/13/81/73/213138173.db2.gz NFCTVQGQUQJQPD-JTQLQIEISA-N 1 0 336.220 4.575 10 0 EJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2Br)c(F)c1 ZINC000037381322 213143111 /nfs/dbraw/zinc/14/31/11/213143111.db2.gz NSTCRSSMIWFCGR-VIFPVBQESA-N 1 0 326.234 4.759 10 0 EJAERO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348375 213086705 /nfs/dbraw/zinc/08/67/05/213086705.db2.gz CGHUXHXBXRMPBO-HSZRJFAPSA-N 1 0 346.474 4.800 10 0 EJAERO CC(C)(C)c1csc(C[C@H]([NH3+])c2ccc(Cl)c(Cl)c2)n1 ZINC000036280163 213081941 /nfs/dbraw/zinc/08/19/41/213081941.db2.gz XYPDPOVEMNBBGR-LBPRGKRZSA-N 1 0 329.296 4.990 10 0 EJAERO CCC[NH2+][C@@H](c1cccs1)c1cc(Br)ccc1F ZINC000035581179 213038429 /nfs/dbraw/zinc/03/84/29/213038429.db2.gz VXRYNNAUHFZSOC-CQSZACIVSA-N 1 0 328.250 4.739 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035583492 213038459 /nfs/dbraw/zinc/03/84/59/213038459.db2.gz DMFKCKKZIWQJHL-LBPRGKRZSA-N 1 0 334.666 4.846 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000035498384 213032573 /nfs/dbraw/zinc/03/25/73/213032573.db2.gz GQAXZFICBQZTJZ-LLVKDONJSA-N 1 0 330.678 4.667 10 0 EJAERO C[NH2+][C@@H](CCC(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035458205 213030345 /nfs/dbraw/zinc/03/03/45/213030345.db2.gz CJMYBKYQIFUFSO-ZDUSSCGKSA-N 1 0 334.685 4.808 10 0 EJAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Br)cc2F)s1 ZINC000035460762 213030052 /nfs/dbraw/zinc/03/00/52/213030052.db2.gz BYYYVBRGGBXVGC-CQSZACIVSA-N 1 0 328.250 4.521 10 0 EJAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1Br ZINC000035044148 213005690 /nfs/dbraw/zinc/00/56/90/213005690.db2.gz BSQVYULPZINYNL-SLEUVZQESA-N 1 0 326.278 4.687 10 0 EJAERO C[NH2+][C@H](c1cc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000035462314 213029947 /nfs/dbraw/zinc/02/99/47/213029947.db2.gz PKMITFABPXJOAD-INIZCTEOSA-N 1 0 336.298 4.698 10 0 EJAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(F)cc(Br)c1 ZINC000035509980 213034766 /nfs/dbraw/zinc/03/47/66/213034766.db2.gz KLYLRNCUARROPL-AWEZNQCLSA-N 1 0 328.250 4.657 10 0 EJAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000072141005 216027469 /nfs/dbraw/zinc/02/74/69/216027469.db2.gz KQTMYIZCHCXINZ-KXBFYZLASA-N 1 0 326.440 4.505 10 0 EJAERO C[NH2+]Cc1ccc(Br)cc1Oc1ccccc1Cl ZINC000034664499 202273596 /nfs/dbraw/zinc/27/35/96/202273596.db2.gz SNDUUTATOGWKHZ-UHFFFAOYSA-N 1 0 326.621 4.614 10 0 EJAERO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000070139038 202308545 /nfs/dbraw/zinc/30/85/45/202308545.db2.gz JESVVFYIUQFCPJ-FZMZJTMJSA-N 1 0 346.696 4.650 10 0 EJAERO CC[NH2+][C@H](C)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753051 202330440 /nfs/dbraw/zinc/33/04/40/202330440.db2.gz LMMNGRQTGNSTBK-SECBINFHSA-N 1 0 328.250 4.987 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000020931397 212190430 /nfs/dbraw/zinc/19/04/30/212190430.db2.gz JARXFGQDUPIVDC-CQSZACIVSA-N 1 0 333.859 4.988 10 0 EJAERO COc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000020928302 212188440 /nfs/dbraw/zinc/18/84/40/212188440.db2.gz IWQUGIWSENMJKK-UHFFFAOYSA-N 1 0 330.642 4.945 10 0 EJAERO CCCCCC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000020925936 212187782 /nfs/dbraw/zinc/18/77/82/212187782.db2.gz LCULPRGZKCGTJO-UHFFFAOYSA-N 1 0 328.294 4.908 10 0 EJAERO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccc(C)cc1 ZINC000020874335 212180594 /nfs/dbraw/zinc/18/05/94/212180594.db2.gz YYCGDMYNFOXKIM-KRWDZBQOSA-N 1 0 327.468 4.861 10 0 EJAERO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccc(C)cc1 ZINC000020874337 212180649 /nfs/dbraw/zinc/18/06/49/212180649.db2.gz YYCGDMYNFOXKIM-QGZVFWFLSA-N 1 0 327.468 4.861 10 0 EJAERO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(C)cc1 ZINC000020873935 212180354 /nfs/dbraw/zinc/18/03/54/212180354.db2.gz OUBRPEYAOXELJV-UHFFFAOYSA-N 1 0 325.452 4.615 10 0 EJAERO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(C)cc1 ZINC000020874333 212180373 /nfs/dbraw/zinc/18/03/73/212180373.db2.gz ONQSMVQIJLGMEB-UHFFFAOYSA-N 1 0 327.468 4.718 10 0 EJAERO CCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874301 212180025 /nfs/dbraw/zinc/18/00/25/212180025.db2.gz LTBFFCINDIFJRP-UHFFFAOYSA-N 1 0 327.468 4.862 10 0 EJAERO c1[nH]c2ccccc2c1CCNc1cccc(Nc2cc[nH+]cc2)c1 ZINC000077024257 216834897 /nfs/dbraw/zinc/83/48/97/216834897.db2.gz JCKLHFMOFAYQHE-UHFFFAOYSA-N 1 0 328.419 4.961 10 0 EJAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1CCCCC1 ZINC000019967884 212091903 /nfs/dbraw/zinc/09/19/03/212091903.db2.gz XZDTWWBVPZHWPV-ZDUSSCGKSA-N 1 0 332.669 4.691 10 0 EJAERO CC(C)(C)C[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969180 212091848 /nfs/dbraw/zinc/09/18/48/212091848.db2.gz VMWKTFLFGSABKQ-NSHDSACASA-N 1 0 335.083 4.648 10 0 EJAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])CC1CCCC1 ZINC000019967858 212091419 /nfs/dbraw/zinc/09/14/19/212091419.db2.gz XDYNEHSAXCPBPC-ZDUSSCGKSA-N 1 0 332.669 4.691 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000019519713 212036788 /nfs/dbraw/zinc/03/67/88/212036788.db2.gz ACTJWWSEGLOBSH-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1Cc1ccc(Br)s1 ZINC000103937391 204091084 /nfs/dbraw/zinc/09/10/84/204091084.db2.gz AHJOAQUXGVGQCY-SGMGOOAPSA-N 1 0 330.335 4.858 10 0 EJAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000104184435 204099604 /nfs/dbraw/zinc/09/96/04/204099604.db2.gz OXGJDHBFDTUGCC-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000042959426 204185302 /nfs/dbraw/zinc/18/53/02/204185302.db2.gz FNEMZVZMGKONLS-AWEZNQCLSA-N 1 0 344.224 4.519 10 0 EJAERO Cc1cccc([C@H](Sc2ccccc2Br)[C@H](C)[NH3+])c1 ZINC000042970126 204189789 /nfs/dbraw/zinc/18/97/89/204189789.db2.gz IMJSGLOBFLOTFA-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1cccc(Br)c1 ZINC000043023955 204196945 /nfs/dbraw/zinc/19/69/45/204196945.db2.gz CURSEZKNBGTHFV-LRDDRELGSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccc(F)cc1)c1cccc(Br)c1 ZINC000043024340 204197223 /nfs/dbraw/zinc/19/72/23/204197223.db2.gz HGYWNUKRIZNZDX-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccc(S[C@H](C[NH3+])c2cccc(Br)c2)c(C)c1 ZINC000043024333 204197782 /nfs/dbraw/zinc/19/77/82/204197782.db2.gz VMPCGYAEERHYPF-MRXNPFEDSA-N 1 0 336.298 4.858 10 0 EJAERO Cc1ccccc1S[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043025067 204199272 /nfs/dbraw/zinc/19/92/72/204199272.db2.gz NTOUXGNBLLDSOL-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(Br)cc1)c1ccccc1Cl ZINC000043089740 213558511 /nfs/dbraw/zinc/55/85/11/213558511.db2.gz YVGYRZXOVADPDE-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO C[C@@H]([NH3+])[C@H](OC1CCCCCC1)c1ccccc1Br ZINC000043095520 213559300 /nfs/dbraw/zinc/55/93/00/213559300.db2.gz CGJVIGQWVASUPV-WBMJQRKESA-N 1 0 326.278 4.577 10 0 EJAERO CC[C@@H]([NH3+])[C@H](OC1CCCCC1)c1ccccc1Br ZINC000043093937 213559728 /nfs/dbraw/zinc/55/97/28/213559728.db2.gz LEDIOZTZMZBAPR-HZPDHXFCSA-N 1 0 326.278 4.577 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(Cl)cc1)c1ccccc1Br ZINC000043095664 213560616 /nfs/dbraw/zinc/56/06/16/213560616.db2.gz UQHOCIPKVWNQQD-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000012429525 211377310 /nfs/dbraw/zinc/37/73/10/211377310.db2.gz GFAOUXAHKGXTTJ-IBGZPJMESA-N 1 0 343.430 4.990 10 0 EJAERO COc1cc(Cl)cc(C[NH2+]CC(C)C)c1OCc1ccccc1 ZINC000010474872 211176358 /nfs/dbraw/zinc/17/63/58/211176358.db2.gz BNQAZRKNBHDILK-UHFFFAOYSA-N 1 0 333.859 4.673 10 0 EJAERO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474918 211175724 /nfs/dbraw/zinc/17/57/24/211175724.db2.gz DYLZYPWPAFYTNK-AWEZNQCLSA-N 1 0 348.284 4.916 10 0 EJAERO CC(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000010436371 211172200 /nfs/dbraw/zinc/17/22/00/211172200.db2.gz LMVJQPQBSGLZQJ-UHFFFAOYSA-N 1 0 328.637 4.861 10 0 EJAERO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474907 563648021 /nfs/dbraw/zinc/64/80/21/563648021.db2.gz XYWLQSGUVOZGGX-CQSZACIVSA-N 1 0 333.859 4.816 10 0 EJAERO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013721702 563716801 /nfs/dbraw/zinc/71/68/01/563716801.db2.gz UBIPJOKBXVTBTM-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013721577 563716859 /nfs/dbraw/zinc/71/68/59/563716859.db2.gz DIVLKKXVGRHSKA-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CCOc1cccc(C[NH2+]CCC(C)C)c1OCc1ccccc1 ZINC000013724407 563717966 /nfs/dbraw/zinc/71/79/66/563717966.db2.gz BLJDNHMHSVACBB-UHFFFAOYSA-N 1 0 327.468 4.800 10 0 EJAERO CCOc1c(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)cc1OC ZINC000013726674 563718763 /nfs/dbraw/zinc/71/87/63/563718763.db2.gz GORTZKQEQWCKBU-HNNXBMFYSA-N 1 0 347.886 4.858 10 0 EJAERO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCCc1ccccc1 ZINC000028427351 563902904 /nfs/dbraw/zinc/90/29/04/563902904.db2.gz ZDMHHDGLMXXOTM-UHFFFAOYSA-N 1 0 347.458 4.607 10 0 EJAERO Fc1ccc(CCCCn2c3ccc(F)cc3c3c2CC[NH2+]C3)cc1 ZINC000032139556 563913655 /nfs/dbraw/zinc/91/36/55/563913655.db2.gz AEBQMFXOLQMHSA-UHFFFAOYSA-N 1 0 340.417 4.588 10 0 EJAERO CCOc1cccc(C[NH2+]C2CC2)c1OCc1ccccc1Cl ZINC000013729807 564020668 /nfs/dbraw/zinc/02/06/68/564020668.db2.gz NDWDUZIHRGNPKG-UHFFFAOYSA-N 1 0 331.843 4.570 10 0 EJAERO C[N+](C)(Cc1ccc(Br)c2cccnc12)C1CCCC1 ZINC000181318283 717157517 /nfs/dbraw/zinc/15/75/17/717157517.db2.gz GZZBCGROBZXSRZ-UHFFFAOYSA-N 1 0 334.281 4.516 10 0 EJAERO CC[NH2+][C@@H](C)c1cc(Br)ccc1OCc1cccs1 ZINC000052067466 214114666 /nfs/dbraw/zinc/11/46/66/214114666.db2.gz FDLVPNIXDZYMGP-NSHDSACASA-N 1 0 340.286 4.760 10 0 EJAERO CC[NH2+]C[C@@H](Cc1cccs1)Cc1ccccc1Br ZINC000052979894 214158583 /nfs/dbraw/zinc/15/85/83/214158583.db2.gz KBLFBZCVOVITDV-CYBMUJFWSA-N 1 0 338.314 4.522 10 0 EJAERO C[NH2+][C@H](Cc1sccc1Br)Cc1ccc(Cl)cc1 ZINC000053823443 214200832 /nfs/dbraw/zinc/20/08/32/214200832.db2.gz HQIPCDIDSWFYQK-LBPRGKRZSA-N 1 0 344.705 4.537 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1cccc(Br)c1 ZINC000053828185 214201544 /nfs/dbraw/zinc/20/15/44/214201544.db2.gz NTKDGDURZVDUNQ-GFCCVEGCSA-N 1 0 344.705 4.537 10 0 EJAERO CCOc1cc2[nH+]ccc(Nc3cccc(OC)c3)c2cc1OCC ZINC000054202416 214224211 /nfs/dbraw/zinc/22/42/11/214224211.db2.gz GNPFIKCCPJVFQW-UHFFFAOYSA-N 1 0 338.407 4.784 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1cccc(F)c1 ZINC000055307615 214303670 /nfs/dbraw/zinc/30/36/70/214303670.db2.gz GFORSVURXSBSAH-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccc(F)cc1 ZINC000055307502 214303673 /nfs/dbraw/zinc/30/36/73/214303673.db2.gz QNBRSHLWGVQRFI-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccc([C@@H](Sc2cccc(Br)c2)[C@@H](C)[NH3+])s1 ZINC000055307550 214304224 /nfs/dbraw/zinc/30/42/24/214304224.db2.gz FRCLOWGFKHTPFE-YGRLFVJLSA-N 1 0 342.327 5.000 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000049598948 214021045 /nfs/dbraw/zinc/02/10/45/214021045.db2.gz UUWKWTHGCVVIBY-ZDUSSCGKSA-N 1 0 328.250 4.543 10 0 EJAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC1c3ccccc3C=Cc3ccccc31)C2 ZINC000100373620 219097358 /nfs/dbraw/zinc/09/73/58/219097358.db2.gz GQAWDMWLORTZKF-PMOLBWCYSA-N 1 0 331.459 4.902 10 0 in-man EJAERO Clc1ccc2c(c1)nc1n2[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100385504 