smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000000000483 526082414 /nfs/dbraw/zinc/08/24/14/526082414.db2.gz AQMNNXSLDLIGII-CQSZACIVSA-N 1 0 344.549 5.209 10 0 in-man EKAERO CSc1ccc2c(c1)N(C[C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000000001615 526081233 /nfs/dbraw/zinc/08/12/33/526081233.db2.gz AQMNNXSLDLIGII-AWEZNQCLSA-N 1 0 344.549 5.209 10 0 in-man EKAERO [NH3+]CCCCc1c2ccccc2[nH]c1-c1ccc(Cl)c(Cl)c1 ZINC000002534035 258012619 /nfs/dbraw/zinc/01/26/19/258012619.db2.gz OZMBTWVOCIODIB-UHFFFAOYSA-N 1 0 333.262 5.423 10 0 EKAERO C[N@@H+]1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000003082424 564004163 /nfs/dbraw/zinc/00/41/63/564004163.db2.gz MQPSFALRBZMFQW-VSGJHWFKSA-N 1 0 343.470 5.082 10 0 EKAERO O=C(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000003600872 210063191 /nfs/dbraw/zinc/06/31/91/210063191.db2.gz CFDMSYBKKMEHJR-GOSISDBHSA-N 1 0 348.273 5.056 10 0 EKAERO O=C(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000003600875 210063887 /nfs/dbraw/zinc/06/38/87/210063887.db2.gz CFDMSYBKKMEHJR-SFHVURJKSA-N 1 0 348.273 5.056 10 0 EKAERO O=C(c1ccccc1Cl)[C@H](C[NH+]1CCCC1)c1ccccc1Cl ZINC000003600877 210063303 /nfs/dbraw/zinc/06/33/03/210063303.db2.gz LVKZKZYZEAYRBR-MRXNPFEDSA-N 1 0 348.273 5.056 10 0 EKAERO O=C(c1ccccc1Cl)[C@@H](C[NH+]1CCCC1)c1ccccc1Cl ZINC000003600880 201360036 /nfs/dbraw/zinc/36/00/36/201360036.db2.gz LVKZKZYZEAYRBR-INIZCTEOSA-N 1 0 348.273 5.056 10 0 EKAERO O=C(c1ccccc1)[C@H](CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000003602163 210063126 /nfs/dbraw/zinc/06/31/26/210063126.db2.gz MDUDECSQHYSVDJ-JOCHJYFZSA-N 1 0 335.491 5.309 10 0 EKAERO O=C(c1ccccc1)[C@@H](CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000003602165 210063324 /nfs/dbraw/zinc/06/33/24/210063324.db2.gz MDUDECSQHYSVDJ-QFIPXVFZSA-N 1 0 335.491 5.309 10 0 EKAERO CC1=CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000003607141 210065308 /nfs/dbraw/zinc/06/53/08/210065308.db2.gz JVSSMGTTWKDJFY-OAQYLSRUSA-N 1 0 337.438 5.182 10 0 EKAERO CC1=CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000003607142 210064672 /nfs/dbraw/zinc/06/46/72/210064672.db2.gz JVSSMGTTWKDJFY-NRFANRHFSA-N 1 0 337.438 5.182 10 0 EKAERO Cc1ccccc1Oc1ccccc1O[C@@H](C)C[NH+]1CCCCC1 ZINC000003610812 210066410 /nfs/dbraw/zinc/06/64/10/210066410.db2.gz XXOBKJANUBJQMC-SFHVURJKSA-N 1 0 325.452 5.041 10 0 EKAERO Cc1ccccc1Oc1ccccc1O[C@H](C)C[NH+]1CCCCC1 ZINC000003610814 201360146 /nfs/dbraw/zinc/36/01/46/201360146.db2.gz XXOBKJANUBJQMC-GOSISDBHSA-N 1 0 325.452 5.041 10 0 EKAERO Cc1ccccc1Oc1ccccc1OCCC[NH+]1CCCCC1 ZINC000003610834 201360347 /nfs/dbraw/zinc/36/03/47/201360347.db2.gz HTKHDRLOJMRODV-UHFFFAOYSA-N 1 0 325.452 5.042 10 0 EKAERO c1ccc(C2=C(C[NH+]3CCCCC3)CCSc3ccccc32)cc1 ZINC000003619739 201360751 /nfs/dbraw/zinc/36/07/51/201360751.db2.gz XPMHIFSUJOBICL-UHFFFAOYSA-N 1 0 335.516 5.470 10 0 EKAERO FC[C@@H]1CCC[N@@H+](C2(c3cc4ccccc4s3)CCCCC2)C1 ZINC000003651127 210072266 /nfs/dbraw/zinc/07/22/66/210072266.db2.gz YFHOQGMMEMFUAQ-INIZCTEOSA-N 1 0 331.500 5.742 10 0 EKAERO FC[C@H]1CCC[N@@H+](C2(c3cc4ccccc4s3)CCCCC2)C1 ZINC000003651131 201360358 /nfs/dbraw/zinc/36/03/58/201360358.db2.gz YFHOQGMMEMFUAQ-MRXNPFEDSA-N 1 0 331.500 5.742 10 0 EKAERO c1ccc(C2=CC[N@H+](C[C@@H]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000003792322 210075376 /nfs/dbraw/zinc/07/53/76/210075376.db2.gz XBGWTWPYCTZIIE-HXUWFJFHSA-N 1 0 329.487 5.659 10 0 investigational EKAERO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ccoc2c1 ZINC000003810797 563487878 /nfs/dbraw/zinc/48/78/78/563487878.db2.gz MHPMXTGKTXJIDI-IBGZPJMESA-N 1 0 349.474 5.036 10 0 in-vivo EKAERO c1ccc([C@H]2CCC[C@@H]2N/C2=[NH+]/CCCCCCCCCCC2)cc1 ZINC000003874174 210082713 /nfs/dbraw/zinc/08/27/13/210082713.db2.gz RTRIXVOSRYRSBP-YADHBBJMSA-N 1 0 340.555 6.225 10 0 EKAERO c1ccc([C@H]2CCC[C@H]2N/C2=[NH+]/CCCCCCCCCCC2)cc1 ZINC000003921203 210094225 /nfs/dbraw/zinc/09/42/25/210094225.db2.gz RTRIXVOSRYRSBP-FGZHOGPDSA-N 1 0 340.555 6.225 10 0 EKAERO CCC(=O)C(C[C@H](C)[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000004213012 210145247 /nfs/dbraw/zinc/14/52/47/210145247.db2.gz SVDHSZFEQYXRDC-FQEVSTJZSA-N 1 0 349.518 5.216 10 0 in-man EKAERO C[C@@H]1c2ccccc2[C@@H](CCC[NH+](C)C)c2cc(C(F)(F)F)ccc21 ZINC000004213359 210144826 /nfs/dbraw/zinc/14/48/26/210144826.db2.gz JTAJFHGSVCEPKC-AUUYWEPGSA-N 1 0 347.424 5.644 10 0 in-man EKAERO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000004977339 210346747 /nfs/dbraw/zinc/34/67/47/210346747.db2.gz PEXNOWUVNJBAPF-HDICACEKSA-N 1 0 325.455 6.405 10 0 EKAERO CC(C)(C)[N@@H+]1C[C@H](C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000005045976 210374288 /nfs/dbraw/zinc/37/42/88/210374288.db2.gz IERBTJHONLXTSA-VXKWHMMOSA-N 1 0 343.470 5.494 10 0 EKAERO CC(C)(C)[N@@H+]1C[C@@H](C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000005045977 201360472 /nfs/dbraw/zinc/36/04/72/201360472.db2.gz IERBTJHONLXTSA-YADHBBJMSA-N 1 0 343.470 5.494 10 0 EKAERO CC[C@@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)C ZINC000005337000 210442862 /nfs/dbraw/zinc/44/28/62/210442862.db2.gz MVMKDYIJNMKXMS-LJQANCHMSA-N 1 0 330.495 6.403 10 0 EKAERO c1ccc(-c2cc(-c3ccccc3)sc(=[N+]3CCCCC3)c2)cc1 ZINC000005490729 135671755 /nfs/dbraw/zinc/67/17/55/135671755.db2.gz IEICLKPJRPWIEY-UHFFFAOYSA-N 1 0 332.492 6.354 10 0 EKAERO c1ccc(-c2cc(-c3ccccc3)sc(=[N+]3CCOCC3)c2)cc1 ZINC000005490732 135671805 /nfs/dbraw/zinc/67/18/05/135671805.db2.gz BIFJRGSXCBFLKC-UHFFFAOYSA-N 1 0 334.464 5.200 10 0 EKAERO CC[NH+](CC)CCCNc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000005649801 210508525 /nfs/dbraw/zinc/50/85/25/210508525.db2.gz BPGOVPPTXCAFFA-UHFFFAOYSA-N 1 0 349.478 5.152 10 0 EKAERO C[C@H]1c2ccccc2[C@@H](CCC[NH+](C)C)c2cc(C(F)(F)F)ccc21 ZINC000005752379 201661604 /nfs/dbraw/zinc/66/16/04/201661604.db2.gz JTAJFHGSVCEPKC-IFXJQAMLSA-N 1 0 347.424 5.644 10 0 in-man EKAERO Cc1ccc([C@@H]2CC=C(C)[C@H](c3ccccc3)[NH2+]2)nc1-c1ccccc1 ZINC000005812963 563551175 /nfs/dbraw/zinc/55/11/75/563551175.db2.gz OOMVPJKLUVYIGT-LADGPHEKSA-N 1 0 340.470 5.779 10 0 EKAERO Cc1ccc([C@@H]2CC=C(C)[C@@H](c3ccccc3)[NH2+]2)nc1-c1ccccc1 ZINC000005812966 563551032 /nfs/dbraw/zinc/55/10/32/563551032.db2.gz OOMVPJKLUVYIGT-UPVQGACJSA-N 1 0 340.470 5.779 10 0 EKAERO Cc1ccc([C@H]2CC=C(C)[C@H](c3ccccc3)[NH2+]2)nc1-c1ccccc1 ZINC000005812969 563551181 /nfs/dbraw/zinc/55/11/81/563551181.db2.gz OOMVPJKLUVYIGT-ISKFKSNPSA-N 1 0 340.470 5.779 10 0 EKAERO Cc1ccc([C@H]2CC=C(C)[C@@H](c3ccccc3)[NH2+]2)nc1-c1ccccc1 ZINC000005812977 563551081 /nfs/dbraw/zinc/55/10/81/563551081.db2.gz OOMVPJKLUVYIGT-VWNXMTODSA-N 1 0 340.470 5.779 10 0 EKAERO CCOc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436561 201799179 /nfs/dbraw/zinc/79/91/79/201799179.db2.gz RBYQJVSGWOBPBW-OSONQDNFSA-N 1 0 347.930 5.433 10 0 EKAERO CCOc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436562 211172719 /nfs/dbraw/zinc/17/27/19/211172719.db2.gz RBYQJVSGWOBPBW-RWLLOJOVSA-N 1 0 347.930 5.433 10 0 EKAERO [NH3+]Cc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000011851500 211258607 /nfs/dbraw/zinc/25/86/07/211258607.db2.gz TXKVCSDJWCWYKC-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO [NH3+]Cc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000011851501 211259672 /nfs/dbraw/zinc/25/96/72/211259672.db2.gz GFBDEUFIZUDPKN-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO [NH3+]Cc1ccc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000011851502 211259757 /nfs/dbraw/zinc/25/97/57/211259757.db2.gz VDXCYQPHBCOGRU-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO [NH3+]Cc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000011851561 211259397 /nfs/dbraw/zinc/25/93/97/211259397.db2.gz FXFFTIVCBRSSSN-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO [NH3+]Cc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000011851562 211259310 /nfs/dbraw/zinc/25/93/10/211259310.db2.gz DPIITFYUJUBETQ-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO [NH3+]Cc1cccc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 ZINC000011851563 211259608 /nfs/dbraw/zinc/25/96/08/211259608.db2.gz FYPYUFYMKREQTF-UHFFFAOYSA-N 1 0 335.259 5.243 10 0 EKAERO C/C=C(\C)C[N@@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000012191492 