219098444 /nfs/dbraw/zinc/09/84/44/219098444.db2.gz UUDDMOPQTYNUCE-DOTOQJQBSA-N 1 0 337.854 4.624 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024786 213553975 /nfs/dbraw/zinc/55/39/75/213553975.db2.gz RUCPEQQBRSQOKB-CABCVRRESA-N 1 0 340.286 4.754 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(OC)cc1Br)[C@@H](C)CCC ZINC000037445496 201984015 /nfs/dbraw/zinc/98/40/15/201984015.db2.gz GIXNRVSCZVNHCI-BLLLJJGKSA-N 1 0 328.294 4.935 10 0 EJAERO [NH3+]Cc1cc(Cl)ccc1Sc1ccc(Br)cc1 ZINC000103931979 219330430 /nfs/dbraw/zinc/33/04/30/219330430.db2.gz AAPXYHINUZCNCW-UHFFFAOYSA-N 1 0 328.662 4.712 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1Br)c1ccsc1 ZINC000103932378 219330463 /nfs/dbraw/zinc/33/04/63/219330463.db2.gz AQMXEQFQPVXRGQ-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO CC(C)C1CCC([NH3+])(Cc2ccc(F)c(Br)c2)CC1 ZINC000103939357 219330852 /nfs/dbraw/zinc/33/08/52/219330852.db2.gz PDCISCDMRLJUHV-UHFFFAOYSA-N 1 0 328.269 4.674 10 0 EJAERO CCC[NH2+][C@H](Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000103939461 219331162 /nfs/dbraw/zinc/33/11/62/219331162.db2.gz GOJCRQLIVQAURN-CQSZACIVSA-N 1 0 342.277 4.933 10 0 EJAERO CCC[NH2+][C@@H](CCC(C)C)Cc1cc(Br)ccc1F ZINC000103940764 219331421 /nfs/dbraw/zinc/33/14/21/219331421.db2.gz JOXTYHJNTPOFHG-HNNXBMFYSA-N 1 0 330.285 4.935 10 0 EJAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(Cc2ccc(Br)cc2F)C1 ZINC000103949549 219332438 /nfs/dbraw/zinc/33/24/38/219332438.db2.gz LMBVXODNFQAIID-BDJLRTHQSA-N 1 0 328.269 4.674 10 0 EJAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)C1CCC(C)CC1 ZINC000103931111 219330295 /nfs/dbraw/zinc/33/02/95/219330295.db2.gz OKSFVTJGEOJLKW-ZEPSKSRBSA-N 1 0 328.269 4.545 10 0 EJAERO CC(C)C[C@H](C[NH2+]C(C)C)Cc1ccc(Br)cc1F ZINC000104003380 219337052 /nfs/dbraw/zinc/33/70/52/219337052.db2.gz QHRQJRBOEPUNDU-ZDUSSCGKSA-N 1 0 330.285 4.791 10 0 EJAERO CCC[NH2+]C[C@@H](Cc1ccc(F)c(Br)c1)CC(C)C ZINC000103999245 219337057 /nfs/dbraw/zinc/33/70/57/219337057.db2.gz YVJZELLDJFFCSC-CQSZACIVSA-N 1 0 330.285 4.793 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(Br)s1 ZINC000104002552 219337420 /nfs/dbraw/zinc/33/74/20/219337420.db2.gz BZDNAWGRMSFZDQ-ZDUSSCGKSA-N 1 0 342.277 4.933 10 0 EJAERO CCC[C@@H](C[NH2+]CC(C)C)Cc1cc(Br)ccc1F ZINC000104008859 219338076 /nfs/dbraw/zinc/33/80/76/219338076.db2.gz FKKWFAZPLJCAGN-CYBMUJFWSA-N 1 0 330.285 4.793 10 0 EJAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Sc1ccccc1Br ZINC000104018763 219338676 /nfs/dbraw/zinc/33/86/76/219338676.db2.gz RUJGCEGSKMGKFF-AWEZNQCLSA-N 1 0 330.335 4.954 10 0 EJAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1cc(F)ccc1Br ZINC000104014470 219338935 /nfs/dbraw/zinc/33/89/35/219338935.db2.gz JDLQGLPLMMICJX-MRXNPFEDSA-N 1 0 330.285 4.935 10 0 EJAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])C1CCCCCC1 ZINC000104020024 219339338 /nfs/dbraw/zinc/33/93/38/219339338.db2.gz AIWJOJABXMLDFV-INIZCTEOSA-N 1 0 326.278 4.818 10 0 EJAERO CCC[C@@H](C)COc1ccc(C[C@H]([NH3+])CC)cc1Br ZINC000104040738 219340943 /nfs/dbraw/zinc/34/09/43/219340943.db2.gz DCABIYVGTGNEHR-TZMCWYRMSA-N 1 0 328.294 4.544 10 0 EJAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC(C)C)c(Br)c1 ZINC000104179898 219355636 /nfs/dbraw/zinc/35/56/36/219355636.db2.gz YQISDBHQANPTKS-QWHCGFSZSA-N 1 0 328.294 4.933 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1cc(Cl)ccc1F ZINC000104186437 219356910 /nfs/dbraw/zinc/35/69/10/219356910.db2.gz ZZIJYNVKAVXDJL-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO Cc1cccc(-c2nc3ccc(Cl)cc3n2CCC[NH+](C)C)c1 ZINC000040404246 213299275 /nfs/dbraw/zinc/29/92/75/213299275.db2.gz PWKDEQXXFADLOJ-UHFFFAOYSA-N 1 0 327.859 4.617 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000019804130 202021860 /nfs/dbraw/zinc/02/18/60/202021860.db2.gz VAZPPYLRGHQZGD-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO C#[N+][C@@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000038534302 213213930 /nfs/dbraw/zinc/21/39/30/213213930.db2.gz CZOFHWKBXSJXBA-OAHLLOKOSA-N 1 0 341.239 4.737 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000019804246 202022325 /nfs/dbraw/zinc/02/23/25/202022325.db2.gz PRVSKLWRLRPCKE-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO Clc1ccc([C@H]([NH2+]C[C@@H]2CCCOC2)c2cccs2)s1 ZINC000038045031 213197380 /nfs/dbraw/zinc/19/73/80/213197380.db2.gz OINVTATVHFOIKV-XHDPSFHLSA-N 1 0 327.902 4.569 10 0 EJAERO CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000020931300 202058267 /nfs/dbraw/zinc/05/82/67/202058267.db2.gz RRHQAWLQHDBCBO-KRWDZBQOSA-N 1 0 327.468 4.595 10 0 EJAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037255875 213137960 /nfs/dbraw/zinc/13/79/60/213137960.db2.gz IDRZMOVHXJQNGW-IUODEOHRSA-N 1 0 326.278 4.687 10 0 EJAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cccc(Br)c1 ZINC000036997625 213130236 /nfs/dbraw/zinc/13/02/36/213130236.db2.gz VRCREHOGMCAISI-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cccc(Br)c1 ZINC000036997624 213130037 /nfs/dbraw/zinc/13/00/37/213130037.db2.gz VRCREHOGMCAISI-LBPRGKRZSA-N 1 0 338.676 4.823 10 0 EJAERO C[NH2+][C@H](c1ccc(-c2cc(Br)ccc2F)s1)C1CC1 ZINC000036752988 213117647 /nfs/dbraw/zinc/11/76/47/213117647.db2.gz QXBKIYHPLXFOTM-HNNXBMFYSA-N 1 0 340.261 4.987 10 0 EJAERO CC(C)[NH2+]Cc1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753063 213117421 /nfs/dbraw/zinc/11/74/21/213117421.db2.gz AAIJWTMZFAKBES-UHFFFAOYSA-N 1 0 328.250 4.815 10 0 EJAERO CCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000035575128 213038926 /nfs/dbraw/zinc/03/89/26/213038926.db2.gz PUDLTLULTQPKEL-AWEZNQCLSA-N 1 0 328.637 4.785 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1csc2ccccc21 ZINC000035554899 213038176 /nfs/dbraw/zinc/03/81/76/213038176.db2.gz UYWMIPMZUGWBNX-OAHLLOKOSA-N 1 0 336.254 4.956 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)cc1C ZINC000035542992 213037831 /nfs/dbraw/zinc/03/78/31/213037831.db2.gz FWDKJXZKCGKWGH-OAHLLOKOSA-N 1 0 340.286 4.527 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1Br ZINC000035498477 213031886 /nfs/dbraw/zinc/03/18/86/213031886.db2.gz JFAYRPBTYQZZGN-LBPRGKRZSA-N 1 0 334.641 4.612 10 0 EJAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1Br ZINC000035044144 213004780 /nfs/dbraw/zinc/00/47/80/213004780.db2.gz BSQVYULPZINYNL-HUBLWGQQSA-N 1 0 326.278 4.687 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000035464256 202304322 /nfs/dbraw/zinc/30/43/22/202304322.db2.gz OSSPOCNXOMBVFP-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000035464253 202305094 /nfs/dbraw/zinc/30/50/94/202305094.db2.gz OSSPOCNXOMBVFP-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035553114 202305464 /nfs/dbraw/zinc/30/54/64/202305464.db2.gz BNLZMFIUCJOSOV-ZDUSSCGKSA-N 1 0 330.678 4.863 10 0 EJAERO CCC[NH2+][C@H](c1cccs1)c1ccc(Br)cc1F ZINC000035581174 202306927 /nfs/dbraw/zinc/30/69/27/202306927.db2.gz UTTZIBFKTADUSD-AWEZNQCLSA-N 1 0 328.250 4.739 10 0 EJAERO CC(C)[C@@H]([NH3+])c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927956 202333888 /nfs/dbraw/zinc/33/38/88/202333888.db2.gz CZXWKPYMCPZXJT-CQSZACIVSA-N 1 0 328.250 4.973 10 0 EJAERO [NH3+][C@@H](c1ccc(-c2cc(Br)ccc2F)s1)C1CC1 ZINC000036753077 202331236 /nfs/dbraw/zinc/33/12/36/202331236.db2.gz MROOEOYYPGNRCG-CQSZACIVSA-N 1 0 326.234 4.727 10 0 EJAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013719496 201056744 /nfs/dbraw/zinc/05/67/44/201056744.db2.gz YDTJKXRHGRKQSX-UHFFFAOYSA-N 1 0 327.468 4.562 10 0 EJAERO Cc1ccn2cc(-c3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1 ZINC000001909625 201359123 /nfs/dbraw/zinc/35/91/23/201359123.db2.gz HHZLKORDNNRTRS-UHFFFAOYSA-N 1 0 349.478 4.565 10 0 EJAERO Clc1ccccc1C[N@@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000028642272 201388168 /nfs/dbraw/zinc/38/81/68/201388168.db2.gz VULJUBMONLMHMI-QGZVFWFLSA-N 1 0 337.854 4.575 10 0 EJAERO [NH3+]C[C@@H](Cc1ccc(Cl)s1)Cc1ccccc1Br ZINC000052948635 202653083 /nfs/dbraw/zinc/65/30/83/202653083.db2.gz PBUBWQMATYBGGR-SNVBAGLBSA-N 1 0 344.705 4.524 10 0 EJAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)C)cc1OCC ZINC000020932250 212189421 /nfs/dbraw/zinc/18/94/21/212189421.db2.gz FGPZCWVCFPWNGY-UHFFFAOYSA-N 1 0 344.293 4.525 10 0 EJAERO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1Br ZINC000020926060 212188658 /nfs/dbraw/zinc/18/86/58/212188658.db2.gz CQUCFHYBERUEAS-UHFFFAOYSA-N 1 0 348.284 4.836 10 0 EJAERO CC(C)(C)C[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969179 212091456 /nfs/dbraw/zinc/09/14/56/212091456.db2.gz VMWKTFLFGSABKQ-LLVKDONJSA-N 1 0 335.083 4.648 10 0 EJAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)c1cc(Br)ccc1F ZINC000019968856 212091135 /nfs/dbraw/zinc/09/11/35/212091135.db2.gz BJJSBXWYRDQQSS-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(Cl)cc1Br ZINC000019873759 212078689 /nfs/dbraw/zinc/07/86/89/212078689.db2.gz ZBSQMMYGZYKJEW-VIFPVBQESA-N 1 0 326.621 4.915 10 0 EJAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccccc1Br ZINC000043095523 204209795 /nfs/dbraw/zinc/20/97/95/204209795.db2.gz CGJVIGQWVASUPV-BLLLJJGKSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(F)cc1)c1ccccc1Br ZINC000043095818 204210454 /nfs/dbraw/zinc/21/04/54/204210454.db2.gz SQUHKBYCXYCMAY-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO Cc1ccc(C)c(S[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042959139 204183310 /nfs/dbraw/zinc/18/33/10/204183310.db2.gz BKAAJKHPLLDSPH-INIZCTEOSA-N 1 0 336.298 4.858 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1ccc(Br)cc1 ZINC000042956687 204183921 /nfs/dbraw/zinc/18/39/21/204183921.db2.gz IAVFTYWQKDANNW-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@@H](OC1CCCCCC1)c1cccc(Br)c1 ZINC000043023962 204197838 /nfs/dbraw/zinc/19/78/38/204197838.db2.gz CURSEZKNBGTHFV-MLGOLLRUSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000043022691 204201923 /nfs/dbraw/zinc/20/19/23/204201923.db2.gz UGVBNXKBWPEWBN-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccc(C)c(S[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042959142 213545688 /nfs/dbraw/zinc/54/56/88/213545688.db2.gz BKAAJKHPLLDSPH-MRXNPFEDSA-N 1 0 336.298 4.858 10 0 EJAERO [NH3+]C[C@@H](Sc1ccccc1Br)c1cccc(Cl)c1 ZINC000043019416 213550498 /nfs/dbraw/zinc/55/04/98/213550498.db2.gz RBRKGZJXUHNTLA-CQSZACIVSA-N 1 0 342.689 4.895 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043024133 213553396 /nfs/dbraw/zinc/55/33/96/213553396.db2.gz RGDOKBGBXAGJAZ-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO CC[C@H]([NH3+])[C@@H](OC1CCCCC1)c1ccccc1Br ZINC000043093939 213559868 /nfs/dbraw/zinc/55/98/68/213559868.db2.gz LEDIOZTZMZBAPR-HOTGVXAUSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccccc1Br ZINC000043094228 213560002 /nfs/dbraw/zinc/56/00/02/213560002.db2.gz UXVLOQHOJKOGTH-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO CC[NH2+]C[C@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052977993 206204841 /nfs/dbraw/zinc/20/48/41/206204841.db2.gz QNIBNPCBWAEHMH-AWEZNQCLSA-N 1 0 338.314 4.522 10 0 EJAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(C)cc1 