211315900 /nfs/dbraw/zinc/31/59/00/211315900.db2.gz ROMAMMLUSQQWJJ-JFQJCAQQSA-N 1 0 345.486 5.334 10 0 EKAERO CCCCC[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468120 563698855 /nfs/dbraw/zinc/69/88/55/563698855.db2.gz YIBLLNKVEAJJCJ-WZYRSQIMSA-N 1 0 337.507 5.362 10 0 EKAERO CCCCC[C@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468122 563698888 /nfs/dbraw/zinc/69/88/88/563698888.db2.gz YIBLLNKVEAJJCJ-CWBXHPNXSA-N 1 0 337.507 5.362 10 0 EKAERO CCCCC[C@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468128 211562624 /nfs/dbraw/zinc/56/26/24/211562624.db2.gz YIBLLNKVEAJJCJ-MYDTUXCISA-N 1 0 337.507 5.362 10 0 EKAERO c1ccc(C2=CC[N@H+](C[C@H]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000013738833 201366190 /nfs/dbraw/zinc/36/61/90/201366190.db2.gz XBGWTWPYCTZIIE-FQEVSTJZSA-N 1 0 329.487 5.659 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000019873760 212078732 /nfs/dbraw/zinc/07/87/32/212078732.db2.gz NFCTVBZECXMJFE-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@H]([NH3+])c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000019873761 212078424 /nfs/dbraw/zinc/07/84/24/212078424.db2.gz NFCTVBZECXMJFE-QMMMGPOBSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000019873762 212078356 /nfs/dbraw/zinc/07/83/56/212078356.db2.gz ROEPKOCRQKUPKF-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000019873763 212079061 /nfs/dbraw/zinc/07/90/61/212079061.db2.gz ROEPKOCRQKUPKF-QMMMGPOBSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000019873767 212078449 /nfs/dbraw/zinc/07/84/49/212078449.db2.gz HDKSMSDSTXBLHO-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000019873769 212078700 /nfs/dbraw/zinc/07/87/00/212078700.db2.gz HDKSMSDSTXBLHO-QMMMGPOBSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000019878625 212078343 /nfs/dbraw/zinc/07/83/43/212078343.db2.gz DWCUETSVARLOGO-OLZOCXBDSA-N 1 0 344.252 5.607 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878629 212078157 /nfs/dbraw/zinc/07/81/57/212078157.db2.gz DWCUETSVARLOGO-STQMWFEESA-N 1 0 344.252 5.607 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878631 212078244 /nfs/dbraw/zinc/07/82/44/212078244.db2.gz DWCUETSVARLOGO-CHWSQXEVSA-N 1 0 344.252 5.607 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878633 212078552 /nfs/dbraw/zinc/07/85/52/212078552.db2.gz DWCUETSVARLOGO-QWHCGFSZSA-N 1 0 344.252 5.607 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 ZINC000019943928 212088253 /nfs/dbraw/zinc/08/82/53/212088253.db2.gz GLBUAZFDEJFLLF-LLVKDONJSA-N 1 0 348.215 5.185 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 ZINC000019943930 212088806 /nfs/dbraw/zinc/08/88/06/212088806.db2.gz GLBUAZFDEJFLLF-NSHDSACASA-N 1 0 348.215 5.185 10 0 EKAERO Cc1ccc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019962623 212090844 /nfs/dbraw/zinc/09/08/44/212090844.db2.gz FLIIUCPLJILJBV-CYBMUJFWSA-N 1 0 344.252 5.355 10 0 EKAERO Cc1ccc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019962625 212090710 /nfs/dbraw/zinc/09/07/10/212090710.db2.gz FLIIUCPLJILJBV-ZDUSSCGKSA-N 1 0 344.252 5.355 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121907 212104115 /nfs/dbraw/zinc/10/41/15/212104115.db2.gz DOIANOPGJSQDHY-NEPJUHHUSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121908 212104387 /nfs/dbraw/zinc/10/43/87/212104387.db2.gz DOIANOPGJSQDHY-RYUDHWBXSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121909 212104121 /nfs/dbraw/zinc/10/41/21/212104121.db2.gz DOIANOPGJSQDHY-VXGBXAGGSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020121910 212104264 /nfs/dbraw/zinc/10/42/64/212104264.db2.gz DOIANOPGJSQDHY-NWDGAFQWSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000020122005 212104429 /nfs/dbraw/zinc/10/44/29/212104429.db2.gz MWOQKWWJQIYTBF-SECBINFHSA-N 1 0 330.678 5.015 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000020122006 212104587 /nfs/dbraw/zinc/10/45/87/212104587.db2.gz MWOQKWWJQIYTBF-VIFPVBQESA-N 1 0 330.678 5.015 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1Cl ZINC000020124106 212104319 /nfs/dbraw/zinc/10/43/19/212104319.db2.gz CVCSIAXWVYCWSB-SNVBAGLBSA-N 1 0 342.639 5.092 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1Cl ZINC000020124107 212104055 /nfs/dbraw/zinc/10/40/55/212104055.db2.gz CVCSIAXWVYCWSB-JTQLQIEISA-N 1 0 342.639 5.092 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124198 212103744 /nfs/dbraw/zinc/10/37/44/212103744.db2.gz MXAQAGKSDGAQDA-NEPJUHHUSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124199 212103993 /nfs/dbraw/zinc/10/39/93/212103993.db2.gz MXAQAGKSDGAQDA-RYUDHWBXSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124200 212104136 /nfs/dbraw/zinc/10/41/36/212104136.db2.gz MXAQAGKSDGAQDA-VXGBXAGGSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124201 212104271 /nfs/dbraw/zinc/10/42/71/212104271.db2.gz MXAQAGKSDGAQDA-NWDGAFQWSA-N 1 0 338.676 5.514 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000020124296 212104661 /nfs/dbraw/zinc/10/46/61/212104661.db2.gz LKGUZOKAGVXOLU-SNVBAGLBSA-N 1 0 342.639 5.092 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000020124297 212104047 /nfs/dbraw/zinc/10/40/47/212104047.db2.gz LKGUZOKAGVXOLU-JTQLQIEISA-N 1 0 342.639 5.092 10 0 EKAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(Br)cc1Cl ZINC000020373062 212123702 /nfs/dbraw/zinc/12/37/02/212123702.db2.gz DWAWWGYEOVJANJ-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc(Br)cc1Cl ZINC000020373066 212123605 /nfs/dbraw/zinc/12/36/05/212123605.db2.gz DWAWWGYEOVJANJ-QMMMGPOBSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(Br)cc2Cl)c(F)c1 ZINC000020373070 212123366 /nfs/dbraw/zinc/12/33/66/212123366.db2.gz IFDAECBTCCRURA-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO CC(C)(C)[NH2+][C@@H]1C=C(C(C)(C)C)Sc2nc(-c3ccccc3)cn21 ZINC000020467475 212135158 /nfs/dbraw/zinc/13/51/58/212135158.db2.gz HVLSVJBOEMCRJD-KRWDZBQOSA-N 1 0 341.524 5.473 10 0 EKAERO CC(C)(C)[NH2+][C@H]1C=C(C(C)(C)C)Sc2nc(-c3ccccc3)cn21 ZINC000020467477 202043625 /nfs/dbraw/zinc/04/36/25/202043625.db2.gz HVLSVJBOEMCRJD-QGZVFWFLSA-N 1 0 341.524 5.473 10 0 EKAERO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020906597 212185816 /nfs/dbraw/zinc/18/58/16/212185816.db2.gz WKEISMYEINQZEG-QGZVFWFLSA-N 1 0 338.476 5.091 10 0 EKAERO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020906599 212185728 /nfs/dbraw/zinc/18/57/28/212185728.db2.gz WKEISMYEINQZEG-KRWDZBQOSA-N 1 0 338.476 5.091 10 0 EKAERO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)c(C)s1 ZINC000021502746 212227999 /nfs/dbraw/zinc/22/79/99/212227999.db2.gz ZDWDFPQBDACORV-LLVKDONJSA-N 1 0 328.308 5.565 10 0 EKAERO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)c(C)s1 ZINC000021502748 212227269 /nfs/dbraw/zinc/22/72/69/212227269.db2.gz ZDWDFPQBDACORV-NSHDSACASA-N 1 0 328.308 5.565 10 0 EKAERO CC[C@@H]([NH2+][C@@H](C)CCCC(C)C)c1ccc(Br)cc1 ZINC000021814556 212253079 /nfs/dbraw/zinc/25/30/79/212253079.db2.gz CJIWLYGPZXVOAX-WMLDXEAASA-N 1 0 326.322 5.705 10 0 EKAERO CC[C@H]([NH2+][C@@H](C)CCCC(C)C)c1ccc(Br)cc1 ZINC000021814558 212253002 /nfs/dbraw/zinc/25/30/02/212253002.db2.gz CJIWLYGPZXVOAX-YOEHRIQHSA-N 1 0 326.322 5.705 10 0 EKAERO CC[C@@H]([NH2+][C@H](C)CCCC(C)C)c1ccc(Br)cc1 ZINC000021814560 212253515 /nfs/dbraw/zinc/25/35/15/212253515.db2.gz CJIWLYGPZXVOAX-RHSMWYFYSA-N 1 0 326.322 5.705 10 0 EKAERO CC[C@H]([NH2+][C@H](C)CCCC(C)C)c1ccc(Br)cc1 ZINC000021814562 212253263 /nfs/dbraw/zinc/25/32/63/212253263.db2.gz CJIWLYGPZXVOAX-PBHICJAKSA-N 1 0 326.322 5.705 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])CCC1CCCC1 ZINC000021815846 212253523 /nfs/dbraw/zinc/25/35/23/212253523.db2.gz FTTLGDAKLWTYAH-AWEZNQCLSA-N 1 0 346.696 5.081 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])CCC1CCCC1 ZINC000021815848 212253792 /nfs/dbraw/zinc/25/37/92/212253792.db2.gz FTTLGDAKLWTYAH-CQSZACIVSA-N 1 0 346.696 5.081 10 0 EKAERO CCCCC[C@@H](CC(C)=O)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000021987397 212268198 /nfs/dbraw/zinc/26/81/98/212268198.db2.gz NSYMRMKDBSWOMZ-QHCPKHFHSA-N 1 0 337.507 5.617 10 0 EKAERO CCCCC[C@H](CC(C)=O)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000021987399 212268874 /nfs/dbraw/zinc/26/88/74/212268874.db2.gz NSYMRMKDBSWOMZ-HSZRJFAPSA-N 1 0 337.507 5.617 10 0 EKAERO Clc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000026289465 564177422 /nfs/dbraw/zinc/17/74/22/564177422.db2.gz ASYJQHKPLFUJFY-UHFFFAOYSA-N 1 0 340.879 5.239 10 0 EKAERO NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1 ZINC000028362317 581097280 /nfs/dbraw/zinc/09/72/80/581097280.db2.gz SEMRDESNSNIQCH-UHFFFAOYSA-N 1 0 340.426 5.169 10 0 EKAERO NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1 ZINC000028364925 201388120 /nfs/dbraw/zinc/38/81/20/201388120.db2.gz VWKDMGIRFQHGHQ-VOTSOKGWSA-N 1 0 338.410 5.554 10 0 in-vivo EKAERO CC[NH+](CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000029485686 202187737 /nfs/dbraw/zinc/18/77/37/202187737.db2.gz CMPKTAXJJJLOGY-LPHOPBHVSA-N 1 0 334.290 5.912 10 0 EKAERO CC[NH+](CC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000029485692 202187756 /nfs/dbraw/zinc/18/77/56/202187756.db2.gz CMPKTAXJJJLOGY-APWZRJJASA-N 1 0 334.290 5.912 10 0 EKAERO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000030731089 564177443 /nfs/dbraw/zinc/17/74/43/564177443.db2.gz MCJKBWHDNUSJLW-VHXPQNKSSA-N 1 0 343.470 5.393 10 0 world EKAERO Fc1ccc(C(CCC[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC000033755657 202268876 /nfs/dbraw/zinc/26/88/76/202268876.db2.gz CTFUUWFEHWHMTP-UHFFFAOYSA-N 1 0 329.434 5.363 10 0 EKAERO Cc1c(Sc2ccccc2)c2ccccc2n1C1CC[NH+](C)CC1 ZINC000034432669 202273852 /nfs/dbraw/zinc/27/38/52/202273852.db2.gz LVEYKPDUWMBZKF-UHFFFAOYSA-N 1 0 336.504 5.368 10 0 EKAERO CC[NH2+][C@H](C)c1ccc(Sc2ccccc2Br)cc1 ZINC000034669405 212979976 /nfs/dbraw/zinc/97/99/76/212979976.db2.gz OIORYLZTRFCKLF-GFCCVEGCSA-N 1 0 336.298 5.271 10 0 EKAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(F)cc2Br)s1 ZINC000034673257 212981579 /nfs/dbraw/zinc/98/15/79/212981579.db2.gz GBLACQRIHZFFTQ-ZDUSSCGKSA-N 1 0 342.277 5.377 10 0 EKAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)cc1 ZINC000034996150 213004018 /nfs/dbraw/zinc/00/40/18/213004018.db2.gz CHMYBRMHZVFBGO-GFCCVEGCSA-N 1 0 338.314 5.485 10 0 EKAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)cc1 ZINC000034996151 213004161 /nfs/dbraw/zinc/00/41/61/213004161.db2.gz CHMYBRMHZVFBGO-LBPRGKRZSA-N 1 0 338.314 5.485 10 0 EKAERO CCC(C)(C)C1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000035013268 213003339 /nfs/dbraw/zinc/00/33/39/213003339.db2.gz FZTQDEUHJHIUEJ-UHFFFAOYSA-N 1 0 344.362 5.595 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)cc1 ZINC000035016608 213005492 /nfs/dbraw/zinc/00/54/92/213005492.db2.gz UYRZENOKJZVORT-HNNXBMFYSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)cc1 ZINC000035016610 213005554 /nfs/dbraw/zinc/00/55/54/213005554.db2.gz UYRZENOKJZVORT-OAHLLOKOSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1F)c1cccs1 ZINC000035017349 213004958 /nfs/dbraw/zinc/00/49/58/213004958.db2.gz UCFCGLYPYWHPFC-HNNXBMFYSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1cccs1 ZINC000035017351 213005733 /nfs/dbraw/zinc/00/57/33/213005733.db2.gz UCFCGLYPYWHPFC-OAHLLOKOSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1F)c1cccs1 ZINC000035017357 213005845 /nfs/dbraw/zinc/00/58/45/213005845.db2.gz XHSBTJIHQPOQRG-HNNXBMFYSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1ccc(Br)s1)c1cccs1 ZINC000035017378 213005314 /nfs/dbraw/zinc/00/53/14/213005314.db2.gz KVBQSNCAPRKDKK-ZDUSSCGKSA-N 1 0 330.316 5.059 10 0 EKAERO CC(C)[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccs1 ZINC000035017379 213005825 /nfs/dbraw/zinc/00/58/25/213005825.db2.gz KVBQSNCAPRKDKK-CYBMUJFWSA-N 1 0 330.316 5.059 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000035017400 213005434 /nfs/dbraw/zinc/00/54/34/213005434.db2.gz UWWWOFFFPNZCDZ-HNNXBMFYSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000035231754 202292804 /nfs/dbraw/zinc/29/28/04/202292804.db2.gz ZHQDQRBUAKPWNZ-MRVWCRGKSA-N 1 0 330.335 5.061 10 0 EKAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000035231757 213015188 /nfs/dbraw/zinc/01/51/88/213015188.db2.gz ZHQDQRBUAKPWNZ-KWCYVHTRSA-N 1 0 330.335 5.061 10 0 EKAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2csc(Br)c2)cc1 ZINC000035255988 213015727 /nfs/dbraw/zinc/01/57/27/213015727.db2.gz HCNNXQIXAFLODD-GFCCVEGCSA-N 1 0 338.314 5.485 10 0 EKAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2csc(Br)c2)cc1 ZINC000035255989 213016023 /nfs/dbraw/zinc/01/60/23/213016023.db2.gz HCNNXQIXAFLODD-LBPRGKRZSA-N 1 0 338.314 5.485 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000035256084 213015365 /nfs/dbraw/zinc/01/53/65/213015365.db2.gz OEXKTAFCDQAMEU-HNNXBMFYSA-N 1 0 342.277 5.137 10 0 EKAERO CC(C)[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000035256085 213015518 /nfs/dbraw/zinc/01/55/18/213015518.db2.gz OEXKTAFCDQAMEU-OAHLLOKOSA-N 1 0 342.277 5.137 10 0 EKAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000035285819 201658381 /nfs/dbraw/zinc/65/83/81/201658381.db2.gz JNPSOWCFLSTWNH-VIFPVBQESA-N 1 0 334.699 5.602 10 0 EKAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000035285820 201657999 /nfs/dbraw/zinc/65/79/99/201657999.db2.gz JNPSOWCFLSTWNH-SECBINFHSA-N 1 0 334.699 5.602 10 0 EKAERO [NH3+][C@@H](c1cc2c(s1)CCCCC2)c1cc(Cl)sc1Cl ZINC000035382490 213024568 /nfs/dbraw/zinc/02/45/68/213024568.db2.gz VAWYHLAZEVROQJ-CYBMUJFWSA-N 1 0 332.321 5.433 10 0 EKAERO [NH3+][C@H](c1cc2c(s1)CCCCC2)c1cc(Cl)sc1Cl ZINC000035382491 213024399 /nfs/dbraw/zinc/02/43/99/213024399.db2.gz VAWYHLAZEVROQJ-ZDUSSCGKSA-N 1 0 332.321 5.433 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(CC(C)C)cc1 ZINC000035459458 213029909 /nfs/dbraw/zinc/02/99/09/213029909.db2.gz FHUPDHPQKIWUED-MRXNPFEDSA-N 1 0 338.314 5.018 10 0 EKAERO CCc1ccc([C@H]([NH2+]C)c2cc(Br)ccc2Cl)s1 ZINC000035460577 213030120 /nfs/dbraw/zinc/03/01/20/213030120.db2.gz GORQXLNCYRRQOC-CQSZACIVSA-N 1 0 344.705 5.035 10 0 EKAERO CCc1ccc([C@@H]([NH2+]C)c2cc(Br)ccc2Cl)s1 ZINC000035460580 213029737 /nfs/dbraw/zinc/02/97/37/213029737.db2.gz GORQXLNCYRRQOC-AWEZNQCLSA-N 1 0 344.705 5.035 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000035462437 213029765 /nfs/dbraw/zinc/02/97/65/213029765.db2.gz POSIDTRTPIKFMU-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000035462440 202305022 /nfs/dbraw/zinc/30/50/22/202305022.db2.gz POSIDTRTPIKFMU-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035462937 213030563 /nfs/dbraw/zinc/03/05/63/213030563.db2.gz LFICUTJXZQDXCC-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035462940 213029885 /nfs/dbraw/zinc/02/98/85/213029885.db2.gz LFICUTJXZQDXCC-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000035463007 202304641 /nfs/dbraw/zinc/30/46/41/202304641.db2.gz GURKBZPOABDBNA-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000035463010 213030690 /nfs/dbraw/zinc/03/06/90/213030690.db2.gz GURKBZPOABDBNA-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000035463016 202304915 /nfs/dbraw/zinc/30/49/15/202304915.db2.gz XKTBGLYARIBKNH-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000035463019 213030357 /nfs/dbraw/zinc/03/03/57/213030357.db2.gz XKTBGLYARIBKNH-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000035463051 213030388 /nfs/dbraw/zinc/03/03/88/213030388.db2.gz HLJYPBADMMNFAR-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000035463054 213030588 /nfs/dbraw/zinc/03/05/88/213030588.db2.gz HLJYPBADMMNFAR-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000035464086 213030315 /nfs/dbraw/zinc/03/03/15/213030315.db2.gz NTEKMVKRPVPJBV-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000035464089 213030260 /nfs/dbraw/zinc/03/02/60/213030260.db2.gz NTEKMVKRPVPJBV-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1cc(Br)ccc1Cl ZINC000035468035 213030365 /nfs/dbraw/zinc/03/03/65/213030365.db2.gz HOUSUINGISSFEN-INIZCTEOSA-N 1 0 338.676 5.028 10 0 EKAERO C[NH2+][C@H](c1ccc(C)cc1C)c1cc(Br)ccc1Cl ZINC000035468037 213031083 /nfs/dbraw/zinc/03/10/83/213031083.db2.gz HOUSUINGISSFEN-MRXNPFEDSA-N 1 0 338.676 5.028 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 ZINC000035493395 213031855 /nfs/dbraw/zinc/03/18/55/213031855.db2.gz WMHFFQIRHFNSEH-HNNXBMFYSA-N 1 0 338.314 5.117 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 ZINC000035493398 213032839 /nfs/dbraw/zinc/03/28/39/213032839.db2.gz WMHFFQIRHFNSEH-OAHLLOKOSA-N 1 0 338.314 5.117 10 0 EKAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(Br)ccc1Cl ZINC000035497438 213031867 /nfs/dbraw/zinc/03/18/67/213031867.db2.gz PZVMJNFHHDSHLS-AWEZNQCLSA-N 1 0 344.705 5.090 10 0 EKAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(Br)ccc1Cl ZINC000035497440 202304014 /nfs/dbraw/zinc/30/40/14/202304014.db2.gz PZVMJNFHHDSHLS-CQSZACIVSA-N 1 0 344.705 5.090 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)s1)c1csc2ccccc21 ZINC000035499468 213032796 /nfs/dbraw/zinc/03/27/96/213032796.db2.gz MQMZQKFNLHZUMR-CQSZACIVSA-N 1 0 338.295 5.034 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)s1)c1csc2ccccc21 ZINC000035499470 213032092 /nfs/dbraw/zinc/03/20/92/213032092.db2.gz MQMZQKFNLHZUMR-AWEZNQCLSA-N 1 0 338.295 5.034 10 0 EKAERO C[NH2+][C@@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501520 213031799 /nfs/dbraw/zinc/03/17/99/213031799.db2.gz NRTDGCOJQILOAF-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501521 213032059 /nfs/dbraw/zinc/03/20/59/213032059.db2.gz NRTDGCOJQILOAF-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000035501623 202304535 /nfs/dbraw/zinc/30/45/35/202304535.db2.gz VFJBFZNOFZLXIJ-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000035501624 213032524 /nfs/dbraw/zinc/03/25/24/213032524.db2.gz VFJBFZNOFZLXIJ-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000035501653 213032262 /nfs/dbraw/zinc/03/22/62/213032262.db2.gz ZHOKSFZUSSCMDM-AWEZNQCLSA-N 1 0 335.061 5.609 10 0 EKAERO C[NH2+][C@@H](c1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000035501887 213031992 /nfs/dbraw/zinc/03/19/92/213031992.db2.gz DCGXDAZYEWEWOK-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000035501888 213032444 /nfs/dbraw/zinc/03/24/44/213032444.db2.gz DCGXDAZYEWEWOK-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1cc2c(s1)CCCC2)c1cc(Cl)sc1Cl ZINC000035502036 213034087 /nfs/dbraw/zinc/03/40/87/213034087.db2.gz CPAUCMOOUXIFAU-ZDUSSCGKSA-N 1 0 332.321 5.304 10 0 EKAERO C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1cc(Cl)sc1Cl ZINC000035502037 213034204 /nfs/dbraw/zinc/03/42/04/213034204.db2.gz CPAUCMOOUXIFAU-CYBMUJFWSA-N 1 0 332.321 5.304 10 0 EKAERO CCCCC[C@@H]([NH2+]CC)c1cc(Cl)cc(Br)c1OC ZINC000035509763 213034221 /nfs/dbraw/zinc/03/42/21/213034221.db2.gz RFPKQVTUXJBJII-CQSZACIVSA-N 1 0 348.712 5.342 10 0 EKAERO CC[NH2+][C@@H](CC(C)(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035509817 213033263 /nfs/dbraw/zinc/03/32/63/213033263.db2.gz VQTXHNJBXYPVTA-ZDUSSCGKSA-N 1 0 348.712 5.198 10 0 EKAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035509970 213035308 /nfs/dbraw/zinc/03/53/08/213035308.db2.gz ADFBGJRHDPGXDY-CQSZACIVSA-N 1 0 344.705 5.171 10 0 EKAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035509972 213035805 /nfs/dbraw/zinc/03/58/05/213035805.db2.gz ADFBGJRHDPGXDY-AWEZNQCLSA-N 1 0 344.705 5.171 10 0 EKAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000035538924 213036005 /nfs/dbraw/zinc/03/60/05/213036005.db2.gz UZACFHYFPUGZHU-CJNGLKHVSA-N 1 0 326.322 5.562 10 0 EKAERO CC[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000035538929 213036785 /nfs/dbraw/zinc/03/67/85/213036785.db2.gz UZACFHYFPUGZHU-BBRMVZONSA-N 1 0 326.322 5.562 10 0 EKAERO CC[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000035538932 213036423 /nfs/dbraw/zinc/03/64/23/213036423.db2.gz UZACFHYFPUGZHU-XJKSGUPXSA-N 1 0 326.322 5.562 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1c(C)cc(C)cc1C ZINC000035547685 213037165 /nfs/dbraw/zinc/03/71/65/213037165.db2.gz XVRLISDWVQBBNI-INIZCTEOSA-N 1 0 338.314 5.135 10 0 EKAERO CC[NH2+][C@H](c1ccc(Br)s1)c1c(C)cc(C)cc1C ZINC000035547687 213037981 /nfs/dbraw/zinc/03/79/81/213037981.db2.gz XVRLISDWVQBBNI-MRXNPFEDSA-N 1 0 338.314 5.135 10 0 EKAERO CCCc1ccc([C@H]([NH2+]CC)c2ccc(Br)s2)cc1 ZINC000035550226 213037967 /nfs/dbraw/zinc/03/79/67/213037967.db2.gz QTHAHGDDVDUTNZ-INIZCTEOSA-N 1 0 338.314 5.162 10 0 EKAERO CCCc1ccc([C@@H]([NH2+]CC)c2ccc(Br)s2)cc1 ZINC000035550229 213037425 /nfs/dbraw/zinc/03/74/25/213037425.db2.gz QTHAHGDDVDUTNZ-MRXNPFEDSA-N 1 0 338.314 5.162 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035552902 213037104 /nfs/dbraw/zinc/03/71/04/213037104.db2.gz VTHHUQQHSHWASD-CYBMUJFWSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035552906 213037476 /nfs/dbraw/zinc/03/74/76/213037476.db2.gz VTHHUQQHSHWASD-ZDUSSCGKSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035553108 213037899 /nfs/dbraw/zinc/03/78/99/213037899.db2.gz HMFRLXNKZRXXRU-ZDUSSCGKSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035553111 213037724 /nfs/dbraw/zinc/03/77/24/213037724.db2.gz HMFRLXNKZRXXRU-CYBMUJFWSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035553120 213037259 /nfs/dbraw/zinc/03/72/59/213037259.db2.gz XKCRQGRVYQHADC-CYBMUJFWSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035553123 213037230 /nfs/dbraw/zinc/03/72/30/213037230.db2.gz XKCRQGRVYQHADC-ZDUSSCGKSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000035553477 213037834 /nfs/dbraw/zinc/03/78/34/213037834.db2.gz AHAWQJZYRTZXAB-LBPRGKRZSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000035553481 213037301 /nfs/dbraw/zinc/03/73/01/213037301.db2.gz AHAWQJZYRTZXAB-GFCCVEGCSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)ccc1Br ZINC000035553567 213037949 /nfs/dbraw/zinc/03/79/49/213037949.db2.gz CHSOYJQBODRBHO-CYBMUJFWSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)ccc1Br ZINC000035553571 202305666 /nfs/dbraw/zinc/30/56/66/202305666.db2.gz CHSOYJQBODRBHO-ZDUSSCGKSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1Br ZINC000035553652 213037685 /nfs/dbraw/zinc/03/76/85/213037685.db2.gz JCVWPHFUQTWDSN-ZDUSSCGKSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1Br ZINC000035553656 213038094 /nfs/dbraw/zinc/03/80/94/213038094.db2.gz JCVWPHFUQTWDSN-CYBMUJFWSA-N 1 0 348.668 5.002 10 0 EKAERO CC[NH2+][C@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035557915 213038151 /nfs/dbraw/zinc/03/81/51/213038151.db2.gz YTHRZOHSBYVXHY-ZDUSSCGKSA-N 1 0 349.055 5.048 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035557918 202306777 /nfs/dbraw/zinc/30/67/77/202306777.db2.gz YTHRZOHSBYVXHY-CYBMUJFWSA-N 1 0 349.055 5.048 10 0 EKAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1cc(Cl)sc1Cl ZINC000035559222 213037444 /nfs/dbraw/zinc/03/74/44/213037444.db2.gz WGJRPVWRJFRPAN-ZDUSSCGKSA-N 1 0 332.321 5.304 10 0 EKAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)c1cc(Cl)sc1Cl ZINC000035559224 213037489 /nfs/dbraw/zinc/03/74/89/213037489.db2.gz WGJRPVWRJFRPAN-CYBMUJFWSA-N 1 0 332.321 5.304 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000035559279 213037999 /nfs/dbraw/zinc/03/79/99/213037999.db2.gz SKZLOEBXHQNYFZ-LBPRGKRZSA-N 1 0 334.699 5.602 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000035559281 213037552 /nfs/dbraw/zinc/03/75/52/213037552.db2.gz SKZLOEBXHQNYFZ-GFCCVEGCSA-N 1 0 334.699 5.602 10 0 EKAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(Br)cc1F ZINC000035573109 213039310 /nfs/dbraw/zinc/03/93/10/213039310.db2.gz ORMPHJACUYUAGR-HNNXBMFYSA-N 1 0 342.277 5.047 10 0 EKAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cc(F)ccc1Br ZINC000035573236 213039274 /nfs/dbraw/zinc/03/92/74/213039274.db2.gz GYXDTENLCRKINU-HNNXBMFYSA-N 1 0 342.277 5.047 10 0 EKAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035573257 213039576 /nfs/dbraw/zinc/03/95/76/213039576.db2.gz LLLDYMYYWYUKRZ-HNNXBMFYSA-N 1 0 342.277 5.047 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035573258 213038961 /nfs/dbraw/zinc/03/89/61/213038961.db2.gz LLLDYMYYWYUKRZ-OAHLLOKOSA-N 1 0 342.277 5.047 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035574437 213039479 /nfs/dbraw/zinc/03/94/79/213039479.db2.gz NNJMFGHFBGHBCD-MRXNPFEDSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035574439 213038533 /nfs/dbraw/zinc/03/85/33/213038533.db2.gz NNJMFGHFBGHBCD-INIZCTEOSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000035575243 213038524 /nfs/dbraw/zinc/03/85/24/213038524.db2.gz GUCFJDROISFZMQ-INIZCTEOSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000035575245 213039561 /nfs/dbraw/zinc/03/95/61/213039561.db2.gz