ZINC000013724343 211622857 /nfs/dbraw/zinc/62/28/57/211622857.db2.gz LQJRAJCHOUVDDB-UHFFFAOYSA-N 1 0 327.468 4.718 10 0 EJAERO C[C@@H]([NH3+])c1ccc(Sc2cccc(Br)c2)c(F)c1 ZINC000055308052 518177721 /nfs/dbraw/zinc/17/77/21/518177721.db2.gz YSWWQKQFLIMZTE-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000011974659 563652116 /nfs/dbraw/zinc/65/21/16/563652116.db2.gz IQTBBNNLXUXPDK-GOSISDBHSA-N 1 0 349.478 4.920 10 0 EJAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013719152 563716084 /nfs/dbraw/zinc/71/60/84/563716084.db2.gz DZVNJZGTUPGFFT-UHFFFAOYSA-N 1 0 341.838 4.941 10 0 EJAERO CCOc1cccc(C[NH2+]CCC(C)C)c1OCc1ccccc1F ZINC000013724555 563718011 /nfs/dbraw/zinc/71/80/11/563718011.db2.gz MZVXJELLPJRPIL-UHFFFAOYSA-N 1 0 345.458 4.939 10 0 EJAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000725269292 563987625 /nfs/dbraw/zinc/98/76/25/563987625.db2.gz OSLHMOPMVWKIQH-UHFFFAOYSA-N 1 0 332.232 4.754 10 0 EJAERO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013718762 564020598 /nfs/dbraw/zinc/02/05/98/564020598.db2.gz CGSXFYWPBZXCDI-UHFFFAOYSA-N 1 0 347.458 4.607 10 0 EJAERO CCOc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1F ZINC000013729950 564020656 /nfs/dbraw/zinc/02/06/56/564020656.db2.gz OPZGEKMSEZNLTQ-UHFFFAOYSA-N 1 0 331.431 4.549 10 0 EJAERO C[C@H]([NH3+])c1cc(Cl)ccc1OCc1cccc(Br)c1 ZINC000050209332 214050556 /nfs/dbraw/zinc/05/05/56/214050556.db2.gz RHEUCGXIXUWSRT-JTQLQIEISA-N 1 0 340.648 4.701 10 0 EJAERO CCOc1ccc(C)cc1[C@H]([NH2+]C)c1ccc(Br)s1 ZINC000051599231 214098700 /nfs/dbraw/zinc/09/87/00/214098700.db2.gz PZQRRHOOCNMXLW-HNNXBMFYSA-N 1 0 340.286 4.527 10 0 EJAERO [NH3+]C[C@H](Sc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000054185372 214222320 /nfs/dbraw/zinc/22/23/20/214222320.db2.gz ZVJKBPNLXUALAJ-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO CCOc1ccc(Nc2cc[nH+]c3cc(OC)ccc23)cc1OCC ZINC000054202392 214223153 /nfs/dbraw/zinc/22/31/53/214223153.db2.gz RLJBPUMYCHUTBU-UHFFFAOYSA-N 1 0 338.407 4.784 10 0 EJAERO CCOc1cc2[nH+]ccc(Nc3ccccc3OC)c2cc1OCC ZINC000054202398 214223381 /nfs/dbraw/zinc/22/33/81/214223381.db2.gz MFIDCJIFGFPPBZ-UHFFFAOYSA-N 1 0 338.407 4.784 10 0 EJAERO COc1ccc2c(Nc3cc(OC)c(Cl)cc3OC)cc[nH+]c2c1 ZINC000054202387 214223952 /nfs/dbraw/zinc/22/39/52/214223952.db2.gz AKLKTZCXPSLIIV-UHFFFAOYSA-N 1 0 344.798 4.658 10 0 EJAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1OC ZINC000020930828 212190096 /nfs/dbraw/zinc/19/00/96/212190096.db2.gz OGAHLMFBMSKVBJ-UHFFFAOYSA-N 1 0 349.474 4.970 10 0 EJAERO Cc1ccsc1[C@@H](Sc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000055307245 214303648 /nfs/dbraw/zinc/30/36/48/214303648.db2.gz JIBUUBQIOSAGJJ-YGRLFVJLSA-N 1 0 342.327 5.000 10 0 EJAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1cccc(Br)c1 ZINC000055308068 214304105 /nfs/dbraw/zinc/30/41/05/214304105.db2.gz SDRUCJCZLLPLNF-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO Cc1ccc([C@@H](Sc2cccc(Br)c2)[C@@H](C)[NH3+])o1 ZINC000055307291 214304249 /nfs/dbraw/zinc/30/42/49/214304249.db2.gz UNUFRNPPSNVLSI-YGRLFVJLSA-N 1 0 326.259 4.531 10 0 EJAERO CCC[NH2+][C@H](c1cc(Br)ccc1OCC)C1CCC1 ZINC000035586880 201740674 /nfs/dbraw/zinc/74/06/74/201740674.db2.gz JGEFTOHCIAKTOK-INIZCTEOSA-N 1 0 326.278 4.689 10 0 EJAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(F)cc1Br)c1cccs1 ZINC000043107807 213561709 /nfs/dbraw/zinc/56/17/09/213561709.db2.gz JANAUERBWQPSNN-SMDDNHRTSA-N 1 0 344.249 4.507 10 0 EJAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(F)c(C)c1 ZINC000103940742 219331448 /nfs/dbraw/zinc/33/14/48/219331448.db2.gz KWXNSIUUMWDSEL-HNNXBMFYSA-N 1 0 342.277 4.851 10 0 EJAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC000103951477 219332226 /nfs/dbraw/zinc/33/22/26/219332226.db2.gz KKLVDCOJUZUTOF-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1Cc1sccc1Br ZINC000103936085 219329948 /nfs/dbraw/zinc/32/99/48/219329948.db2.gz LTQIOFCZVFGGGD-SGMGOOAPSA-N 1 0 330.335 4.713 10 0 EJAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1ccc(F)cc1 ZINC000103929477 219330113 /nfs/dbraw/zinc/33/01/13/219330113.db2.gz LQMPTYZZIUXZLJ-OAHLLOKOSA-N 1 0 342.277 4.933 10 0 EJAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1cccc(F)c1 ZINC000103932315 219330300 /nfs/dbraw/zinc/33/03/00/219330300.db2.gz DBBZBDBOESNNQD-CQSZACIVSA-N 1 0 342.277 4.933 10 0 EJAERO CCCC[N@H+]([C@H](C)CC)[C@@H](c1ccc(Br)s1)[C@@H](C)N ZINC000103931970 219330347 /nfs/dbraw/zinc/33/03/47/219330347.db2.gz FSZJLEVFHUMLEJ-LALPHHSUSA-N 1 0 347.366 4.800 10 0 EJAERO CC(C)[NH2+]Cc1cccc(Br)c1OCC1CCCC1 ZINC000103988526 219335955 /nfs/dbraw/zinc/33/59/55/219335955.db2.gz UYCANCFYMNSKOS-UHFFFAOYSA-N 1 0 326.278 4.516 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C ZINC000103987501 219336459 /nfs/dbraw/zinc/33/64/59/219336459.db2.gz GIGBRIZJPUZPFT-DOMZBBRYSA-N 1 0 326.278 4.516 10 0 EJAERO C[C@@H]1C[C@H](O[C@@H](C[NH3+])c2cc(Br)cs2)CC(C)(C)C1 ZINC000103994720 219336753 /nfs/dbraw/zinc/33/67/53/219336753.db2.gz PEZDSFWWFYAKTN-WXHSDQCUSA-N 1 0 346.334 4.742 10 0 EJAERO CCC[NH2+]C[C@H](Cc1ccc(F)cc1Br)CC(C)C ZINC000103999265 219337104 /nfs/dbraw/zinc/33/71/04/219337104.db2.gz IQTSNLCVRRQLGQ-ZDUSSCGKSA-N 1 0 330.285 4.793 10 0 EJAERO CCC[C@@H](C[NH2+]C(C)(C)C)Cc1cc(Br)ccc1F ZINC000104004739 219337732 /nfs/dbraw/zinc/33/77/32/219337732.db2.gz KMLFTFBMFGBBNZ-GFCCVEGCSA-N 1 0 330.285 4.935 10 0 EJAERO CCC[C@@H](C[NH2+]CC(C)C)Cc1cc(F)ccc1Br ZINC000104007367 219337819 /nfs/dbraw/zinc/33/78/19/219337819.db2.gz XVOMENYOOQFBHU-CYBMUJFWSA-N 1 0 330.285 4.793 10 0 EJAERO CCCC[C@H](CC)COc1c(Br)cccc1CC[NH3+] ZINC000104030933 219340532 /nfs/dbraw/zinc/34/05/32/219340532.db2.gz CGPCETZTYOLCOB-ZDUSSCGKSA-N 1 0 328.294 4.546 10 0 EJAERO CCC[C@@H](C)COc1ccc(C[NH2+]C(C)C)cc1Br ZINC000103969487 219334381 /nfs/dbraw/zinc/33/43/81/219334381.db2.gz QRYLZJVRMHZYGA-CYBMUJFWSA-N 1 0 328.294 4.762 10 0 EJAERO Fc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1Br ZINC000103980839 219335119 /nfs/dbraw/zinc/33/51/19/219335119.db2.gz LFCUNFQZMFQYMR-CJNGLKHVSA-N 1 0 326.253 4.743 10 0 EJAERO CCCC[C@@H](CC)COc1c(Br)cccc1CC[NH3+] ZINC000104030931 219340699 /nfs/dbraw/zinc/34/06/99/219340699.db2.gz CGPCETZTYOLCOB-CYBMUJFWSA-N 1 0 328.294 4.546 10 0 EJAERO C[NH2+][C@H](C)c1ccc(OC2CCCCCC2)c(Br)c1 ZINC000104178617 219355413 /nfs/dbraw/zinc/35/54/13/219355413.db2.gz BJGKPINKYPKFFO-GFCCVEGCSA-N 1 0 326.278 4.831 10 0 EJAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(Br)cc1C ZINC000104174540 219355524 /nfs/dbraw/zinc/35/55/24/219355524.db2.gz CRKUVHNWBALJBY-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1F ZINC000104175773 219355827 /nfs/dbraw/zinc/35/58/27/219355827.db2.gz LNOWUPDLZHAAQS-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1ccc(C)c(Cl)c1 ZINC000104185443 219356976 /nfs/dbraw/zinc/35/69/76/219356976.db2.gz UOJJVTUUVCWCRA-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO [NH3+][C@H](Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000104184438 219357207 /nfs/dbraw/zinc/35/72/07/219357207.db2.gz OXGJDHBFDTUGCC-CQSZACIVSA-N 1 0 345.067 4.998 10 0 EJAERO Cc1cc(Sc2ccc(Br)cc2)ccc1C[C@@H](C)[NH3+] ZINC000104290110 219370115 /nfs/dbraw/zinc/37/01/15/219370115.db2.gz QQLHSPKCUJYPLJ-GFCCVEGCSA-N 1 0 336.298 4.798 10 0 EJAERO Cc1cc(Sc2ccccc2Br)ccc1C[C@H](C)[NH3+] ZINC000104300919 219372203 /nfs/dbraw/zinc/37/22/03/219372203.db2.gz IYMZBBJQYVHYLD-LBPRGKRZSA-N 1 0 336.298 4.798 10 0 EJAERO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OC(C)C ZINC000040728989 213377611 /nfs/dbraw/zinc/37/76/11/213377611.db2.gz ZCEBCVQKLYQTAB-UHFFFAOYSA-N 1 0 344.293 4.523 10 0 EJAERO CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040405335 213298418 /nfs/dbraw/zinc/29/84/18/213298418.db2.gz PJIRCULXDRCSFX-UHFFFAOYSA-N 1 0 327.394 4.520 10 0 EJAERO C[N@H+]1Cc2sc(Cl)cc2[C@H](c2ccc(Br)cc2)C1 ZINC000038157572 213204013 /nfs/dbraw/zinc/20/40/13/213204013.db2.gz GBOOWQOKZGRVLO-LBPRGKRZSA-N 1 0 342.689 4.741 10 0 EJAERO [NH3+][C@H](c1nc2cc(Br)ccc2n1C1CC1)C1CCCCC1 ZINC000038036839 213196280 /nfs/dbraw/zinc/19/62/80/213196280.db2.gz ORBFXARYYAIZSZ-INIZCTEOSA-N 1 0 348.288 4.714 10 0 EJAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032557 213194804 /nfs/dbraw/zinc/19/48/04/213194804.db2.gz YDPRIMKUXOUWSO-GOSISDBHSA-N 1 0 345.284 4.541 10 0 EJAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1csc(Br)c1 ZINC000037776096 202035803 /nfs/dbraw/zinc/03/58/03/202035803.db2.gz FENCUTCGURPQHM-SECBINFHSA-N 1 0 346.240 4.510 10 0 EJAERO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(Br)c1 ZINC000037984958 202078420 /nfs/dbraw/zinc/07/84/20/202078420.db2.gz WIAPZZPYFGGFHF-CYBMUJFWSA-N 1 0 341.252 4.848 10 0 EJAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000037226007 213136793 /nfs/dbraw/zinc/13/67/93/213136793.db2.gz VEXFDHDLKFXWTH-HNNXBMFYSA-N 1 0 340.648 4.549 10 0 EJAERO COc1ccc([C@H]([NH3+])C[C@H](C)CC(C)(C)C)cc1Br ZINC000036889612 213126558 /nfs/dbraw/zinc/12/65/58/213126558.db2.gz HNHCFSGZRXHCTD-SMDDNHRTSA-N 1 0 328.294 4.920 10 0 EJAERO Brc1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000070139222 215677011 /nfs/dbraw/zinc/67/70/11/215677011.db2.gz VDSZAXCMQTUOLO-UPJWGTAASA-N 1 0 328.319 4.959 10 0 EJAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000070139037 215677156 /nfs/dbraw/zinc/67/71/56/215677156.db2.gz JESVVFYIUQFCPJ-RISCZKNCSA-N 1 0 346.696 4.650 10 0 EJAERO C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000070139040 215677440 /nfs/dbraw/zinc/67/74/40/215677440.db2.gz JESVVFYIUQFCPJ-SMDDNHRTSA-N 1 0 346.696 4.650 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@@H](C)CCC ZINC000035572533 213038848 /nfs/dbraw/zinc/03/88/48/213038848.db2.gz IFZVEYRAZWDCDX-BLLLJJGKSA-N 1 0 328.294 4.935 10 0 EJAERO CC[NH2+][C@@H](c1cc(Br)ccc1Br)C(C)(C)C ZINC000035541741 213038130 /nfs/dbraw/zinc/03/81/30/213038130.db2.gz YLRBFCIDOJMASY-LBPRGKRZSA-N 1 0 349.110 4.908 10 0 EJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cc(F)ccc1Br ZINC000035537892 213036655 /nfs/dbraw/zinc/03/66/55/213036655.db2.gz AWFUCUJAAZYOKU-HNNXBMFYSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(Br)ccc1F ZINC000035510115 213035117 /nfs/dbraw/zinc/03/51/17/213035117.db2.gz QABVHJHWKHHOEW-AWEZNQCLSA-N 1 0 328.250 4.657 10 0 EJAERO CC[NH2+][C@@H](c1sccc1C)c1cc(Br)ccc1OC ZINC000035508747 213033313 /nfs/dbraw/zinc/03/33/13/213033313.db2.gz CDKHWXDKBBBCFM-CQSZACIVSA-N 1 0 340.286 4.527 10 0 EJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cc(F)cc(Br)c1 ZINC000035537340 213036513 /nfs/dbraw/zinc/03/65/13/213036513.db2.gz VYUNKFTZGQUHKY-HNNXBMFYSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000035539172 213036031 /nfs/dbraw/zinc/03/60/31/213036031.db2.gz GXVDJEAEEBKRSP-OAHLLOKOSA-N 1 0 342.639 4.941 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000035539170 213036042 /nfs/dbraw/zinc/03/60/42/213036042.db2.gz GXVDJEAEEBKRSP-HNNXBMFYSA-N 1 0 342.639 4.941 10 0 EJAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1cc(Br)ccc1Cl ZINC000035494197 213032349 /nfs/dbraw/zinc/03/23/49/213032349.db2.gz XLRRRCLKQWHFSF-AWEZNQCLSA-N 1 0 346.602 4.690 10 0 EJAERO C[NH2+][C@H](CCC(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035458208 213030717 /nfs/dbraw/zinc/03/07/17/213030717.db2.gz CJMYBKYQIFUFSO-CYBMUJFWSA-N 1 0 334.685 4.808 10 0 EJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458201 213030451 /nfs/dbraw/zinc/03/04/51/213030451.db2.gz RAPLVFUKTRSUQR-TVQRCGJNSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(Br)ccc1F ZINC000035464268 213030028 /nfs/dbraw/zinc/03/00/28/213030028.db2.gz VNHXOSJVKTZDNZ-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000035464620 213030038 /nfs/dbraw/zinc/03/00/38/213030038.db2.gz NFNGEDNVIMFKDT-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(Br)ccc1F ZINC000035464265 213030191 /nfs/dbraw/zinc/03/01/91/213030191.db2.gz VNHXOSJVKTZDNZ-AWEZNQCLSA-N 1 0 328.612 4.550 10 0 EJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035458737 213029774 /nfs/dbraw/zinc/02/97/74/213029774.db2.gz ZOMMCEWILNGLNA-CYBMUJFWSA-N 1 0 330.678 4.781 10 0 EJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(F)ccc1Br ZINC000035510357 213034757 /nfs/dbraw/zinc/03/47/57/213034757.db2.gz BZFLCCLQUYZCKU-CQSZACIVSA-N 1 0 328.250 4.657 10 0 EJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cc(F)cc(Br)c1 ZINC000035552028 213037501 /nfs/dbraw/zinc/03/75/01/213037501.db2.gz XAHFUXWQYHQOIZ-OAHLLOKOSA-N 1 0 342.277 4.965 10 0 EJAERO [NH3+][C@H](c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000035382391 202299979 /nfs/dbraw/zinc/29/99/79/202299979.db2.gz AVGQNFGPNGXMFO-NSHDSACASA-N 1 0 337.069 4.866 10 0 EJAERO CC[NH2+][C@H](c1cc(Br)ccc1Br)C(C)(C)C ZINC000035541742 202305937 /nfs/dbraw/zinc/30/59/37/202305937.db2.gz YLRBFCIDOJMASY-GFCCVEGCSA-N 1 0 349.110 4.908 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1Br ZINC000035553602 202306113 /nfs/dbraw/zinc/30/61/13/202306113.db2.gz VDCLNEZVQDDRCC-CYBMUJFWSA-N 1 0 330.678 4.863 10 0 EJAERO CCC[NH2+][C@H](c1cccs1)c1cc(F)cc(Br)c1 ZINC000035581105 202307382 /nfs/dbraw/zinc/30/73/82/202307382.db2.gz MHVZSCNJHZUSSJ-AWEZNQCLSA-N 1 0 328.250 4.739 10 0 EJAERO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000020931558 212189494 /nfs/dbraw/zinc/18/94/94/212189494.db2.gz MPCULMPKRCDIOY-UHFFFAOYSA-N 1 0 337.822 4.566 10 0 EJAERO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1OC ZINC000020930841 212189355 /nfs/dbraw/zinc/18/93/55/212189355.db2.gz XGCNCGFQFKLYHI-UHFFFAOYSA-N 1 0 335.447 4.927 10 0 EJAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C(C)(C)CO)cc1 ZINC000020874163 212179434 /nfs/dbraw/zinc/17/94/34/212179434.db2.gz OQYXYEPGINDBRE-UHFFFAOYSA-N 1 0 349.474 4.588 10 0 EJAERO Cc1ccc([C@@H]([NH3+])c2cc(C(F)(F)F)ccc2Br)cc1 ZINC000019971837 212093029 /nfs/dbraw/zinc/09/30/29/212093029.db2.gz JVEFZYUXLTYXEZ-CQSZACIVSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1F ZINC000019968860 212091274 /nfs/dbraw/zinc/09/12/74/212091274.db2.gz PENOUQPJVHTXFU-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccc(F)cc1Br ZINC000019873463 212078266 /nfs/dbraw/zinc/07/82/66/212078266.db2.gz NHINFHXIAPQEMK-QMMMGPOBSA-N 1 0 328.156 4.539 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000019804132 212070741 /nfs/dbraw/zinc/07/07/41/212070741.db2.gz XFTRGPYVJUZDIG-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO [NH3+][C@H](c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000019804120 212070799 /nfs/dbraw/zinc/07/07/99/212070799.db2.gz MFHIVGATYIJDKN-CYBMUJFWSA-N 1 0 331.040 4.804 10 0 EJAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])Cc1ccc(Br)s1 ZINC000103948004 204090214 /nfs/dbraw/zinc/09/02/14/204090214.db2.gz JKBQSRILIHZBDY-SWLSCSKDSA-N 1 0 330.335 4.987 10 0 EJAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2sccc2Br)C1 ZINC000103949319 204090466 /nfs/dbraw/zinc/09/04/66/204090466.db2.gz NFYQUOHMHPNMAS-DMDPSCGWSA-N 1 0 330.335 4.843 10 0 EJAERO CCCCCCO[C@H](c1ccc(Br)s1)[C@H]([NH3+])CC ZINC000103972015 204090511 /nfs/dbraw/zinc/09/05/11/204090511.db2.gz JUZFFIAXYYEDNO-RISCZKNCSA-N 1 0 334.323 4.886 10 0 EJAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000103948227 204090880 /nfs/dbraw/zinc/09/08/80/204090880.db2.gz IDSOQWRMLLZJOU-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO Cc1ccccc1[C@@H](Sc1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000043041517 204209347 /nfs/dbraw/zinc/20/93/47/204209347.db2.gz MOPLPNFXHMXLDD-WBMJQRKESA-N 1 0 336.298 4.938 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1ccccc1Br ZINC000043094813 204209918 /nfs/dbraw/zinc/20/99/18/204209918.db2.gz KKXULPKFLASXSR-MAZHCROVSA-N 1 0 328.294 4.679 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1F)c1ccccc1Br ZINC000043095775 204209938 /nfs/dbraw/zinc/20/99/38/204209938.db2.gz KSRKMDOSMFUJQF-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1ccccc1Cl ZINC000043087122 204211665 /nfs/dbraw/zinc/21/16/65/204211665.db2.gz LYLLWHHJFWPEJU-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Br)c1ccc(F)cc1 ZINC000042943616 204183452 /nfs/dbraw/zinc/18/34/52/204183452.db2.gz XCRGBJXRZSDWJD-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1ccc(Br)cc1 ZINC000042958395 204184049 /nfs/dbraw/zinc/18/40/49/204184049.db2.gz AIOYAOBOUWIUQC-LRDDRELGSA-N 1 0 326.278 4.577 10 0 EJAERO Cc1cccc(S[C@H](c2ccc(Br)cc2)[C@H](C)[NH3+])c1 ZINC000042959796 204186067 /nfs/dbraw/zinc/18/60/67/204186067.db2.gz LDHGAUVVKOMRSJ-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO CC[C@H]([NH3+])[C@@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024783 204197006 /nfs/dbraw/zinc/19/70/06/204197006.db2.gz RUCPEQQBRSQOKB-GJZGRUSLSA-N 1 0 340.286 4.754 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1cccc(Br)c1 ZINC000043022554 204202753 /nfs/dbraw/zinc/20/27/53/204202753.db2.gz SOGGTLOWUSCJSS-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1cccc(Cl)c1)c1ccccc1Br ZINC000043094394 213559133 /nfs/dbraw/zinc/55/91/33/213559133.db2.gz LIEIMJLZHUDYRM-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1ccc(C)c(S[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043096014 213560239 /nfs/dbraw/zinc/56/02/39/213560239.db2.gz QDXZOZFISBVJKD-INIZCTEOSA-N 1 0 336.298 4.858 10 0 EJAERO CCc1ccc2oc(-c3cc[n+](Cc4cccc(F)c4)cc3)nc2c1 ZINC000226307676 205125573 /nfs/dbraw/zinc/12/55/73/205125573.db2.gz YMTTYMLGPOZRHP-UHFFFAOYSA-N 1 0 333.386 4.532 10 0 EJAERO CC[NH2+][C@@H](C)c1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000052924487 206178506 /nfs/dbraw/zinc/17/85/06/206178506.db2.gz UBRRNQKEBUFEGV-QMMMGPOBSA-N 1 0 330.172 4.658 10 0 EJAERO CC[C@@](C)(CCOc1ccc(Br)cc1)C[NH2+]C(C)C ZINC000104007608 206481822 /nfs/dbraw/zinc/48/18/22/206481822.db2.gz IYSREASMESHWLE-INIZCTEOSA-N 1 0 328.294 4.632 10 0 EJAERO CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474006 211176092 /nfs/dbraw/zinc/17/60/92/211176092.db2.gz WIDLDOLTKXZLHB-UHFFFAOYSA-N 1 0 348.284 4.918 10 0 EJAERO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000010435892 211172611 /nfs/dbraw/zinc/17/26/11/211172611.db2.gz JNYPMSMMCYRKQE-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Br ZINC000010473898 563647948 /nfs/dbraw/zinc/64/79/48/563647948.db2.gz YMFSEIRHLQUTGL-ZDUSSCGKSA-N 1 0 334.257 4.699 10 0 EJAERO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013718592 563715719 /nfs/dbraw/zinc/71/57/19/563715719.db2.gz IVUVMZFXZJUROX-UHFFFAOYSA-N 1 0 347.458 4.607 10 0 EJAERO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(F)cc1 ZINC000013724165 563717590 /nfs/dbraw/zinc/71/75/90/563717590.db2.gz ZYYHUTIDBNCXLF-UHFFFAOYSA-N 1 0 331.431 4.549 10 0 EJAERO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010436359 564017418 /nfs/dbraw/zinc/01/74/18/564017418.db2.gz OCWRWHGZLCBATR-UHFFFAOYSA-N 1 0 333.859 4.734 10 0 EJAERO CCOc1cccc(C[NH2+]C)c1OCc1ccc(Cl)cc1Cl ZINC000013717515 564020606 /nfs/dbraw/zinc/02/06/06/564020606.db2.gz LFGMMDMXKPIRBT-UHFFFAOYSA-N 1 0 340.250 4.691 10 0 EJAERO C[NH+](C)CCCN1c2cc(O)ccc2Sc2ccc(Cl)cc21 ZINC000000043986 564082385 /nfs/dbraw/zinc/08/23/85/564082385.db2.gz UBUDVAYGFVRZCO-UHFFFAOYSA-N 1 0 334.872 4.600 10 0 EJAERO CCC[NH+](CCC)Cc1cc(C)c(I)cc1C ZINC000675075130 564113070 /nfs/dbraw/zinc/11/30/70/564113070.db2.gz HENQAEJDKISTNH-UHFFFAOYSA-N 1 0 345.268 4.530 10 0 EJAERO COc1ccc(C[NH2+]CCC2CCC(C)CC2)c(Br)c1 ZINC000312896124 564116771 /nfs/dbraw/zinc/11/67/71/564116771.db2.gz XFCKEYPOEAXGPF-UHFFFAOYSA-N 1 0 340.305 4.764 10 0 EJAERO CC[N@H+](CC(C)C)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952225 564177044 /nfs/dbraw/zinc/17/70/44/564177044.db2.gz BBVKYKCGPFSWGU-IBGZPJMESA-N 1 0 326.525 4.534 10 0 EJAERO Cc1cc(Cl)c(C(C)C)cc1O[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616568955 564177353 /nfs/dbraw/zinc/17/73/53/564177353.db2.gz FYKRYXMUBBNTPX-LBPRGKRZSA-N 1 0 345.739 4.676 10 0 EJAERO C[C@]([NH3+])(Cc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000053756949 214196442 /nfs/dbraw/zinc/19/64/42/214196442.db2.gz LPAHWCSGRFJKJH-ZDUSSCGKSA-N 1 0 330.678 4.581 10 0 EJAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1F)c1ccsc1 ZINC000053822921 214200312 /nfs/dbraw/zinc/20/03/12/214200312.db2.gz DIWHMYDTMIBVLJ-AWEZNQCLSA-N 1 0 328.250 4.543 10 0 EJAERO Cc1ccccc1CS[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000054963949 214260726 /nfs/dbraw/zinc/26/07/26/214260726.db2.gz HSIOZEFUHPRNAP-INIZCTEOSA-N 1 0 336.298 4.691 10 0 EJAERO CCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O ZINC000100130112 219092566 /nfs/dbraw/zinc/09/25/66/219092566.db2.gz DFUMBTGBUROVGN-BFUOFWGJSA-N 1 0 347.474 4.829 10 0 EJAERO Cc1cccc(S[C@@H](c2ccc(Br)cc2)[C@H](C)[NH3+])c1 ZINC000042959793 213546405 /nfs/dbraw/zinc/54/64/05/213546405.db2.gz LDHGAUVVKOMRSJ-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000103934124 219330583 /nfs/dbraw/zinc/33/05/83/219330583.db2.gz NQLPOKWYEAFSLP-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1Cc1cc(Br)cs1 ZINC000103934769 219330588 /nfs/dbraw/zinc/33/05/88/219330588.db2.gz YYERIYZXMVTWEI-LRDDRELGSA-N 1 0 336.298 4.706 10 0 EJAERO CCC[NH2+][C@@H](CCC(C)C)Cc1cc(F)ccc1Br ZINC000103942138 219331554 /nfs/dbraw/zinc/33/15/54/219331554.db2.gz WSLRRCMATNRPQA-HNNXBMFYSA-N 1 0 330.285 4.935 10 0 EJAERO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000103951442 219332104 /nfs/dbraw/zinc/33/21/04/219332104.db2.gz HWZFNOIFPLLKNS-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO CCCCC[NH2+]C[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000103995317 219336681 /nfs/dbraw/zinc/33/66/81/219336681.db2.gz IWRBCISNDKBWAZ-LLVKDONJSA-N 1 0 334.685 4.650 10 0 EJAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1ccc(Br)cc1F ZINC000103997925 219337314 /nfs/dbraw/zinc/33/73/14/219337314.db2.gz VYOICXORZVIUDF-INIZCTEOSA-N 1 0 330.285 4.935 10 0 EJAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1ccc(F)cc1Br ZINC000103999464 219337349 /nfs/dbraw/zinc/33/73/49/219337349.db2.gz GBPUIDQVIGFUAU-INIZCTEOSA-N 1 0 330.285 4.935 10 0 EJAERO CC[NH2+]CC1(Cc2cc(Br)ccc2F)CCCCC1 ZINC000104002327 219337503 /nfs/dbraw/zinc/33/75/03/219337503.db2.gz JKXXIEANNIHHKL-UHFFFAOYSA-N 1 0 328.269 4.691 10 0 EJAERO CCC(CC)(C[NH2+]C1CC1)Cc1ccc(F)cc1Br ZINC000104009138 219337722 /nfs/dbraw/zinc/33/77/22/219337722.db2.gz IPKOSKCWLVRTIZ-UHFFFAOYSA-N 