GUCFJDROISFZMQ-MRXNPFEDSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1Cl ZINC000035575629 213039232 /nfs/dbraw/zinc/03/92/32/213039232.db2.gz LYRLPJHXBLEBOZ-INIZCTEOSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1Cl ZINC000035575633 213039065 /nfs/dbraw/zinc/03/90/65/213039065.db2.gz LYRLPJHXBLEBOZ-MRXNPFEDSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Br)s1)c1ccc(C)cc1C ZINC000035579433 213038807 /nfs/dbraw/zinc/03/88/07/213038807.db2.gz NTGYPMRQCKQFRS-INIZCTEOSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[NH2+][C@@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035581100 213038646 /nfs/dbraw/zinc/03/86/46/213038646.db2.gz KRCVOOCTYIRKHB-CQSZACIVSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035581101 202307009 /nfs/dbraw/zinc/30/70/09/202307009.db2.gz KRCVOOCTYIRKHB-AWEZNQCLSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035583240 213039438 /nfs/dbraw/zinc/03/94/38/213039438.db2.gz QCHFMECYAOEYKO-CQSZACIVSA-N 1 0 344.343 5.278 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035583242 213039292 /nfs/dbraw/zinc/03/92/92/213039292.db2.gz QCHFMECYAOEYKO-AWEZNQCLSA-N 1 0 344.343 5.278 10 0 EKAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1Br ZINC000035583426 213039139 /nfs/dbraw/zinc/03/91/39/213039139.db2.gz RVFFNNXGVGPQMY-INIZCTEOSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1Br ZINC000035583427 213038605 /nfs/dbraw/zinc/03/86/05/213038605.db2.gz RVFFNNXGVGPQMY-MRXNPFEDSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035583574 213039512 /nfs/dbraw/zinc/03/95/12/213039512.db2.gz NVQCXQFXOUCZBT-AWEZNQCLSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035583575 213038873 /nfs/dbraw/zinc/03/88/73/213038873.db2.gz NVQCXQFXOUCZBT-CQSZACIVSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035583692 213039388 /nfs/dbraw/zinc/03/93/88/213039388.db2.gz UESCXGZZOBDFON-AWEZNQCLSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035583693 213039464 /nfs/dbraw/zinc/03/94/64/213039464.db2.gz UESCXGZZOBDFON-CQSZACIVSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1Br ZINC000035583706 213039038 /nfs/dbraw/zinc/03/90/38/213039038.db2.gz SXRDZJNSNIQZCH-AWEZNQCLSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1Br ZINC000035583707 213040206 /nfs/dbraw/zinc/04/02/06/213040206.db2.gz SXRDZJNSNIQZCH-CQSZACIVSA-N 1 0 344.705 5.253 10 0 EKAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000035585581 213040003 /nfs/dbraw/zinc/04/00/03/213040003.db2.gz YQHUAZJLYANPSD-ZDUSSCGKSA-N 1 0 334.699 5.797 10 0 EKAERO CCC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000035585583 213040041 /nfs/dbraw/zinc/04/00/41/213040041.db2.gz YQHUAZJLYANPSD-CYBMUJFWSA-N 1 0 334.699 5.797 10 0 EKAERO CCC(O)(CC)c1ccc(C[N@@H+](Cc2ccccc2F)CC(C)C)o1 ZINC000036167887 213074536 /nfs/dbraw/zinc/07/45/36/213074536.db2.gz CQMVRAZXAUPWNI-UHFFFAOYSA-N 1 0 347.474 5.085 10 0 EKAERO CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(Cl)cc21 ZINC000036293992 213082299 /nfs/dbraw/zinc/08/22/99/213082299.db2.gz JHPFYBMGJDPOOI-ZROIWOOFSA-N 1 0 332.920 6.012 10 0 EKAERO C[C@@H]([NH3+])c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1 ZINC000036477932 213099131 /nfs/dbraw/zinc/09/91/31/213099131.db2.gz FBBHSSXFCYJCBE-LLVKDONJSA-N 1 0 332.513 5.130 10 0 EKAERO CC(C)[C@H]([NH3+])c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000036666931 213108279 /nfs/dbraw/zinc/10/82/79/213108279.db2.gz RFHKEEBBUDLPLO-AWEZNQCLSA-N 1 0 334.699 6.031 10 0 EKAERO CC(C)[C@@H]([NH3+])c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000036666932 201787478 /nfs/dbraw/zinc/78/74/78/201787478.db2.gz RFHKEEBBUDLPLO-CQSZACIVSA-N 1 0 334.699 6.031 10 0 EKAERO C[NH2+][C@H](c1ccc(-c2cc(Br)ccc2F)s1)C(C)C ZINC000036752999 213117287 /nfs/dbraw/zinc/11/72/87/213117287.db2.gz DHTHXWFWSLWCMY-HNNXBMFYSA-N 1 0 342.277 5.233 10 0 EKAERO C[NH2+][C@@H](c1ccc(-c2cc(Br)ccc2F)s1)C(C)C ZINC000036753001 213117550 /nfs/dbraw/zinc/11/75/50/213117550.db2.gz DHTHXWFWSLWCMY-OAHLLOKOSA-N 1 0 342.277 5.233 10 0 EKAERO CCC[C@H]([NH3+])c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753089 202331173 /nfs/dbraw/zinc/33/11/73/202331173.db2.gz VIQFXXRMKQEUEH-LBPRGKRZSA-N 1 0 328.250 5.117 10 0 EKAERO CCC[C@@H]([NH3+])c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753091 202330575 /nfs/dbraw/zinc/33/05/75/202330575.db2.gz VIQFXXRMKQEUEH-GFCCVEGCSA-N 1 0 328.250 5.117 10 0 EKAERO CC[NH2+][C@H](c1ccc(Br)s1)c1ccc(C(C)C)cc1 ZINC000036820101 213121827 /nfs/dbraw/zinc/12/18/27/213121827.db2.gz SEUIWSHARQZHFV-INIZCTEOSA-N 1 0 338.314 5.333 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1ccc(C(C)C)cc1 ZINC000036820102 213121372 /nfs/dbraw/zinc/12/13/72/213121372.db2.gz SEUIWSHARQZHFV-MRXNPFEDSA-N 1 0 338.314 5.333 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000036830061 213120687 /nfs/dbraw/zinc/12/06/87/213120687.db2.gz CHESUZGNSLIPTN-INIZCTEOSA-N 1 0 338.676 5.110 10 0 EKAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000036830064 213121355 /nfs/dbraw/zinc/12/13/55/213121355.db2.gz CHESUZGNSLIPTN-MRXNPFEDSA-N 1 0 338.676 5.110 10 0 EKAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(Br)cc1C ZINC000036830153 213121678 /nfs/dbraw/zinc/12/16/78/213121678.db2.gz RXCXQDOWHIEYEA-INIZCTEOSA-N 1 0 338.314 5.135 10 0 EKAERO CC[C@H]([NH2+]Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000036921284 213126515 /nfs/dbraw/zinc/12/65/15/213126515.db2.gz PNWHHYVXLYVSBS-INIZCTEOSA-N 1 0 338.676 5.343 10 0 EKAERO CC[C@@H]([NH2+]Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000036921285 213126583 /nfs/dbraw/zinc/12/65/83/213126583.db2.gz PNWHHYVXLYVSBS-MRXNPFEDSA-N 1 0 338.676 5.343 10 0 EKAERO CCC[C@H]([NH3+])c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927957 213126550 /nfs/dbraw/zinc/12/65/50/213126550.db2.gz AQFJLNBPEKRTFK-LBPRGKRZSA-N 1 0 328.250 5.117 10 0 EKAERO CCC[C@@H]([NH3+])c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927958 213125873 /nfs/dbraw/zinc/12/58/73/213125873.db2.gz AQFJLNBPEKRTFK-GFCCVEGCSA-N 1 0 328.250 5.117 10 0 EKAERO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccccc1Br ZINC000036945337 213125697 /nfs/dbraw/zinc/12/56/97/213125697.db2.gz UTRSMRZEWHMEPV-AWEZNQCLSA-N 1 0 326.322 5.561 10 0 EKAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2Br)c(C)s1 ZINC000036945349 213127065 /nfs/dbraw/zinc/12/70/65/213127065.db2.gz ICBSKPWBPYLRFG-NWDGAFQWSA-N 1 0 338.314 5.539 10 0 EKAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2Br)c(C)s1 ZINC000036945351 213127683 /nfs/dbraw/zinc/12/76/83/213127683.db2.gz ICBSKPWBPYLRFG-VXGBXAGGSA-N 1 0 338.314 5.539 10 0 EKAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2Br)c(C)s1 ZINC000036945352 213127667 /nfs/dbraw/zinc/12/76/67/213127667.db2.gz ICBSKPWBPYLRFG-NEPJUHHUSA-N 1 0 338.314 5.539 10 0 EKAERO CCCCCC[C@H](C)[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000036991654 213128472 /nfs/dbraw/zinc/12/84/72/213128472.db2.gz SUHLRHZMWYULEE-YOEHRIQHSA-N 1 0 326.322 5.849 10 0 EKAERO CCCCCC[C@@H](C)[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000036991655 213129031 /nfs/dbraw/zinc/12/90/31/213129031.db2.gz SUHLRHZMWYULEE-RHSMWYFYSA-N 1 0 326.322 5.849 10 0 EKAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)c1ccc(Br)cc1 ZINC000036991664 213128870 /nfs/dbraw/zinc/12/88/70/213128870.db2.gz SETFDDMACHTQIR-SWLSCSKDSA-N 1 0 338.314 5.621 10 0 EKAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)c1ccc(Br)cc1 ZINC000036991665 213128913 /nfs/dbraw/zinc/12/89/13/213128913.db2.gz SETFDDMACHTQIR-DOMZBBRYSA-N 1 0 338.314 5.621 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992110 213129135 /nfs/dbraw/zinc/12/91/35/213129135.db2.gz BRJJXNKPLZCKCL-UWVGGRQHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000036992111 202334751 /nfs/dbraw/zinc/33/47/51/202334751.db2.gz BRJJXNKPLZCKCL-ZJUUUORDSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992112 213128577 /nfs/dbraw/zinc/12/85/77/213128577.db2.gz BRJJXNKPLZCKCL-VHSXEESVSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992113 213128285 /nfs/dbraw/zinc/12/82/85/213128285.db2.gz BRJJXNKPLZCKCL-NXEZZACHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000036992120 213128820 /nfs/dbraw/zinc/12/88/20/213128820.db2.gz