1 0 328.269 4.689 10 0 EJAERO CCC[NH2+]C[C@@H](Oc1ccc(Cl)cc1Br)C(C)C ZINC000104005967 219338057 /nfs/dbraw/zinc/33/80/57/219338057.db2.gz MZUFNJHALFOAHX-CQSZACIVSA-N 1 0 334.685 4.506 10 0 EJAERO CC(C)C[C@H](C[NH2+]C(C)C)Cc1cc(F)ccc1Br ZINC000104003393 219338375 /nfs/dbraw/zinc/33/83/75/219338375.db2.gz SZTGMHZCVMUQEM-ZDUSSCGKSA-N 1 0 330.285 4.791 10 0 EJAERO CC[C@](C)(C[NH2+]C(C)(C)C)Cc1cc(F)ccc1Br ZINC000104014466 219338914 /nfs/dbraw/zinc/33/89/14/219338914.db2.gz JDLQGLPLMMICJX-INIZCTEOSA-N 1 0 330.285 4.935 10 0 EJAERO CCCCCCO[C@H](C[NH2+]CC)c1ccc(Br)cc1 ZINC000103969347 219334370 /nfs/dbraw/zinc/33/43/70/219334370.db2.gz ACZAFOYKVCPIRZ-MRXNPFEDSA-N 1 0 328.294 4.697 10 0 EJAERO CCC[C@@H](C)COc1ccc(C[C@@H]([NH3+])CC)cc1Br ZINC000104040743 219341122 /nfs/dbraw/zinc/34/11/22/219341122.db2.gz DCABIYVGTGNEHR-OCCSQVGLSA-N 1 0 328.294 4.544 10 0 EJAERO C[NH2+][C@H](Cc1cccc(F)c1)c1cc(Br)ccc1Cl ZINC000104175757 219355271 /nfs/dbraw/zinc/35/52/71/219355271.db2.gz JHPXMHHNWRKTGT-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC(C)C)c(Br)c1 ZINC000104179901 219355672 /nfs/dbraw/zinc/35/56/72/219355672.db2.gz YQISDBHQANPTKS-OLZOCXBDSA-N 1 0 328.294 4.933 10 0 EJAERO Cc1cc(Br)ccc1[C@H]([NH3+])Cc1c(F)cccc1Cl ZINC000104186396 219357395 /nfs/dbraw/zinc/35/73/95/219357395.db2.gz OPZYTMOUZFPNLQ-OAHLLOKOSA-N 1 0 342.639 4.793 10 0 EJAERO C[C@@H]([NH3+])Cc1ccc(Br)cc1Oc1ccccc1Cl ZINC000104285548 219369908 /nfs/dbraw/zinc/36/99/08/219369908.db2.gz LIONEJOHPAPWRE-SNVBAGLBSA-N 1 0 340.648 4.785 10 0 EJAERO C[C@H]([NH3+])Cc1ccccc1Oc1ccc(Br)cc1Cl ZINC000104296338 219371581 /nfs/dbraw/zinc/37/15/81/219371581.db2.gz VNKYCZYCYKYJRY-JTQLQIEISA-N 1 0 340.648 4.785 10 0 EJAERO CC(C)[NH2+]Cc1ccc(Br)cc1SC1CCCC1 ZINC000104292045 219370957 /nfs/dbraw/zinc/37/09/57/219370957.db2.gz IKPZOVUMMLHJBH-UHFFFAOYSA-N 1 0 328.319 4.982 10 0 EJAERO CCC(CC)[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000104447041 219386720 /nfs/dbraw/zinc/38/67/20/219386720.db2.gz PMKYJWXSHJSPMA-ABAIWWIYSA-N 1 0 326.278 4.687 10 0 EJAERO CCC(CC)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000104447044 219387280 /nfs/dbraw/zinc/38/72/80/219387280.db2.gz PMKYJWXSHJSPMA-NHYWBVRUSA-N 1 0 326.278 4.687 10 0 EJAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(Br)c1 ZINC000104441599 219387561 /nfs/dbraw/zinc/38/75/61/219387561.db2.gz NWGPOPQEJUGMGX-RISCZKNCSA-N 1 0 328.294 4.791 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)s1)c1ccccc1Cl ZINC000040451634 213305136 /nfs/dbraw/zinc/30/51/36/213305136.db2.gz BBIHDKDGVXLHFM-ZDUSSCGKSA-N 1 0 330.678 4.863 10 0 EJAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040403902 213299012 /nfs/dbraw/zinc/29/90/12/213299012.db2.gz WIBRFGZFYYYMCE-UHFFFAOYSA-N 1 0 331.847 4.682 10 0 EJAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040404070 213298870 /nfs/dbraw/zinc/29/88/70/213298870.db2.gz WGOUJBBPLSCGNQ-UHFFFAOYSA-N 1 0 347.384 4.674 10 0 EJAERO C[NH+](C)CCCn1c2ccccc2nc1Cc1cccc2ccccc21 ZINC000040389638 213296154 /nfs/dbraw/zinc/29/61/54/213296154.db2.gz PKOLERFFJZLCGY-UHFFFAOYSA-N 1 0 343.474 4.732 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000019804131 202022117 /nfs/dbraw/zinc/02/21/17/202022117.db2.gz XFTRGPYVJUZDIG-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO Clc1ccc([C@H]([NH2+]C[C@H]2CCCOC2)c2cccs2)s1 ZINC000038045033 213197385 /nfs/dbraw/zinc/19/73/85/213197385.db2.gz OINVTATVHFOIKV-IAQYHMDHSA-N 1 0 327.902 4.569 10 0 EJAERO [NH3+][C@@H](c1nc2cc(Br)ccc2s1)C1CCCCC1 ZINC000038036888 213195731 /nfs/dbraw/zinc/19/57/31/213195731.db2.gz QHKQHQRTJYWTOA-CYBMUJFWSA-N 1 0 325.275 4.639 10 0 EJAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1cc(Br)cs1 ZINC000037776138 202036047 /nfs/dbraw/zinc/03/60/47/202036047.db2.gz UPOQBTKSLARBPW-SECBINFHSA-N 1 0 346.240 4.510 10 0 EJAERO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(Br)c1 ZINC000037984957 213183396 /nfs/dbraw/zinc/18/33/96/213183396.db2.gz WIAPZZPYFGGFHF-ZDUSSCGKSA-N 1 0 341.252 4.848 10 0 EJAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)cc1Br ZINC000035581317 213038510 /nfs/dbraw/zinc/03/85/10/213038510.db2.gz DSXBVEJHNYMSJP-AWEZNQCLSA-N 1 0 328.250 4.739 10 0 EJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035510402 213035315 /nfs/dbraw/zinc/03/53/15/213035315.db2.gz BYEAJHLGHZOSNN-CQSZACIVSA-N 1 0 328.250 4.657 10 0 EJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(F)cc(Br)c1 ZINC000035509978 213034710 /nfs/dbraw/zinc/03/47/10/213034710.db2.gz KLYLRNCUARROPL-CQSZACIVSA-N 1 0 328.250 4.657 10 0 EJAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000035538790 213035912 /nfs/dbraw/zinc/03/59/12/213035912.db2.gz HTLGVMZZTZHBKB-MRXNPFEDSA-N 1 0 336.298 4.698 10 0 EJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Br)cc1F ZINC000035510107 213035731 /nfs/dbraw/zinc/03/57/31/213035731.db2.gz NLUAQVAOJWHAQG-CQSZACIVSA-N 1 0 328.250 4.657 10 0 EJAERO C[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)C1CCCC1 ZINC000035458550 213030571 /nfs/dbraw/zinc/03/05/71/213030571.db2.gz VREDPJSSEWMHLJ-ZDUSSCGKSA-N 1 0 332.669 4.562 10 0 EJAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC ZINC000035256871 213015237 /nfs/dbraw/zinc/01/52/37/213015237.db2.gz ATNGEWJASJGURP-DOMZBBRYSA-N 1 0 326.278 4.516 10 0 EJAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC ZINC000035256874 213015735 /nfs/dbraw/zinc/01/57/35/213015735.db2.gz ATNGEWJASJGURP-SWLSCSKDSA-N 1 0 326.278 4.516 10 0 EJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccc(Cl)cc1F ZINC000035462611 213029780 /nfs/dbraw/zinc/02/97/80/213029780.db2.gz RTFYWRZPHDKBIC-CQSZACIVSA-N 1 0 328.612 4.550 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035551997 213038015 /nfs/dbraw/zinc/03/80/15/213038015.db2.gz VMUIEJYUDFRDBE-CYBMUJFWSA-N 1 0 330.316 4.888 10 0 EJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(Br)cc2F)s1 ZINC000034673484 202275099 /nfs/dbraw/zinc/27/50/99/202275099.db2.gz OZSMWHFBZJTKFM-GFCCVEGCSA-N 1 0 328.250 4.987 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035497985 202304802 /nfs/dbraw/zinc/30/48/02/202304802.db2.gz VPZKYTNLGFYPND-GFCCVEGCSA-N 1 0 334.641 4.612 10 0 EJAERO Cc1cc(Oc2cc(Br)ccc2C[NH3+])ccc1Cl ZINC000036985447 213128441 /nfs/dbraw/zinc/12/84/41/213128441.db2.gz UIAXPHZDYAVMIX-UHFFFAOYSA-N 1 0 326.621 4.662 10 0 EJAERO [NH3+]C[C@H](Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000042950908 202504058 /nfs/dbraw/zinc/50/40/58/202504058.db2.gz BAJMTNCUDGQVKN-AWEZNQCLSA-N 1 0 342.689 4.895 10 0 EJAERO C[C@@H]([NH3+])[C@@H](SC1CCCCC1)c1cccc(Br)c1 ZINC000043025107 202506347 /nfs/dbraw/zinc/50/63/47/202506347.db2.gz UZHOXBXQQBYBKV-IAQYHMDHSA-N 1 0 328.319 4.903 10 0 EJAERO Clc1ccccc1C[N@@H+]1CC[C@H](Nc2cccc3cnccc32)C1 ZINC000028642274 201388384 /nfs/dbraw/zinc/38/83/84/201388384.db2.gz VULJUBMONLMHMI-KRWDZBQOSA-N 1 0 337.854 4.575 10 0 EJAERO C[C@@]([NH3+])(Cc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000053756944 202662542 /nfs/dbraw/zinc/66/25/42/202662542.db2.gz LPAHWCSGRFJKJH-CYBMUJFWSA-N 1 0 330.678 4.581 10 0 EJAERO CC[C@H]([NH2+]CCCOCC(C)C)c1ccc(Br)cc1 ZINC000021012242 212198718 /nfs/dbraw/zinc/19/87/18/212198718.db2.gz ILSQCOITWWUESJ-INIZCTEOSA-N 1 0 328.294 4.553 10 0 EJAERO CCCOc1c(C[NH2+]C(C)(C)CC)cc(Br)cc1OC ZINC000020934462 212189212 /nfs/dbraw/zinc/18/92/12/212189212.db2.gz RWVFMIPFMXKAOW-UHFFFAOYSA-N 1 0 344.293 4.525 10 0 EJAERO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874983 212179926 /nfs/dbraw/zinc/17/99/26/212179926.db2.gz MUACRZWBWJSJAC-UHFFFAOYSA-N 1 0 347.886 4.982 10 0 EJAERO [NH3+][C@H](c1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC000019971876 212092750 /nfs/dbraw/zinc/09/27/50/212092750.db2.gz FXCMNCFCSUVXJQ-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO Cc1ccc([C@H]([NH3+])c2cc(C(F)(F)F)ccc2Br)cc1 ZINC000019971838 212092533 /nfs/dbraw/zinc/09/25/33/212092533.db2.gz JVEFZYUXLTYXEZ-AWEZNQCLSA-N 1 0 344.174 4.824 10 0 EJAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1F ZINC000019968861 212091350 /nfs/dbraw/zinc/09/13/50/212091350.db2.gz PENOUQPJVHTXFU-CYBMUJFWSA-N 1 0 348.137 4.655 10 0 EJAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Br ZINC000019968784 212091121 /nfs/dbraw/zinc/09/11/21/212091121.db2.gz HODPBMZMQAMLIA-ZDUSSCGKSA-N 1 0 348.137 4.655 10 0 EJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000019873456 212078971 /nfs/dbraw/zinc/07/89/71/212078971.db2.gz SWRMWDJRHDXITK-QMMMGPOBSA-N 1 0 328.156 4.539 10 0 EJAERO C[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000019778095 212065964 /nfs/dbraw/zinc/06/59/64/212065964.db2.gz BXAQUPXTXPRSTI-UHFFFAOYSA-N 1 0 329.802 4.931 10 0 EJAERO COc1ccc(C[NH+](CC(C)C)CC(C)C)cc1Br ZINC000103982597 204092467 /nfs/dbraw/zinc/09/24/67/204092467.db2.gz UODFOIHZGYBLQQ-UHFFFAOYSA-N 1 0 328.294 4.572 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000042958847 204183591 /nfs/dbraw/zinc/18/35/91/204183591.db2.gz DDIKQLABMXGKCJ-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000043017336 204195126 /nfs/dbraw/zinc/19/51/26/204195126.db2.gz IWCUJWQQSJLBCB-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1cccc(Br)c1 ZINC000043024283 204197043 /nfs/dbraw/zinc/19/70/43/204197043.db2.gz RZNNNHXJVNFRNU-BONVTDFDSA-N 1 0 340.261 4.769 10 0 EJAERO Cc1cccc(S[C@H](c2cccc(Br)c2)[C@H](C)[NH3+])c1 ZINC000043025208 204199703 /nfs/dbraw/zinc/19/97/03/204199703.db2.gz PQDKTCLJBXDQMG-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1ccc(S[C@@H](c2ccccc2Br)[C@@H](C)[NH3+])cc1 ZINC000043095759 213560543 /nfs/dbraw/zinc/56/05/43/213560543.db2.gz RPABXXXHSUUPPL-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO CCCCOCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000013720076 211621185 /nfs/dbraw/zinc/62/11/85/211621185.db2.gz XSDFGLUUPNCECC-UHFFFAOYSA-N 1 0 341.495 4.870 10 0 EJAERO Clc1ccc(Oc2ccccc2NC2CC[NH2+]CC2)c(Cl)c1 ZINC000090485663 217932585 /nfs/dbraw/zinc/93/25/85/217932585.db2.gz ACUYPRYRUPGMSZ-UHFFFAOYSA-N 1 0 337.250 4.950 10 0 EJAERO [NH3+]Cc1cccc(-c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000011851560 211259283 /nfs/dbraw/zinc/25/92/83/211259283.db2.gz CLUHSUCDRLJUJL-UHFFFAOYSA-N 1 0 345.265 4.698 10 0 EJAERO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000010475273 211175585 /nfs/dbraw/zinc/17/55/85/211175585.db2.gz BRTWCVAHTQDCSM-UHFFFAOYSA-N 1 0 328.843 4.552 10 0 EJAERO CC[NH+](CC)CCCCOc1ccc(Br)c(C)c1C ZINC000005794542 210539385 /nfs/dbraw/zinc/53/93/85/210539385.db2.gz AESQPPFGFCEJNU-UHFFFAOYSA-N 1 0 328.294 4.567 10 0 EJAERO COc1ccc(Br)cc1C[NH2+]CCC1CCC(C)CC1 ZINC000070547600 563919913 /nfs/dbraw/zinc/91/99/13/563919913.db2.gz QCVUVNWDXWEZCL-UHFFFAOYSA-N 1 0 340.305 4.764 10 0 EJAERO CC1CCC(CC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000394855295 568417166 /nfs/dbraw/zinc/41/71/66/568417166.db2.gz WHKNQIFLNDEVGM-UHFFFAOYSA-N 1 0 328.269 4.894 10 0 EJAERO COc1ccc2c(c1)N(CCC[NH+](C)C)c1cc(Cl)ccc1S2 ZINC000001841052 560184897 /nfs/dbraw/zinc/18/48/97/560184897.db2.gz PHFGHPHFFRTZMF-UHFFFAOYSA-N 1 0 348.899 4.903 10 0 in-vitro EJAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000013720178 563716037 /nfs/dbraw/zinc/71/60/37/563716037.db2.gz SJSKZLDLXKRJSA-UHFFFAOYSA-N 1 0 334.287 4.689 10 0 EJAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1cccc(C)c1 ZINC000013724340 563717986 /nfs/dbraw/zinc/71/79/86/563717986.db2.gz RITDPWFRYRPWDM-UHFFFAOYSA-N 1 0 327.468 4.718 10 0 EJAERO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000013724668 563718045 /nfs/dbraw/zinc/71/80/45/563718045.db2.gz KIVAOEQKIQEIQU-UHFFFAOYSA-N 1 0 331.431 4.692 10 0 EJAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OC ZINC000013726037 563718456 /nfs/dbraw/zinc/71/84/56/563718456.db2.gz VLGIQBIVNATIFT-HNNXBMFYSA-N 1 0 347.886 4.858 10 0 EJAERO CC1CCC(CC[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000070538526 563919731 /nfs/dbraw/zinc/91/97/31/563919731.db2.gz ILWVUOKYJQKMEI-UHFFFAOYSA-N 1 0 328.269 4.894 10 0 EJAERO CCC[C@@]1([NH+]2CCC(C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265677 563986872 /nfs/dbraw/zinc/98/68/72/563986872.db2.gz TZXURWWBYAVMFV-HXUWFJFHSA-N 1 0 338.536 4.678 10 0 EJAERO CCC[C@@]1([N@H+](CC)CC(C)C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265665 563986877 /nfs/dbraw/zinc/98/68/77/563986877.db2.gz SEGAOAYVMGRKKK-HXUWFJFHSA-N 1 0 340.552 4.924 10 0 EJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000051631060 214098811 /nfs/dbraw/zinc/09/88/11/214098811.db2.gz PXTVLXDZGDBRTQ-RISCZKNCSA-N 1 0 336.298 4.719 10 0 EJAERO CCC[NH2+][C@@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052900763 214153676 /nfs/dbraw/zinc/15/36/76/214153676.db2.gz MSBAAMLRVCTUIY-OAHLLOKOSA-N 1 0 338.314 4.664 10 0 EJAERO [NH3+][C@H](Cc1sccc1Br)c1ccc2ccccc2c1 ZINC000054440615 214238433 /nfs/dbraw/zinc/23/84/33/214238433.db2.gz LVYVNWHMBQVDTI-OAHLLOKOSA-N 1 0 332.266 4.906 10 0 EJAERO [NH3+][C@@H](Cc1sccc1Br)c1ccc2ccccc2c1 ZINC000054440619 214238925 /nfs/dbraw/zinc/23/89/25/214238925.db2.gz LVYVNWHMBQVDTI-HNNXBMFYSA-N 1 0 332.266 4.906 10 0 EJAERO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055088897 214271109 /nfs/dbraw/zinc/27/11/09/214271109.db2.gz LONURNGZHZLPGW-ZDUSSCGKSA-N 1 0 344.455 4.529 10 0 EJAERO Cc1ccccc1[C@H](Sc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000055307197 214303955 /nfs/dbraw/zinc/30/39/55/214303955.db2.gz MSKQZWUKLFDNPB-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO Cc1ccccc1[C@H](Sc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000055307206 214304574 /nfs/dbraw/zinc/30/45/74/214304574.db2.gz MSKQZWUKLFDNPB-BLLLJJGKSA-N 1 0 336.298 4.938 10 0 EJAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1cccc(Br)c1 ZINC000055308057 214304590 /nfs/dbraw/zinc/30/45/90/214304590.db2.gz VBLMDYTUHMEQPO-SECBINFHSA-N 1 0 326.234 4.759 10 0 EJAERO C[C@@H](C[NH2+]Cc1cccs1)Sc1cccc(Br)c1 ZINC000055309882 214305032 /nfs/dbraw/zinc/30/50/32/214305032.db2.gz OUSJIALWKAVPCM-NSHDSACASA-N 1 0 342.327 4.781 10 0 EJAERO CC[NH2+][C@H](Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000049598949 214020888 /nfs/dbraw/zinc/02/08/88/214020888.db2.gz UUWKWTHGCVVIBY-CYBMUJFWSA-N 1 0 328.250 4.543 10 0 EJAERO c1cc(-c2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)co1 ZINC000065407865 214898691 /nfs/dbraw/zinc/89/86/91/214898691.db2.gz SYVKSOHZPNXHSW-UHFFFAOYSA-N 1 0 335.451 4.686 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958513 213546393 /nfs/dbraw/zinc/54/63/93/213546393.db2.gz WOFIXOVVGQLKSL-CABCVRRESA-N 1 0 340.286 4.506 10 0 EJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(Br)cc2F)o1 ZINC000103933207 219330551 /nfs/dbraw/zinc/33/05/51/219330551.db2.gz QPGDQPHYPCLHDL-CYBMUJFWSA-N 1 0 326.209 4.909 10 0 EJAERO C[C@@]([NH3+])(Cc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000103936276 219330337 /nfs/dbraw/zinc/33/03/37/219330337.db2.gz SCLYSHDYRVXJMA-OAHLLOKOSA-N 1 0 342.639 4.658 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000103987484 219335918 /nfs/dbraw/zinc/33/59/18/219335918.db2.gz GIGBRIZJPUZPFT-SWLSCSKDSA-N 1 0 326.278 4.516 10 0 EJAERO C[C@H]1CCC[C@@H]([NH2+]CCSc2cccc(Br)c2)C1 ZINC000104001443 219336911 /nfs/dbraw/zinc/33/69/11/219336911.db2.gz MKRYAPGTLNZQAI-GXTWGEPZSA-N 1 0 328.319 4.710 10 0 EJAERO CC(C)C[NH2+]C[C@@H](Cc1ccc(F)c(Br)c1)C(C)C ZINC000104000787 219337006 /nfs/dbraw/zinc/33/70/06/219337006.db2.gz LSFUNPIXOKYICL-CQSZACIVSA-N 1 0 330.285 4.649 10 0 EJAERO CCC[NH2+]C[C@H](Cc1ccc(F)c(Br)c1)CC(C)C ZINC000103999250 219337345 /nfs/dbraw/zinc/33/73/45/219337345.db2.gz YVJZELLDJFFCSC-AWEZNQCLSA-N 1 0 330.285 4.793 10 0 EJAERO CCC[C@](C)(C[NH2+]C1CC1)Cc1ccc(F)c(Br)c1 ZINC000104002351 219337486 /nfs/dbraw/zinc/33/74/86/219337486.db2.gz XPLAATMANFWQFH-INIZCTEOSA-N 1 0 328.269 4.689 10 0 EJAERO CCCCC[NH2+]C[C@H](C)Oc1ccc(Br)cc1Cl ZINC000103995325 219337525 /nfs/dbraw/zinc/33/75/25/219337525.db2.gz IWRBCISNDKBWAZ-NSHDSACASA-N 1 0 334.685 4.650 10 0 EJAERO CC[C@H](CCOc1cccc(Br)c1)C[NH2+]C(C)(C)C ZINC000104006059 219338113 /nfs/dbraw/zinc/33/81/13/219338113.db2.gz XWFFPNXLRQLCST-CYBMUJFWSA-N 1 0 328.294 4.632 10 0 EJAERO CCC(C)(C)[NH2+]C[C@H](C)Oc1c(C)cc(Br)cc1Cl ZINC000104011262 219338856 /nfs/dbraw/zinc/33/88/56/219338856.db2.gz QFQFQJNSFVEILA-NSHDSACASA-N 1 0 348.712 4.956 10 0 EJAERO CC[C@@](C)(C[NH2+]CC(C)C)Cc1ccc(Br)cc1F ZINC000104018196 219338888 /nfs/dbraw/zinc/33/88/88/219338888.db2.gz BUFRZTIXYYZYTQ-MRXNPFEDSA-N 1 0 330.285 4.793 10 0 EJAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)[C@H](C)CC ZINC000103980434 219335044 /nfs/dbraw/zinc/33/50/44/219335044.db2.gz UXYNFWMYPYBQKL-CHWSQXEVSA-N 1 0 328.294 4.762 10 0 EJAERO CCC[C@H](CC)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000103976662 219335529 /nfs/dbraw/zinc/33/55/29/219335529.db2.gz CLHXBBCITYSLNG-DZGCQCFKSA-N 1 0 326.278 4.831 10 0 EJAERO CCC[NH2+][C@H](CCC)CCc1ccc(OC)c(Br)c1 ZINC000104158892 219354403 /nfs/dbraw/zinc/35/44/03/219354403.db2.gz VNRHMYOZTDQEND-CQSZACIVSA-N 1 0 328.294 4.559 10 0 EJAERO CC[C@@H]1CCCC[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104179880 219355653 /nfs/dbraw/zinc/35/56/53/219355653.db2.gz IWZWELGCMVMJCX-JMSVASOKSA-N 1 0 326.278 4.816 10 0 EJAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(F)ccc1Br ZINC000104175738 219355788 /nfs/dbraw/zinc/35/57/88/219355788.db2.gz JFEVQFWUFUCMDJ-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO CC[C@@H]1CCCC[C@H]1Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104179887 219355823 /nfs/dbraw/zinc/35/58/23/219355823.db2.gz IWZWELGCMVMJCX-LALPHHSUSA-N 1 0 326.278 4.816 10 0 EJAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(Br)ccc1F ZINC000104175719 219356010 /nfs/dbraw/zinc/35/60/10/219356010.db2.gz BCUQMVAURDWJDI-HNNXBMFYSA-N 1 0 342.639 4.745 10 0 EJAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(Br)cc1C ZINC000104174544 219356121 /nfs/dbraw/zinc/35/61/21/219356121.db2.gz CRKUVHNWBALJBY-INIZCTEOSA-N 1 0 338.676 4.914 10 0 EJAERO CCC[NH2+][C@@H](c1cc(C)oc1C)c1sccc1Br ZINC000104294035 219371702 /nfs/dbraw/zinc/37/17/02/219371702.db2.gz NMMYKMUEXWHKGY-ZDUSSCGKSA-N 1 0 328.275 4.809 10 0 EJAERO Cc1ccc(Sc2cc(Br)ccc2C[C@@H](C)[NH3+])cc1 ZINC000104292336 219371064 /nfs/dbraw/zinc/37/10/64/219371064.db2.gz XPQMFQDZYNAMQO-GFCCVEGCSA-N 1 0 336.298 4.798 10 0 EJAERO C[N@H+]1Cc2sc(Cl)cc2[C@@H](c2ccc(Br)cc2)C1 ZINC000038157573 213204358 /nfs/dbraw/zinc/20/43/58/213204358.db2.gz GBOOWQOKZGRVLO-GFCCVEGCSA-N 1 0 342.689 4.741 10 0 EJAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020928925 202058523 /nfs/dbraw/zinc/05/85/23/202058523.db2.gz WUYAPALGQXTKPD-UHFFFAOYSA-N 1 0 342.870 4.942 10 0 EJAERO COc1ccc([C@H]([NH3+])CCC2CCCCC2)c(Br)c1 ZINC000037444991 213148378 /nfs/dbraw/zinc/14/83/78/213148378.db2.gz HLUIAUZYDJPWJI-MRXNPFEDSA-N 1 0 326.278 4.818 10 0 EJAERO Cc1cc([C@H]([NH3+])c2cc(Br)ccc2Cl)c(C)s1 ZINC000037287872 213138984 /nfs/dbraw/zinc/13/89/84/213138984.db2.gz LCBXOJBNSIJGKT-ZDUSSCGKSA-N 1 0 330.678 4.829 10 0 EJAERO CCOc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000037226006 213136841 /nfs/dbraw/zinc/13/68/41/213136841.db2.gz VEXFDHDLKFXWTH-OAHLLOKOSA-N 1 0 340.648 4.549 10 0 EJAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000036999783 213130184 /nfs/dbraw/zinc/13/01/84/213130184.db2.gz ZLLVYGDZZIYKIN-GFCCVEGCSA-N 1 0 338.676 4.823 10 0 EJAERO COc1ccc([C@@H]([NH3+])C[C@@H](C)CC(C)(C)C)cc1Br ZINC000036889610 213126275 /nfs/dbraw/zinc/12/62/75/213126275.db2.gz HNHCFSGZRXHCTD-RISCZKNCSA-N 1 0 328.294 4.920 10 0 EJAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2Br)C1 ZINC000035722117 213047658 /nfs/dbraw/zinc/04/76/58/213047658.db2.gz VLLIKSHLPFNGFG-TYNCELHUSA-N 1 0 328.319 4.695 10 0 EJAERO CCC[NH2+][C@@H](c1cc(Br)ccc1OCC)C1CCC1 ZINC000035586879 213039887 /nfs/dbraw/zinc/03/98/87/213039887.db2.gz JGEFTOHCIAKTOK-MRXNPFEDSA-N 1 0 326.278 4.689 10 0 EJAERO CC[NH2+][C@@H](c1ccsc1)c1cc(Br)ccc1OCC ZINC000035571107 213039405 /nfs/dbraw/zinc/03/94/05/213039405.db2.gz NTEPCONZPGTGJH-HNNXBMFYSA-N 1 0 340.286 4.608 10 0 EJAERO CCC[NH2+][C@@H](c1cccs1)c1cc(F)cc(Br)c1 ZINC000035581104 213038799 /nfs/dbraw/zinc/03/87/99/213038799.db2.gz MHVZSCNJHZUSSJ-CQSZACIVSA-N 1 0 328.250 4.739 10 0 EJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)cc1Br ZINC000035497842 213032938 /nfs/dbraw/zinc/03/29/38/213032938.db2.gz XKXCFBBZGBTEOX-CQSZACIVSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501446 213032253 /nfs/dbraw/zinc/03/22/53/213032253.db2.gz VJOIBGQCOXPCKH-LBPRGKRZSA-N 1 0 335.028 4.658 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)ccc1Br ZINC000035498433 213032374 /nfs/dbraw/zinc/03/23/74/213032374.db2.gz RMNSAFJLWYBDMS-LBPRGKRZSA-N 1 0 334.641 4.612 10 0 EJAERO CCC(CC)[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458598 213030228 /nfs/dbraw/zinc/03/02/28/213030228.db2.gz ZPYHHXFIMAZYFC-ZDUSSCGKSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)C1CCCCC1 ZINC000035458385 213030188 /nfs/dbraw/zinc/03/01/88/213030188.db2.gz RFBUFZARCQPMSO-CQSZACIVSA-N 1 0 346.696 4.952 10 0 EJAERO COc1ccc([C@@H](C)[NH2+]CC2CCCCC2)cc1Br ZINC000035044174 213005659 /nfs/dbraw/zinc/00/56/59/213005659.db2.gz HFOMOGWLTZFNBX-GFCCVEGCSA-N 1 0 326.278 4.689 10 0 EJAERO Cc1ccc2nc(-c3ccccc3)cc(C(=O)CC3CC[NH2+]CC3)c2c1 ZINC000033877471 212967030 /nfs/dbraw/zinc/96/70/30/212967030.db2.gz YMGAGSTYUIHUTH-UHFFFAOYSA-N 1 0 344.458 4.783 10 0 EJAERO CCC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)C1CC1 ZINC000035572988 213039227 /nfs/dbraw/zinc/03/92/27/213039227.db2.gz JKLITSHPRXRBIX-CYBMUJFWSA-N 1 0 332.669 4.562 10 0 EJAERO [NH3+][C@@H](c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000035382392 202300635 /nfs/dbraw/zinc/30/06/35/202300635.db2.gz AVGQNFGPNGXMFO-LLVKDONJSA-N 1 0 337.069 4.866 10 0 EJAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(F)ccc1Br ZINC000035510359 202305392 /nfs/dbraw/zinc/30/53/92/202305392.db2.gz BZFLCCLQUYZCKU-AWEZNQCLSA-N 1 0 328.250 4.657 10 0 EJAERO [NH3+][C@@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000036961806 202334989 /nfs/dbraw/zinc/33/49/89/202334989.db2.gz VXTPOGMAONGGIW-ZDUSSCGKSA-N 1 0 331.040 4.804 10 0 EJAERO CC(C)[C@@H]([NH3+])c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753086 202331180 /nfs/dbraw/zinc/33/11/80/202331180.db2.gz LQSSUAXLAOCEBU-CQSZACIVSA-N 1 0 328.250 4.973 10 0 EJAERO Clc1ccc(C[N@@H+]2CC[C@@H](Nc3cccc4cnccc43)C2)cc1 ZINC000028642441 201387926 /nfs/dbraw/zinc/38/79/26/201387926.db2.gz UGWBCYQPCXKMGF-GOSISDBHSA-N 1 0 337.854 4.575 10 0 EJAERO CCCCCC[NH2+]Cc1cc(Br)ccc1OCCC ZINC000020929272 212190572 /nfs/dbraw/zinc/19/05/72/212190572.db2.gz RWDABNKDSZHXFF-UHFFFAOYSA-N 1 0 328.294 4.908 10 0 EJAERO CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000020931306 212190414 /nfs/dbraw/zinc/19/04/14/212190414.db2.gz RRHQAWLQHDBCBO-QGZVFWFLSA-N 1 0 327.468 4.595 10 0 EJAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCOC(C)C ZINC000020930395 212189330 /nfs/dbraw/zinc/18/93/30/212189330.db2.gz CDCYILRHRJLWOU-UHFFFAOYSA-N 1 0 334.287 4.687 10 0 EJAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(OC)cc1 ZINC000020930681 212189172 /nfs/dbraw/zinc/18/91/72/212189172.db2.gz QCUSTSZLHMYPKQ-UHFFFAOYSA-N 1 0 349.474 4.970 10 0 EJAERO CCCOc1ccc(C[NH2+]Cc2ccccc2)cc1Br ZINC000020925782 212188122 /nfs/dbraw/zinc/18/81/22/212188122.db2.gz KXHGKQCQLNYLKP-UHFFFAOYSA-N 1 0 334.257 4.528 10 0 EJAERO Cc1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000020876638 212181932 /nfs/dbraw/zinc/18/19/32/212181932.db2.gz IOZJLHZYTJDYJF-LJQANCHMSA-N 1 0 341.838 4.732 10 0 EJAERO CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876211 212181572 /nfs/dbraw/zinc/18/15/72/212181572.db2.gz UGWJTRUSIXCCRX-UHFFFAOYSA-N 1 0 337.822 4.566 10 0 EJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccc(F)cc1Br ZINC000020596394 212149884 /nfs/dbraw/zinc/14/98/84/212149884.db2.gz PHARJSHDEGPVBC-OAHLLOKOSA-N 1 0 336.229 4.851 10 0 EJAERO CCCC[N@H+](CCOc1cccc(Br)c1)[C@H](C)CC ZINC000070139084 203074341 /nfs/dbraw/zinc/07/43/41/203074341.db2.gz PEKUBTDMZHLZBB-CQSZACIVSA-N 1 0 328.294 4.729 10 0 EJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(Br)cc1F ZINC000020474030 212135914 /nfs/dbraw/zinc/13/59/14/212135914.db2.gz GBRHXYIHIRWILH-MRVPVSSYSA-N 1 0 328.156 4.539 10 0 EJAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000019968779 212091840 /nfs/dbraw/zinc/09/18/40/212091840.db2.gz ZKATZICIIKDNAI-CYBMUJFWSA-N 1 0 330.147 4.516 10 0 EJAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000019968778 212091396 /nfs/dbraw/zinc/09/13/96/212091396.db2.gz ZKATZICIIKDNAI-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO Brc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)s1 ZINC000019885985 212079607 /nfs/dbraw/zinc/07/96/07/212079607.db2.gz IEDXEJPASCHMKZ-UHFFFAOYSA-N 1 0 326.303 4.569 10 0 in-vitro EJAERO Cc1ccccc1[C@@H](Sc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000043041522 204210560 /nfs/dbraw/zinc/21/05/60/204210560.db2.gz MOPLPNFXHMXLDD-LRDDRELGSA-N 1 0 336.298 4.938 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000042958844 204183749 /nfs/dbraw/zinc/18/37/49/204183749.db2.gz DDIKQLABMXGKCJ-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1ccc(Br)cc1 ZINC000042956256 204184154 /nfs/dbraw/zinc/18/41/54/204184154.db2.gz WTLBVBLPPZGDPT-CVEARBPZSA-N 1 0 326.278 4.577 10 0 EJAERO CC[C@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1ccc(Br)cc1 ZINC000042957518 204184239 /nfs/dbraw/zinc/18/42/39/204184239.db2.gz WXZSMGDFPVNDJD-RCBQFDQVSA-N 1 0 328.294 4.679 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(Br)cc1)c1cccc(F)c1 ZINC000042974658 204192220 /nfs/dbraw/zinc/19/22/20/204192220.db2.gz IRVYLKCHMSLYOE-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1Br)c1cccc(F)c1 ZINC000042974646 204192225 /nfs/dbraw/zinc/19/22/25/204192225.db2.gz MHPHYSPISQFKKY-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1cccc(Br)c1 ZINC000043023959 213553556 /nfs/dbraw/zinc/55/35/56/213553556.db2.gz CURSEZKNBGTHFV-BLLLJJGKSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1Br ZINC000043094244 213559284 /nfs/dbraw/zinc/55/92/84/213559284.db2.gz COFBMPZPBSBKEH-ZUZCIYMTSA-N 1 0 340.648 4.570 10 0 EJAERO Fc1ccc(C[n+]2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000226307724 205126445 /nfs/dbraw/zinc/12/64/45/205126445.db2.gz DYANVMPBSDQSEF-UHFFFAOYSA-N 1 0 339.777 4.623 10 0 EJAERO Cc1ccc(OC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000146540807 223721977 /nfs/dbraw/zinc/72/19/77/223721977.db2.gz CVFDKMFZQCPMHW-UHFFFAOYSA-N 1 0 334.463 4.562 10 0 EJAERO CCOc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1Cl ZINC000013729845 211623759 /nfs/dbraw/zinc/62/37/59/211623759.db2.gz RFMPKALUMBEGBM-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO CCC[NH2+]C[C@](C)(CCC)Cc1cc(Br)ccc1F ZINC000103996419 206481015 /nfs/dbraw/zinc/48/10/15/206481015.db2.gz OBJIKKKAUCMQLG-MRXNPFEDSA-N 1 0 330.285 4.937 10 0 EJAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(Cl)cc1)[C@@H]2[NH3+] ZINC000011849235 211257624 /nfs/dbraw/zinc/25/76/24/211257624.db2.gz XACODARZZRMBPK-ZWKOTPCHSA-N 1 0 331.843 4.693 10 0 EJAERO CSCCC[NH2+][C@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000011774565 211246676 /nfs/dbraw/zinc/24/66/76/211246676.db2.gz MLISUWIEUVLYFL-OAHLLOKOSA-N 1 0 339.508 4.738 10 0 EJAERO Clc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1 ZINC000010475372 211175259 /nfs/dbraw/zinc/17/52/59/211175259.db2.gz ATYWIORAUGIFHU-UHFFFAOYSA-N 1 0 327.811 4.802 10 0 EJAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C(C)C)cc1 ZINC000010436347 211172776 /nfs/dbraw/zinc/17/27/76/211172776.db2.gz VGHIEWHUUXKNGK-UHFFFAOYSA-N 1 0 348.284 4.835 10 0 EJAERO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000242688032 258000518 /nfs/dbraw/zinc/00/05/18/258000518.db2.gz VDIUQSCGOUHYCD-IEBWSBKVSA-N 1 0 346.515 4.544 10 0 EJAERO CCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010473995 563648101 /nfs/dbraw/zinc/64/81/01/563648101.db2.gz HYIFWEODXHNINI-UHFFFAOYSA-N 1 0 333.859 4.817 10 0 EJAERO CCCCOCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013719693 563716105 /nfs/dbraw/zinc/71/61/05/563716105.db2.gz GSNMRMHTKYLJKR-UHFFFAOYSA-N 1 0 345.458 4.701 10 0 EJAERO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000013720734 563716351 /nfs/dbraw/zinc/71/63/51/563716351.db2.gz ICPFREIOJDIJNT-UHFFFAOYSA-N 1 0 347.458 4.872 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013721574 563716752 /nfs/dbraw/zinc/71/67/52/563716752.db2.gz DVLFRABJSAAFIH-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013721565 563716870 /nfs/dbraw/zinc/71/68/70/563716870.db2.gz JRKJGFJRALNKQW-UHFFFAOYSA-N 1 0 347.886 4.824 10 0 EJAERO CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1Br ZINC000013724019 563717625 /nfs/dbraw/zinc/71/76/25/563717625.db2.gz OSMYDBLUMDJJTR-UHFFFAOYSA-N 1 0 338.289 4.828 10 0 EJAERO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(C)cc1 ZINC000013724446 563717980 /nfs/dbraw/zinc/71/79/80/563717980.db2.gz YNNFVGONCXOUNW-UHFFFAOYSA-N 1 0 327.468 4.718 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000013724931 563718491 /nfs/dbraw/zinc/71/84/91/563718491.db2.gz BCQLZCPHYJMUDD-UHFFFAOYSA-N 1 0 348.874 4.601 10 0 EJAERO CCOc1cccc(C[NH2+]C(C)C)c1OCc1ccc(Cl)cc1 ZINC000013730264 564020665 /nfs/dbraw/zinc/02/06/65/564020665.db2.gz WBZYXUGXEUJELP-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO Cc1nc(-c2ccc(Br)cc2)sc1C[NH2+]C(C)(C)C ZINC000052331079 214125749 /nfs/dbraw/zinc/12/57/49/214125749.db2.gz APAKJDFTOODXPO-UHFFFAOYSA-N 1 0 339.302 4.769 10 0 EJAERO C[C@@]([NH3+])(Cc1ccc(Br)s1)c1ccccc1Cl ZINC000053756581 214196691 /nfs/dbraw/zinc/19/66/91/214196691.db2.gz XRHVEUAEZVTRNM-CYBMUJFWSA-N 1 0 330.678 4.581 10 0 EJAERO [NH3+]C[C@@H](Sc1cccc(Cl)c1)c1ccccc1Br ZINC000054185392 214223660 /nfs/dbraw/zinc/22/36/60/214223660.db2.gz AGNQOMCBUUJATB-CQSZACIVSA-N 1 0 342.689 4.895 10 0 EJAERO CCOc1cc2[nH+]ccc(Nc3ccc(F)cc3)c2cc1OCC ZINC000054202415 214224486 /nfs/dbraw/zinc/22/44/86/214224486.db2.gz JREMVMCFSAVIMB-UHFFFAOYSA-N 1 0 326.371 4.915 10 0 EJAERO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055088894 214270309 /nfs/dbraw/zinc/27/03/09/214270309.db2.gz LONURNGZHZLPGW-CYBMUJFWSA-N 1 0 344.455 4.529 10 0 EJAERO CCC[N@H+](Cc1ccc(SC)cc1)Cc1ccnc(C(C)C)n1 ZINC000055211486 214289417 /nfs/dbraw/zinc/28/94/17/214289417.db2.gz LDFVWGNPKKOFRH-UHFFFAOYSA-N 1 0 329.513 4.734 10 0 EJAERO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC000055226846 214292695 /nfs/dbraw/zinc/29/26/95/214292695.db2.gz CUVBQSBUVXQTOR-ZDUSSCGKSA-N 1 0 330.147 4.516 10 0 EJAERO Cc1ccc([C@@H](Sc2cccc(Br)c2)[C@H](C)[NH3+])o1 ZINC000055307295 214303887 /nfs/dbraw/zinc/30/38/87/214303887.db2.gz UNUFRNPPSNVLSI-HZMBPMFUSA-N 1 0 326.259 4.531 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000013724908 201912056 /nfs/dbraw/zinc/91/20/56/201912056.db2.gz ILTBFNQFYUASFI-UHFFFAOYSA-N 1 0 327.468 4.861 10 0 EJAERO C[C@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1cccc(Br)c1 ZINC000043024346 213554111 /nfs/dbraw/zinc/55/41/11/213554111.db2.gz HGYWNUKRIZNZDX-ZUZCIYMTSA-N 1 0 340.261 4.769 10 0 EJAERO C[C@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000043017328 213550917 /nfs/dbraw/zinc/55/09/17/213550917.db2.gz IWCUJWQQSJLBCB-BONVTDFDSA-N 1 0 340.648 4.570 10 0 EJAERO Cc1cccc(S[C@@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])c1 ZINC000042959787 213546225 /nfs/dbraw/zinc/54/62/25/213546225.db2.gz LDHGAUVVKOMRSJ-MLGOLLRUSA-N 1 0 336.298 4.938 10 0 EJAERO CCC[NH2+][C@@H](Cc1ccc(F)c(Br)c1)c1ccsc1 ZINC000103932371 219330440 /nfs/dbraw/zinc/33/04/40/219330440.db2.gz XOORRYLQQJKHLX-HNNXBMFYSA-N 1 0 342.277 4.933 10 0 EJAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1Cc1cc(Br)cs1 ZINC000103934766 219330507 /nfs/dbraw/zinc/33/05/07/219330507.db2.gz YYERIYZXMVTWEI-WBMJQRKESA-N 1 0 336.298 4.706 10 0 EJAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(Cc2ccc(Br)cc2F)C1 ZINC000103949557 219331835 /nfs/dbraw/zinc/33/18/35/219331835.db2.gz LMBVXODNFQAIID-ZBEGNZNMSA-N 1 0 328.269 4.674 10 0 EJAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1cc(Br)cs1 ZINC000103950900 219331876 /nfs/dbraw/zinc/33/18/76/219331876.db2.gz QOEJILZPHLBKDO-YWPYICTPSA-N 1 0 330.335 4.858 10 0 EJAERO [NH3+]Cc1ccc(Cl)cc1Sc1ccccc1Br ZINC000103933483 219329995 /nfs/dbraw/zinc/32/99/95/219329995.db2.gz ODYZBKLIVBLOSN-UHFFFAOYSA-N 1 0 328.662 4.712 10 0 EJAERO CCC[NH2+]C[C@H](Cc1cc(Br)ccc1F)CC(C)C ZINC000104000765 219336883 /nfs/dbraw/zinc/33/68/83/219336883.db2.gz UNIPVEPRUMYVGJ-ZDUSSCGKSA-N 1 0 330.285 4.793 10 0 EJAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Br)s1 ZINC000103999655 219336908 /nfs/dbraw/zinc/33/69/08/219336908.db2.gz XHTCHNZDBTTXMO-ZDUSSCGKSA-N 1 0 342.277 4.933 10 0 EJAERO C[C@@H]1CCC[C@H]([NH2+]CCSc2cccc(Br)c2)C1 ZINC000104001435 219337530 /nfs/dbraw/zinc/33/75/30/219337530.db2.gz MKRYAPGTLNZQAI-OCCSQVGLSA-N 1 0 328.319 4.710 10 0 EJAERO CC(C)C[NH2+]CCC[C@H](C)Oc1ccc(Cl)cc1Br ZINC000104005973 219337780 /nfs/dbraw/zinc/33/77/80/219337780.db2.gz GPUWJROHNMFRAH-LBPRGKRZSA-N 1 0 348.712 4.896 10 0 EJAERO CC(C)C[NH2+]Cc1cccc(Br)c1OC1CCCC1 ZINC000103980044 219335156 /nfs/dbraw/zinc/33/51/56/219335156.db2.gz NZBFYCAZJKHWHH-UHFFFAOYSA-N 1 0 326.278 4.516 10 0 EJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000104172151 219354513 /nfs/dbraw/zinc/35/45/13/219354513.db2.gz RWHNVPFRRCXUHN-MRXNPFEDSA-N 1 0 