UQDGRQRCOSDESR-IUCAKERBSA-N 1 0 334.699 6.120 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000036992121 213128324 /nfs/dbraw/zinc/12/83/24/213128324.db2.gz UQDGRQRCOSDESR-DTWKUNHWSA-N 1 0 334.699 6.120 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cc(Cl)ccc1Cl ZINC000036992122 213128500 /nfs/dbraw/zinc/12/85/00/213128500.db2.gz UQDGRQRCOSDESR-BDAKNGLRSA-N 1 0 334.699 6.120 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000036992123 213128781 /nfs/dbraw/zinc/12/87/81/213128781.db2.gz UQDGRQRCOSDESR-RKDXNWHRSA-N 1 0 334.699 6.120 10 0 EKAERO CC[C@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(Br)cc1 ZINC000036992619 213128810 /nfs/dbraw/zinc/12/88/10/213128810.db2.gz TUJRGOOCKSPQIU-LRDDRELGSA-N 1 0 338.314 5.183 10 0 EKAERO CC[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(Br)cc1 ZINC000036992620 213128696 /nfs/dbraw/zinc/12/86/96/213128696.db2.gz TUJRGOOCKSPQIU-BLLLJJGKSA-N 1 0 338.314 5.183 10 0 EKAERO CC[C@H]([NH2+][C@H](C)Cc1cccs1)c1ccc(Br)cc1 ZINC000036992621 213128165 /nfs/dbraw/zinc/12/81/65/213128165.db2.gz TUJRGOOCKSPQIU-WBMJQRKESA-N 1 0 338.314 5.183 10 0 EKAERO CC[C@@H]([NH2+][C@H](C)Cc1cccs1)c1ccc(Br)cc1 ZINC000036992622 213129173 /nfs/dbraw/zinc/12/91/73/213129173.db2.gz TUJRGOOCKSPQIU-MLGOLLRUSA-N 1 0 338.314 5.183 10 0 EKAERO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072790 213132831 /nfs/dbraw/zinc/13/28/31/213132831.db2.gz FIANFCASECIIBN-LRDDRELGSA-N 1 0 338.314 5.559 10 0 EKAERO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072791 213132844 /nfs/dbraw/zinc/13/28/44/213132844.db2.gz FIANFCASECIIBN-BLLLJJGKSA-N 1 0 338.314 5.559 10 0 EKAERO CC(C)[C@H]([NH2+][C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072792 213133231 /nfs/dbraw/zinc/13/32/31/213133231.db2.gz FIANFCASECIIBN-WBMJQRKESA-N 1 0 338.314 5.559 10 0 EKAERO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072793 213133427 /nfs/dbraw/zinc/13/34/27/213133427.db2.gz FIANFCASECIIBN-MLGOLLRUSA-N 1 0 338.314 5.559 10 0 EKAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000037105821 213132875 /nfs/dbraw/zinc/13/28/75/213132875.db2.gz CEGBVVQJSDQJBQ-STQMWFEESA-N 1 0 328.294 5.077 10 0 EKAERO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000037105822 213132771 /nfs/dbraw/zinc/13/27/71/213132771.db2.gz CEGBVVQJSDQJBQ-CHWSQXEVSA-N 1 0 328.294 5.077 10 0 EKAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000037105823 213133355 /nfs/dbraw/zinc/13/33/55/213133355.db2.gz CEGBVVQJSDQJBQ-QWHCGFSZSA-N 1 0 328.294 5.077 10 0 EKAERO Clc1ccc([C@H]([NH2+]Cc2cccs2)c2cccs2)s1 ZINC000037231993 213135833 /nfs/dbraw/zinc/13/58/33/213135833.db2.gz GDLJYNXCXNRERL-CQSZACIVSA-N 1 0 325.911 5.404 10 0 EKAERO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037243212 213136631 /nfs/dbraw/zinc/13/66/31/213136631.db2.gz RATOVIBBMCTXIQ-INIZCTEOSA-N 1 0 338.676 5.343 10 0 EKAERO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037243215 213136657 /nfs/dbraw/zinc/13/66/57/213136657.db2.gz RATOVIBBMCTXIQ-MRXNPFEDSA-N 1 0 338.676 5.343 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)c(Br)c1 ZINC000037243276 213136674 /nfs/dbraw/zinc/13/66/74/213136674.db2.gz SWXJTYZJFBSDTF-JTQLQIEISA-N 1 0 342.639 5.092 10 0 EKAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1sccc1Br ZINC000037271986 213138191 /nfs/dbraw/zinc/13/81/91/213138191.db2.gz AKYCRALRIWEHCY-SGMGOOAPSA-N 1 0 344.362 5.766 10 0 EKAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1sccc1Br ZINC000037271988 213138240 /nfs/dbraw/zinc/13/82/40/213138240.db2.gz AKYCRALRIWEHCY-MBNYWOFBSA-N 1 0 344.362 5.766 10 0 EKAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1sccc1Br ZINC000037271990 213137188 /nfs/dbraw/zinc/13/71/88/213137188.db2.gz AKYCRALRIWEHCY-OBJOEFQTSA-N 1 0 344.362 5.766 10 0 EKAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1sccc1Br ZINC000037271992 213137424 /nfs/dbraw/zinc/13/74/24/213137424.db2.gz AKYCRALRIWEHCY-DYEKYZERSA-N 1 0 344.362 5.766 10 0 EKAERO Cc1cc(C)c([C@H]([NH3+])c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287769 213138067 /nfs/dbraw/zinc/13/80/67/213138067.db2.gz QGAMAGJHOIZEPB-MRXNPFEDSA-N 1 0 338.676 5.076 10 0 EKAERO Cc1cc(C)c([C@@H]([NH3+])c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287770 213139192 /nfs/dbraw/zinc/13/91/92/213139192.db2.gz QGAMAGJHOIZEPB-INIZCTEOSA-N 1 0 338.676 5.076 10 0 EKAERO CCCc1ccc([C@H]([NH3+])c2cc(Br)ccc2Cl)cc1 ZINC000037287806 213139423 /nfs/dbraw/zinc/13/94/23/213139423.db2.gz HECQXKFLWVLLCM-INIZCTEOSA-N 1 0 338.676 5.103 10 0 EKAERO CCCc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Cl)cc1 ZINC000037287807 213139451 /nfs/dbraw/zinc/13/94/51/213139451.db2.gz HECQXKFLWVLLCM-MRXNPFEDSA-N 1 0 338.676 5.103 10 0 EKAERO CC[C@H]([NH2+][C@@H](C)c1sccc1Br)c1ccc(C)cc1 ZINC000037296038 213139441 /nfs/dbraw/zinc/13/94/41/213139441.db2.gz BSEOFTRSAZMIIU-WFASDCNBSA-N 1 0 338.314 5.621 10 0 EKAERO CC[C@@H]([NH2+][C@@H](C)c1sccc1Br)c1ccc(C)cc1 ZINC000037296040 213139539 /nfs/dbraw/zinc/13/95/39/213139539.db2.gz BSEOFTRSAZMIIU-SWLSCSKDSA-N 1 0 338.314 5.621 10 0 EKAERO CC[C@H]([NH2+][C@H](C)c1sccc1Br)c1ccc(C)cc1 ZINC000037296042 213139122 /nfs/dbraw/zinc/13/91/22/213139122.db2.gz BSEOFTRSAZMIIU-DOMZBBRYSA-N 1 0 338.314 5.621 10 0 EKAERO CC[C@@H]([NH2+][C@H](C)c1sccc1Br)c1ccc(C)cc1 ZINC000037296044 213139402 /nfs/dbraw/zinc/13/94/02/213139402.db2.gz BSEOFTRSAZMIIU-IUODEOHRSA-N 1 0 338.314 5.621 10 0 EKAERO CC(C)[C@H]([NH3+])c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037335705 213140004 /nfs/dbraw/zinc/14/00/04/213140004.db2.gz RAJNOFGEHHYYIS-AWEZNQCLSA-N 1 0 334.699 6.031 10 0 EKAERO CC(C)[C@@H]([NH3+])c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037335707 213140682 /nfs/dbraw/zinc/14/06/82/213140682.db2.gz RAJNOFGEHHYYIS-CQSZACIVSA-N 1 0 334.699 6.031 10 0 EKAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(Br)cc2Cl)c(C)c1 ZINC000037365763 213141796 /nfs/dbraw/zinc/14/17/96/213141796.db2.gz UCVRBNOXMHWUBN-INIZCTEOSA-N 1 0 338.676 5.076 10 0 EKAERO CCCc1ccc([C@H]([NH3+])c2ccc(Br)cc2Cl)cc1 ZINC000037365800 213141190 /nfs/dbraw/zinc/14/11/90/213141190.db2.gz DNBTXYHCAZMKGM-INIZCTEOSA-N 1 0 338.676 5.103 10 0 EKAERO CCCc1ccc([C@@H]([NH3+])c2ccc(Br)cc2Cl)cc1 ZINC000037365802 213141324 /nfs/dbraw/zinc/14/13/24/213141324.db2.gz DNBTXYHCAZMKGM-MRXNPFEDSA-N 1 0 338.676 5.103 10 0 EKAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1ccc(Br)cc1Cl ZINC000037365980 213141230 /nfs/dbraw/zinc/14/12/30/213141230.db2.gz AVLPMRHJVPUUFO-MRXNPFEDSA-N 1 0 338.676 5.028 10 0 EKAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1ccc(Br)cc1Cl ZINC000037366094 213142020 /nfs/dbraw/zinc/14/20/20/213142020.db2.gz FBYJJPKKGSGGCH-MRXNPFEDSA-N 1 0 338.676 5.028 10 0 EKAERO C[NH2+][C@H](c1cc(C)ccc1C)c1ccc(Br)cc1Cl ZINC000037366096 213141564 /nfs/dbraw/zinc/14/15/64/213141564.db2.gz FBYJJPKKGSGGCH-INIZCTEOSA-N 1 0 338.676 5.028 10 0 EKAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Br)cc1Cl ZINC000037366253 213141184 /nfs/dbraw/zinc/14/11/84/213141184.db2.gz LYFZWTWBNKRNDO-INIZCTEOSA-N 1 0 338.676 5.110 10 0 EKAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1Cl ZINC000037366391 213142070 /nfs/dbraw/zinc/14/20/70/213142070.db2.gz QRHRETRMVZUGSA-INIZCTEOSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1Cl ZINC000037366394 213141990 /nfs/dbraw/zinc/14/19/90/213141990.db2.gz QRHRETRMVZUGSA-MRXNPFEDSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[C@H]([NH2+]C)c1ccc(-c2cc(Br)ccc2C)s1 ZINC000037369230 201970138 /nfs/dbraw/zinc/97/01/38/201970138.db2.gz KOTYEMSMDWOISR-AWEZNQCLSA-N 1 0 338.314 5.547 10 0 EKAERO C[NH2+][C@H](c1ccc(-c2cc(Br)ccc2C)s1)C1CC1 ZINC000037369250 213142079 /nfs/dbraw/zinc/14/20/79/213142079.db2.gz UJXOESIIPAEZDM-INIZCTEOSA-N 1 0 336.298 5.157 10 0 EKAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000037379245 202339867 /nfs/dbraw/zinc/33/98/67/202339867.db2.gz JDHKBPCDRQALRU-JTQLQIEISA-N 1 0 327.063 5.410 10 0 EKAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000037379248 213143081 /nfs/dbraw/zinc/14/30/81/213143081.db2.gz JDHKBPCDRQALRU-SNVBAGLBSA-N 1 0 327.063 5.410 10 0 EKAERO c1ccc(-c2ccc(-c3cncc(C[NH+]4CCCCC4)c3)cc2)cc1 ZINC000037554019 213157039 /nfs/dbraw/zinc/15/70/39/213157039.db2.gz