338.676 4.914 10 0 EJAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cc(Br)ccc1Cl ZINC000104172172 219354546 /nfs/dbraw/zinc/35/45/46/219354546.db2.gz DTZSMHYHHFDELA-INIZCTEOSA-N 1 0 338.676 4.914 10 0 EJAERO C[NH2+][C@H](C)c1ccc(O[C@@H]2CCC[C@@H](C)C2)c(Br)c1 ZINC000104172398 219354905 /nfs/dbraw/zinc/35/49/05/219354905.db2.gz HOHGKAAXCJYZTO-YRGRVCCFSA-N 1 0 326.278 4.687 10 0 EJAERO CC[C@@H](C)N(C)c1cc(Br)ccc1C[NH2+]C(C)(C)C ZINC000104165711 219354969 /nfs/dbraw/zinc/35/49/69/219354969.db2.gz IZJGCXYHUDSXSN-GFCCVEGCSA-N 1 0 327.310 4.572 10 0 EJAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl ZINC000104174578 219355596 /nfs/dbraw/zinc/35/55/96/219355596.db2.gz IESZKCQJPLPFPH-AWEZNQCLSA-N 1 0 345.067 4.998 10 0 EJAERO Cc1ccc(C[C@H]([NH3+])c2cc(Br)ccc2Cl)cc1C ZINC000104179721 219355599 /nfs/dbraw/zinc/35/55/99/219355599.db2.gz XPDDYULYZUNYND-INIZCTEOSA-N 1 0 338.676 4.962 10 0 EJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000104175791 219356155 /nfs/dbraw/zinc/35/61/55/219356155.db2.gz VXORGMNITFQEPQ-OAHLLOKOSA-N 1 0 342.639 4.745 10 0 EJAERO C[C@H]([NH3+])Cc1ccc(Br)cc1Oc1ccccc1Cl ZINC000104285544 219369647 /nfs/dbraw/zinc/36/96/47/219369647.db2.gz LIONEJOHPAPWRE-JTQLQIEISA-N 1 0 340.648 4.785 10 0 EJAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1sccc1Br ZINC000104290376 219370195 /nfs/dbraw/zinc/37/01/95/219370195.db2.gz JLHDYAIGXQRFQV-LLVKDONJSA-N 1 0 334.641 4.546 10 0 EJAERO Brc1ccc(C[NH2+]C2CC2)c(Sc2cccs2)c1 ZINC000104289631 219370383 /nfs/dbraw/zinc/37/03/83/219370383.db2.gz OFZJLTHTQAMGMC-UHFFFAOYSA-N 1 0 340.311 4.914 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1ccccc1Cl ZINC000040451635 213305716 /nfs/dbraw/zinc/30/57/16/213305716.db2.gz BBIHDKDGVXLHFM-CYBMUJFWSA-N 1 0 330.678 4.863 10 0 EJAERO Cc1ccc(-c2nc3cc(Cl)ccc3n2CCC[NH+](C)C)cc1 ZINC000040404252 213299284 /nfs/dbraw/zinc/29/92/84/213299284.db2.gz QIPVSNSMFRMYLL-UHFFFAOYSA-N 1 0 327.859 4.617 10 0 EJAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040405590 213298910 /nfs/dbraw/zinc/29/89/10/213298910.db2.gz MXINMUYTLPPBNF-UHFFFAOYSA-N 1 0 327.859 4.699 10 0 EJAERO C#[N+][C@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000038534301 213213046 /nfs/dbraw/zinc/21/30/46/213213046.db2.gz CZOFHWKBXSJXBA-HNNXBMFYSA-N 1 0 341.239 4.737 10 0 EJAERO COc1ccc(C[NH2+]Cc2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000020874523 202057346 /nfs/dbraw/zinc/05/73/46/202057346.db2.gz XHEZHPCQIBSVLQ-UHFFFAOYSA-N 1 0 347.458 4.872 10 0 EJAERO CCCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000020930927 202057995 /nfs/dbraw/zinc/05/79/95/202057995.db2.gz UTVCHECXRFANDX-UHFFFAOYSA-N 1 0 329.484 4.542 10 0 EJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000027537224 202156105 /nfs/dbraw/zinc/15/61/05/202156105.db2.gz STRWKUKMGYRLPB-NWDGAFQWSA-N 1 0 337.250 4.671 10 0 EJAERO CC[C@@H](C)[N@H+](CC)CCCC(=O)c1ccc(Br)cc1 ZINC000037323245 213140318 /nfs/dbraw/zinc/14/03/18/213140318.db2.gz ODMIWMUCQWJLOS-CYBMUJFWSA-N 1 0 326.278 4.532 10 0 EJAERO CCc1cc(Oc2cc(Br)ccc2C[NH3+])ccc1Cl ZINC000037024465 213130049 /nfs/dbraw/zinc/13/00/49/213130049.db2.gz ODIIMFRMTCQJGE-UHFFFAOYSA-N 1 0 340.648 4.916 10 0 EJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753039 213117404 /nfs/dbraw/zinc/11/74/04/213117404.db2.gz KPLICNFTMOXMRN-GFCCVEGCSA-N 1 0 328.250 4.987 10 0 EJAERO CC(C)[C@H]([NH3+])c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753083 213116919 /nfs/dbraw/zinc/11/69/19/213116919.db2.gz LQSSUAXLAOCEBU-AWEZNQCLSA-N 1 0 328.250 4.973 10 0 EJAERO CCC[NH2+][C@H](c1cccs1)c1cc(Br)ccc1F ZINC000035581180 213038921 /nfs/dbraw/zinc/03/89/21/213038921.db2.gz VXRYNNAUHFZSOC-AWEZNQCLSA-N 1 0 328.250 4.739 10 0 EJAERO CCC[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@H](C)CCC ZINC000035572532 213038795 /nfs/dbraw/zinc/03/87/95/213038795.db2.gz IFZVEYRAZWDCDX-MLGOLLRUSA-N 1 0 328.294 4.935 10 0 EJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1Br ZINC000035553599 213037906 /nfs/dbraw/zinc/03/79/06/213037906.db2.gz VDCLNEZVQDDRCC-ZDUSSCGKSA-N 1 0 330.678 4.863 10 0 EJAERO CC[NH2+][C@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035551999 213037911 /nfs/dbraw/zinc/03/79/11/213037911.db2.gz VMUIEJYUDFRDBE-ZDUSSCGKSA-N 1 0 330.316 4.888 10 0 EJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000035540239 213037860 /nfs/dbraw/zinc/03/78/60/213037860.db2.gz ITBVLQKXDOSAJX-OAHLLOKOSA-N 1 0 342.639 4.941 10 0 EJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cc(Br)ccc1F ZINC000035552211 213037940 /nfs/dbraw/zinc/03/79/40/213037940.db2.gz FFLAZNCIPOKXPM-HNNXBMFYSA-N 1 0 342.277 4.965 10 0 EJAERO CC[NH2+][C@@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035539380 213037344 /nfs/dbraw/zinc/03/73/44/213037344.db2.gz HUJCBXZEZSDUCH-HNNXBMFYSA-N 1 0 342.639 4.941 10 0 EJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cc(F)ccc1Br ZINC000035537889 213036684 /nfs/dbraw/zinc/03/66/84/213036684.db2.gz AWFUCUJAAZYOKU-OAHLLOKOSA-N 1 0 342.277 4.911 10 0 EJAERO CC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)[C@H](C)CC ZINC000035509809 213034015 /nfs/dbraw/zinc/03/40/15/213034015.db2.gz CHEFLDBONNCTNA-RNCFNFMXSA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035498126 213032608 /nfs/dbraw/zinc/03/26/08/213032608.db2.gz CFMVWKNRQAASOP-GFCCVEGCSA-N 1 0 334.641 4.612 10 0 EJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(F)ccc1Br ZINC000035497800 213032472 /nfs/dbraw/zinc/03/24/72/213032472.db2.gz DYSWVENQUCYMMJ-AWEZNQCLSA-N 1 0 328.250 4.575 10 0 EJAERO C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000035462317 213029700 /nfs/dbraw/zinc/02/97/00/213029700.db2.gz PKMITFABPXJOAD-MRXNPFEDSA-N 1 0 336.298 4.698 10 0 EJAERO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000034992839 213003347 /nfs/dbraw/zinc/00/33/47/213003347.db2.gz YXXDKWBBJUOFON-SNVBAGLBSA-N 1 0 326.184 4.578 10 0 EJAERO CCC[C@H](C)[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1OC ZINC000035458195 202304406 /nfs/dbraw/zinc/30/44/06/202304406.db2.gz RAPLVFUKTRSUQR-ZANVPECISA-N 1 0 334.685 4.808 10 0 EJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035498118 202304831 /nfs/dbraw/zinc/30/48/31/202304831.db2.gz UCMKFZAOHSYTEO-LBPRGKRZSA-N 1 0 334.641 4.612 10 0 EJAERO Cc1ccc(Nc2nc(Nc3cc[nH+]cc3)nc3ccccc32)cc1 ZINC000072260461 216085517 /nfs/dbraw/zinc/08/55/17/216085517.db2.gz XNJNSUKGHTXFCJ-UHFFFAOYSA-N 1 0 327.391 4.820 10 0 EJAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037255877 213138079 /nfs/dbraw/zinc/13/80/79/213138079.db2.gz IDRZMOVHXJQNGW-SWLSCSKDSA-N 1 0 326.278 4.687 10 0 EJAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1csc(Br)c1 ZINC000037776095 213166936 /nfs/dbraw/zinc/16/69/36/213166936.db2.gz FENCUTCGURPQHM-VIFPVBQESA-N 1 0 346.240 4.510 10 0 EJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1)c1ccccc1Br ZINC000043094242 204209353 /nfs/dbraw/zinc/20/93/53/204209353.db2.gz COFBMPZPBSBKEH-BMIGLBTASA-N 1 0 340.648 4.570 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1ccccc1Br ZINC000043094234 204209444 /nfs/dbraw/zinc/20/94/44/204209444.db2.gz UXVLOQHOJKOGTH-MEBBXXQBSA-N 1 0 340.648 4.570 10 0 EJAERO CC[C@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1Br ZINC000043096136 204210654 /nfs/dbraw/zinc/21/06/54/204210654.db2.gz LRVQFTBSVSHWRQ-LSDHHAIUSA-N 1 0 340.286 4.754 10 0 EJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000042958841 204183480 /nfs/dbraw/zinc/18/34/80/204183480.db2.gz DDIKQLABMXGKCJ-BMIGLBTASA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@H]([NH3+])[C@@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958510 204183533 /nfs/dbraw/zinc/18/35/33/204183533.db2.gz WOFIXOVVGQLKSL-GJZGRUSLSA-N 1 0 340.286 4.506 10 0 EJAERO CC[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(Br)c1 ZINC000043022295 213552930 /nfs/dbraw/zinc/55/29/30/213552930.db2.gz JMGUIFURIXRPLJ-CVEARBPZSA-N 1 0 326.278 4.577 10 0 EJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1F)c1cccc(Br)c1 ZINC000043024291 213553620 /nfs/dbraw/zinc/55/36/20/213553620.db2.gz RZNNNHXJVNFRNU-MEBBXXQBSA-N 1 0 340.261 4.769 10 0 EJAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1Br ZINC000043095601 213559986 /nfs/dbraw/zinc/55/99/86/213559986.db2.gz FKRFMFCBAJYDDA-HUUCEWRRSA-N 1 0 340.286 4.506 10 0 EJAERO CC(C)CO[C@H](C[NH2+]C(C)(C)C)c1ccc(Br)cc1 ZINC000050491950 204615358 /nfs/dbraw/zinc/61/53/58/204615358.db2.gz RWHRFIDTINMYAK-OAHLLOKOSA-N 1 0 328.294 4.551 10 0 EJAERO Cc1cc2nc(-c3cc[n+](Cc4ccc(F)cc4)cc3)oc2cc1C ZINC000226307525 205126074 /nfs/dbraw/zinc/12/60/74/205126074.db2.gz KZVDBJDTHGLVNJ-UHFFFAOYSA-N 1 0 333.386 4.587 10 0 EJAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)C1CCC(C)CC1 ZINC000103931098 206479337 /nfs/dbraw/zinc/47/93/37/206479337.db2.gz GZYZKKGHJGNZHD-PPUFBPAQSA-N 1 0 328.269 4.545 10 0 EJAERO Cc1c([C@H](C)[NH2+]Cc2ccncc2)cnn1-c1cccc2ccccc21 ZINC000012320617 211346670 /nfs/dbraw/zinc/34/66/70/211346670.db2.gz ZJYKDFFRKIWKOS-INIZCTEOSA-N 1 0 342.446 4.580 10 0 EJAERO COc1cccc(C[NH2+]C(C)C)c1OCc1ccc(F)cc1Cl ZINC000010436391 211173137 /nfs/dbraw/zinc/17/31/37/211173137.db2.gz BAPBJOYLMBXHNW-UHFFFAOYSA-N 1 0 337.822 4.565 10 0 EJAERO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1 ZINC000010435976 211172507 /nfs/dbraw/zinc/17/25/07/211172507.db2.gz FBGQDUYFRSUORY-UHFFFAOYSA-N 1 0 333.859 4.816 10 0 EJAERO COc1cc(Cl)cc(C[NH2+]C2CCCC2)c1OCc1ccccc1 ZINC000010474049 563648008 /nfs/dbraw/zinc/64/80/08/563648008.db2.gz JSEMQXLMNRLVGA-UHFFFAOYSA-N 1 0 345.870 4.960 10 0 EJAERO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000013720054 563716044 /nfs/dbraw/zinc/71/60/44/563716044.db2.gz VRRWMVRMTBAXME-UHFFFAOYSA-N 1 0 341.495 4.870 10 0 EJAERO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013721987 563716764 /nfs/dbraw/zinc/71/67/64/563716764.db2.gz UKFHLLYDBWPQQN-UHFFFAOYSA-N 1 0 325.811 4.644 10 0 EJAERO COc1ccc(-c2ccc(C[NH2+]CCCOC(C)C)o2)cc1Cl ZINC000013721984 563716824 /nfs/dbraw/zinc/71/68/24/563716824.db2.gz JDHBTLLOJJUJMG-UHFFFAOYSA-N 1 0 337.847 4.513 10 0 EJAERO COCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013722249 563716846 /nfs/dbraw/zinc/71/68/46/563716846.db2.gz GWXKBBDQPSOZIR-UHFFFAOYSA-N 1 0 335.447 4.545 10 0 EJAERO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013725040 563718418 /nfs/dbraw/zinc/71/84/18/563718418.db2.gz XEJQFKQFCMAZEM-UHFFFAOYSA-N 1 0 327.468 4.861 10 0 EJAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OCC ZINC000013724873 563718434 /nfs/dbraw/zinc/71/84/34/563718434.db2.gz QAJZMZWSSHOHCK-UHFFFAOYSA-N 1 0 344.293 4.525 10 0 EJAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000013724900 563718447 /nfs/dbraw/zinc/71/84/47/563718447.db2.gz CXQQVRUFWBAQSJ-UHFFFAOYSA-N 1 0 327.468 4.861 10 0 EJAERO CCC[C@]1([N@H+](CC)CC(C)C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265664 563986898 /nfs/dbraw/zinc/98/68/98/563986898.db2.gz SEGAOAYVMGRKKK-FQEVSTJZSA-N 1 0 340.552 4.924 10 0 EJAERO CC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000033463912 564050187 /nfs/dbraw/zinc/05/01/87/564050187.db2.gz PDCUJHCCEWTDDK-UHFFFAOYSA-N 1 0 328.214 4.821 10 0 EJAERO