NULONKITRRJZJC-UHFFFAOYSA-N 1 0 328.459 5.402 10 0 EKAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2sccc2Br)c(C)c1 ZINC000037772176 202035356 /nfs/dbraw/zinc/03/53/56/202035356.db2.gz CNGZBJGOHAKWHC-OLZOCXBDSA-N 1 0 338.314 5.539 10 0 EKAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2Br)c(C)c1 ZINC000037772177 202035158 /nfs/dbraw/zinc/03/51/58/202035158.db2.gz CNGZBJGOHAKWHC-STQMWFEESA-N 1 0 338.314 5.539 10 0 EKAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2sccc2Br)c(C)c1 ZINC000037772178 213165033 /nfs/dbraw/zinc/16/50/33/213165033.db2.gz CNGZBJGOHAKWHC-CHWSQXEVSA-N 1 0 338.314 5.539 10 0 EKAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2sccc2Br)c(C)c1 ZINC000037772179 213165932 /nfs/dbraw/zinc/16/59/32/213165932.db2.gz CNGZBJGOHAKWHC-QWHCGFSZSA-N 1 0 338.314 5.539 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000037977244 213179760 /nfs/dbraw/zinc/17/97/60/213179760.db2.gz VOOUJTANEMWXCH-LBPRGKRZSA-N 1 0 346.293 5.515 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000037977245 213179938 /nfs/dbraw/zinc/17/99/38/213179938.db2.gz VOOUJTANEMWXCH-GFCCVEGCSA-N 1 0 346.293 5.515 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001866 213186316 /nfs/dbraw/zinc/18/63/16/213186316.db2.gz XRODELMRLWBQCI-UWVGGRQHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000038001867 202383696 /nfs/dbraw/zinc/38/36/96/202383696.db2.gz XRODELMRLWBQCI-ZJUUUORDSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001868 202384381 /nfs/dbraw/zinc/38/43/81/202384381.db2.gz XRODELMRLWBQCI-VHSXEESVSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001869 213185607 /nfs/dbraw/zinc/18/56/07/213185607.db2.gz XRODELMRLWBQCI-NXEZZACHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(Br)s1 ZINC000038001894 213186427 /nfs/dbraw/zinc/18/64/27/213186427.db2.gz KJTMKBTYVLLXPT-UWVGGRQHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccccc1Cl ZINC000038001895 213186302 /nfs/dbraw/zinc/18/63/02/213186302.db2.gz KJTMKBTYVLLXPT-ZJUUUORDSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(Br)s1 ZINC000038001896 202383522 /nfs/dbraw/zinc/38/35/22/202383522.db2.gz KJTMKBTYVLLXPT-VHSXEESVSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(Br)s1 ZINC000038001897 213186436 /nfs/dbraw/zinc/18/64/36/213186436.db2.gz KJTMKBTYVLLXPT-NXEZZACHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001898 213186504 /nfs/dbraw/zinc/18/65/04/213186504.db2.gz FVTOJOHSNOZRME-UWVGGRQHSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000038001899 213186542 /nfs/dbraw/zinc/18/65/42/213186542.db2.gz FVTOJOHSNOZRME-ZJUUUORDSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001900 213186246 /nfs/dbraw/zinc/18/62/46/213186246.db2.gz FVTOJOHSNOZRME-VHSXEESVSA-N 1 0 344.705 5.576 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001901 213185573 /nfs/dbraw/zinc/18/55/73/213185573.db2.gz FVTOJOHSNOZRME-NXEZZACHSA-N 1 0 344.705 5.576 10 0 EKAERO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002897 213187222 /nfs/dbraw/zinc/18/72/22/213187222.db2.gz IJVSVYNPWDQLRO-HZMBPMFUSA-N 1 0 344.343 5.620 10 0 EKAERO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002898 213186948 /nfs/dbraw/zinc/18/69/48/213186948.db2.gz IJVSVYNPWDQLRO-IINYFYTJSA-N 1 0 344.343 5.620 10 0 EKAERO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002899 213187929 /nfs/dbraw/zinc/18/79/29/213187929.db2.gz IJVSVYNPWDQLRO-YGRLFVJLSA-N 1 0 344.343 5.620 10 0 EKAERO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002900 213187902 /nfs/dbraw/zinc/18/79/02/213187902.db2.gz IJVSVYNPWDQLRO-QMTHXVAHSA-N 1 0 344.343 5.620 10 0 EKAERO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000038012537 213188051 /nfs/dbraw/zinc/18/80/51/213188051.db2.gz CMVFAQFVGLJEIO-JTQLQIEISA-N 1 0 342.639 5.092 10 0 EKAERO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000038012538 213188364 /nfs/dbraw/zinc/18/83/64/213188364.db2.gz CMVFAQFVGLJEIO-SNVBAGLBSA-N 1 0 342.639 5.092 10 0 EKAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000038030820 213194217 /nfs/dbraw/zinc/19/42/17/213194217.db2.gz WQLOYWJTIDCVNV-LBPRGKRZSA-N 1 0 333.909 5.981 10 0 EKAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000038030821 213194342 /nfs/dbraw/zinc/19/43/42/213194342.db2.gz WQLOYWJTIDCVNV-GFCCVEGCSA-N 1 0 333.909 5.981 10 0 EKAERO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000038038913 213195289 /nfs/dbraw/zinc/19/52/89/213195289.db2.gz SXUWAERRWKRZEF-CYBMUJFWSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000038038914 213195823 /nfs/dbraw/zinc/19/58/23/213195823.db2.gz SXUWAERRWKRZEF-ZDUSSCGKSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c(C)c1 ZINC000038038971 202092451 /nfs/dbraw/zinc/09/24/51/202092451.db2.gz YTMSNWMPEIPBSJ-CYBMUJFWSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c(C)c1 ZINC000038038972 213195819 /nfs/dbraw/zinc/19/58/19/213195819.db2.gz YTMSNWMPEIPBSJ-ZDUSSCGKSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1C ZINC000038039015 202093030 /nfs/dbraw/zinc/09/30/30/202093030.db2.gz KCJBODRZJFLBES-CYBMUJFWSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1C ZINC000038039016 213196303 /nfs/dbraw/zinc/19/63/03/213196303.db2.gz KCJBODRZJFLBES-ZDUSSCGKSA-N 1 0 336.248 5.056 10 0 EKAERO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2Br)C2CC2)cc1 ZINC000038039133 202092308 /nfs/dbraw/zinc/09/23/08/202092308.db2.gz XROWMHBFPZSAQM-SFHVURJKSA-N 1 0 348.259 5.138 10 0 EKAERO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2Br)C2CC2)cc1 ZINC000038039134 213195798 /nfs/dbraw/zinc/19/57/98/213195798.db2.gz XROWMHBFPZSAQM-GOSISDBHSA-N 1 0 348.259 5.138 10 0 EKAERO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1 ZINC000038039173 202092074 /nfs/dbraw/zinc/09/20/74/202092074.db2.gz UBFRYZBPDHREDB-KRWDZBQOSA-N 1 0 336.248 5.075 10 0 EKAERO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1 ZINC000038039174 213195803 /nfs/dbraw/zinc/19/58/03/213195803.db2.gz UBFRYZBPDHREDB-QGZVFWFLSA-N 1 0 336.248 5.075 10 0 EKAERO Cc1cc2[nH]ccc2c(N(Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC000039133171 213231677 /nfs/dbraw/zinc/23/16/77/213231677.db2.gz NCIQQGSGAOSGNY-UHFFFAOYSA-N 1 0 327.431 5.078 10 0 EKAERO Cc1[nH]c2ccc(F)cc2c1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000039294488 213233844 /nfs/dbraw/zinc/23/38/44/213233844.db2.gz NRWZLDKCKZGEHW-UHFFFAOYSA-N 1 0 336.454 5.038 10 0 EKAERO CC[NH+](CC)CCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040389590 213297023 /nfs/dbraw/zinc/29/70/23/213297023.db2.gz QJHUIALJQCYCTJ-UHFFFAOYSA-N 1 0 335.495 5.052 10 0 EKAERO CCCC[NH+](CCCC)CCCn1c2ccccc2nc1C(C)C ZINC000040389857 213296434 /nfs/dbraw/zinc/29/64/34/213296434.db2.gz SWFCYABJQLNSMJ-UHFFFAOYSA-N 1 0 329.532 5.452 10 0 EKAERO CCCC[NH+](CCCC)CCCn1c2ccccc2nc1CCC ZINC000040389863 213296635 /nfs/dbraw/zinc/29/66/35/213296635.db2.gz KDCLGPXHCZEFGW-UHFFFAOYSA-N 1 0 329.532 5.281 10 0 EKAERO CCCC[NH+](CCCC)CCCn1c2ccccc2nc1C(C)(C)C ZINC000040389883 213296994 /nfs/dbraw/zinc/29/69/94/213296994.db2.gz LJFCJDCPWPBIQW-UHFFFAOYSA-N 1 0 343.559 5.626 10 0 EKAERO Cc1cc(Nc2ccc(Br)cc2C)c2ccccc2[nH+]1 ZINC000040400780 213297868 /nfs/dbraw/zinc/29/78/68/213297868.db2.gz OTPKRTJZVLCNPE-UHFFFAOYSA-N 1 0 327.225 5.358 10 0 EKAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040403772 213298944 /nfs/dbraw/zinc/29/89/44/213298944.db2.gz WQKUJUVCKBDHGV-UHFFFAOYSA-N 1 0 341.886 5.089 10 0 EKAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040403775 202437594 /nfs/dbraw/zinc/43/75/94/202437594.db2.gz YCYNYPHCNLDLRL-UHFFFAOYSA-N 1 0 341.886 5.089 10 0 EKAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040403908 213298691 /nfs/dbraw/zinc/29/86/91/213298691.db2.gz RCZSDERZFONUER-UHFFFAOYSA-N 1 0 347.915 5.150 10 0 EKAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040405585 213298311 /nfs/dbraw/zinc/29/83/11/213298311.db2.gz JZGSONSJPCMYML-UHFFFAOYSA-N 1 0 333.907 5.079 10 0 EKAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040405588 202438160 /nfs/dbraw/zinc/43/81/60/202438160.db2.gz ZEQYWHXYQXIJHS-UHFFFAOYSA-N 1 0 333.907 5.079 10 0 EKAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1-c1cccc(C)c1 ZINC000040405601 213299409 /nfs/dbraw/zinc/29/94/09/213299409.db2.gz RUNVRNQPGWCIEK-UHFFFAOYSA-N 1 0 341.886 5.007 10 0 EKAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040405603 213298849 /nfs/dbraw/zinc/29/88/49/213298849.db2.gz WNISTBWSHDVIAB-UHFFFAOYSA-N 1 0 341.886 5.007 10 0 EKAERO CCCC[NH+](CCCC)CCCn1c2ccc(Cl)cc2nc1CC ZINC000040406427 213300228 /nfs/dbraw/zinc/30/02/28/213300228.db2.gz BDPIKRFJPRHTHG-UHFFFAOYSA-N 1 0 349.950 5.544 10 0 EKAERO CCCC[NH+](CCCC)CCCn1c2cc(Cl)ccc2nc1CC ZINC000040406430 213300057 /nfs/dbraw/zinc/30/00/57/213300057.db2.gz QRSFFAPQTYVDFS-UHFFFAOYSA-N 1 0 349.950 5.544 10 0 EKAERO Cc1cc(N(CC(C)C)CC(C)C)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570836 213352170 /nfs/dbraw/zinc/35/21/70/213352170.db2.gz IQIRVYOVVUKOKC-UHFFFAOYSA-N 1 0 338.417 5.680 10 0 EKAERO Cc1cc(N(C)Cc2ccccc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570942 213352205 /nfs/dbraw/zinc/35/22/05/213352205.db2.gz AFMUGCVHTFLOBO-UHFFFAOYSA-N 1 0 330.353 5.198 10 0 EKAERO Cc1cc(NCCc2ccccc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570984 213352188 /nfs/dbraw/zinc/35/21/88/213352188.db2.gz PGCPTGFLNAPAQB-UHFFFAOYSA-N 1 0 330.353 5.217 10 0 EKAERO CC(=O)Nc1ccc(Cl)c(Nc2cc[nH+]c3c(C)cc(C)cc23)c1 ZINC000041055005 202471856 /nfs/dbraw/zinc/47/18/56/202471856.db2.gz IVFQLPMYNVCQCJ-UHFFFAOYSA-N 1 0 339.826 5.207 10 0 EKAERO Cc1ccc2c(Nc3ccc(Br)cc3C)cc[nH+]c2c1C ZINC000041055356 213410548 /nfs/dbraw/zinc/41/05/48/213410548.db2.gz DVQIPKQXGZGUTI-UHFFFAOYSA-N 1 0 341.252 5.666 10 0 EKAERO CC[C@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958625 213546063 /nfs/dbraw/zinc/54/60/63/213546063.db2.gz SUDBZDCWYWNUPF-JKSUJKDBSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958634 213546436 /nfs/dbraw/zinc/54/64/36/213546436.db2.gz SUDBZDCWYWNUPF-CVEARBPZSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024153 204196560 /nfs/dbraw/zinc/19/65/60/204196560.db2.gz MKMHCBLGVUHGNG-JKSUJKDBSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@H]([NH3+])[C@@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024159 213553677 /nfs/dbraw/zinc/55/36/77/213553677.db2.gz MKMHCBLGVUHGNG-HOTGVXAUSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024162 204196456 /nfs/dbraw/zinc/19/64/56/204196456.db2.gz MKMHCBLGVUHGNG-CVEARBPZSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@H]([NH3+])[C@H](Sc1cccs1)c1cccc(Br)c1 ZINC000043024752 213554073 /nfs/dbraw/zinc/55/40/73/213554073.db2.gz KFTCGKMTINTOHA-GXTWGEPZSA-N 1 0 342.327 5.081 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1Br ZINC000043095683 213560188 /nfs/dbraw/zinc/56/01/88/213560188.db2.gz DAKODGIFNXSCHS-CVEARBPZSA-N 1 0 336.298 5.020 10 0 EKAERO CC[C@H]([NH3+])[C@H](Sc1cccs1)c1ccccc1Br ZINC000043096115 213560252 /nfs/dbraw/zinc/56/02/52/213560252.db2.gz NGMWMVYIIZIRFN-GXTWGEPZSA-N 1 0 342.327 5.081 10 0 EKAERO C[C@@H]([NH3+])[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000043109154 213562055 /nfs/dbraw/zinc/56/20/55/213562055.db2.gz VJQCGKMVZHJWKV-UHLUBPPHSA-N 1 0 336.671 5.176 10 0 EKAERO C[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000049453988 214009305 /nfs/dbraw/zinc/00/93/05/214009305.db2.gz WMVZPLXMTDWNGB-UHFFFAOYSA-N 1 0 332.472 5.138 10 0 EKAERO CC[C@H]([NH2+][C@@H](C)c1sccc1Br)c1cccs1 ZINC000049529602 214014792 /nfs/dbraw/zinc/01/47/92/214014792.db2.gz HKOVFSQLGIMWFU-ONGXEEELSA-N 1 0 330.316 5.374 10 0 EKAERO CC[C@H]([NH2+][C@H](C)c1sccc1Br)c1cccs1 ZINC000049529604 214014823 /nfs/dbraw/zinc/01/48/23/214014823.db2.gz HKOVFSQLGIMWFU-KOLCDFICSA-N 1 0 330.316 5.374 10 0 EKAERO CCC[C@H]([NH2+][C@@H](C)c1sccc1Br)c1cccs1 ZINC000049541789 214015129 /nfs/dbraw/zinc/01/51/29/214015129.db2.gz HPDWUOOMBWQRKM-JQWIXIFHSA-N 1 0 344.343 5.764 10 0 EKAERO CCC[C@@H]([NH2+][C@H](C)c1sccc1Br)c1cccs1 ZINC000049541792 214014879 /nfs/dbraw/zinc/01/48/79/214014879.db2.gz HPDWUOOMBWQRKM-ZYHUDNBSSA-N 1 0 344.343 5.764 10 0 EKAERO CCC[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000049541832 214015353 /nfs/dbraw/zinc/01/53/53/214015353.db2.gz XYTUOZDSZCZMHV-QWRGUYRKSA-N 1 0 344.343 5.764 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000052924373 214155324 /nfs/dbraw/zinc/15/53/24/214155324.db2.gz BLHYVITUKIJMHG-ZETCQYMHSA-N 1 0 349.055 5.296 10 0 EKAERO COc1ccc2c(Nc3ccc(Br)cc3C)cc[nH+]c2c1 ZINC000054202367 214223547 /nfs/dbraw/zinc/22/35/47/214223547.db2.gz RQWFTBBUBRKAJQ-UHFFFAOYSA-N 1 0 343.224 5.058 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3ccccc3Cl)c2cc1OCC ZINC000054202405 214223865 /nfs/dbraw/zinc/22/38/65/214223865.db2.gz RPXBDTBXKXYDLF-UHFFFAOYSA-N 1 0 342.826 5.429 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3cc(C)cc(C)c3)c2cc1OCC ZINC000054202410 214224829 /nfs/dbraw/zinc/22/48/29/214224829.db2.gz STTZZFDYZYQNEO-UHFFFAOYSA-N 1 0 336.435 5.393 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3ccccc3CC)c2cc1OCC ZINC000054202417 214224708 /nfs/dbraw/zinc/22/47/08/214224708.db2.gz IICIKYBMZPAFLX-UHFFFAOYSA-N 1 0 336.435 5.338 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3ccc(C)cc3C)c2cc1OCC ZINC000054202422 214224915 /nfs/dbraw/zinc/22/49/15/214224915.db2.gz IELUDTKWJNGHQN-UHFFFAOYSA-N 1 0 336.435 5.393 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3cc(F)cc(F)c3)c2cc1OCC ZINC000054202435 214225165 /nfs/dbraw/zinc/22/51/65/214225165.db2.gz WOCBWAIXOVKBFL-UHFFFAOYSA-N 1 0 344.361 5.054 10 0 EKAERO CCOc1cc2[nH+]ccc(Nc3cc(F)ccc3F)c2cc1OCC ZINC000054202440 214225132 /nfs/dbraw/zinc/22/51/32/214225132.db2.gz JQHUOWHPLMHDNM-UHFFFAOYSA-N 1 0 344.361 5.054 10 0 EKAERO C[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)c1ccsc1 ZINC000061361336 214661164 /nfs/dbraw/zinc/66/11/64/214661164.db2.gz PVPOJVRSNNXDFD-OLQXHTCTSA-N 1 0 336.298 5.107 10 0 EKAERO Cc1ccccc1CSc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061700461 214672984 /nfs/dbraw/zinc/67/29/84/214672984.db2.gz IGQDQMUZRRXCEU-GFCCVEGCSA-N 1 0 336.298 5.070 10 0 EKAERO COc1cc2[nH+]ccc(Nc3ccccc3C(F)(F)F)c2cc1OC ZINC000065005277 202823324 /nfs/dbraw/zinc/82/33/24/202823324.db2.gz XTWTXZFHRYGBGL-UHFFFAOYSA-N 1 0 348.324 5.014 10 0 EKAERO Cc1nc([C@H](C)NCc2c(C)n(CC(C)C)c3ccccc23)cs1 ZINC000067513953 563962335 /nfs/dbraw/zinc/96/23/35/563962335.db2.gz ANMACBWYXMHNBN-AWEZNQCLSA-N 1 0 341.524 5.221 10 0 EKAERO Cc1ccc(C2=CC=CC[C@@]2(C)[PH+](C(C)(C)C)C(C)(C)C)c(C)c1 ZINC000095081013 218274548 /nfs/dbraw/zinc/27/45/48/218274548.db2.gz UUHLMECQDMEEPM-HSZRJFAPSA-N 1 0 342.507 7.484 10 0 EKAERO Cc1ccc(C2=CC=CC[C@]2(C)[PH+](C(C)(C)C)C(C)(C)C)c(C)c1 ZINC000095081014 218274515 /nfs/dbraw/zinc/27/45/15/218274515.db2.gz UUHLMECQDMEEPM-QHCPKHFHSA-N 1 0 342.507 7.484 10 0 EKAERO Cc1cccc(C)c1-c1ccccc1[PH+](C(C)(C)C)C(C)(C)C ZINC000095081015 218274991 /nfs/dbraw/zinc/27/49/91/218274991.db2.gz BKSBWMABBLBKKW-UHFFFAOYSA-N 1 0 326.464 6.675 10 0 EKAERO CC[C@@H](C)[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1 ZINC000095918370 218449548 /nfs/dbraw/zinc/44/95/48/218449548.db2.gz MZLMPCCTCWOSMQ-ZWNOBZJWSA-N 1 0 325.827 5.097 10 0 EKAERO c1csc(C[NH+]2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)c1 ZINC000096052548 218544215 /nfs/dbraw/zinc/54/42/15/218544215.db2.gz UGNMWODALNJJFA-UHFFFAOYSA-N 1 0 349.499 5.488 10 0 EKAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000097393558 219021098 /nfs/dbraw/zinc/02/10/98/219021098.db2.gz DMCYCWLCVKIOFS-MNOVXSKESA-N 1 0 329.312 5.395 10 0 EKAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000097393560 219020676 /nfs/dbraw/zinc/02/06/76/219020676.db2.gz DMCYCWLCVKIOFS-GHMZBOCLSA-N 1 0 329.312 5.395 10 0 EKAERO Fc1ccc(C(F)(F)F)cc1-c1cnc(Nc2cc[nH+]cc2)s1 ZINC000097758425 219054849 /nfs/dbraw/zinc/05/48/49/219054849.db2.gz SQJJKHYLPINZSN-UHFFFAOYSA-N 1 0 339.317 5.107 10 0 EKAERO [NH3+]CCCCCCCCCCCCCCCC(=O)C1CCCCC1 ZINC000098088101 219082332 /nfs/dbraw/zinc/08/23/32/219082332.db2.gz RYVGWQDLAVSRHO-UHFFFAOYSA-N 1 0 337.592 6.556 10 0 EKAERO c1ccc(-c2nccc(C[NH+]3CCCCC3)c2-c2ccccc2)cc1 ZINC000098179799 219086549 /nfs/dbraw/zinc/08/65/49/219086549.db2.gz WQSVEIOWMKAPLI-UHFFFAOYSA-N 1 0 328.459 5.402 10 0 EKAERO CCC[NH2+][C@H](Cc1ccc(Br)cc1)C[C@H](C)CCC ZINC000103929516 219330534 /nfs/dbraw/zinc/33/05/34/219330534.db2.gz MJOGTGNUADFNKA-PBHICJAKSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@H](Cc1ccc(Br)cc1)C[C@@H](C)CCC ZINC000103929519 219330283 /nfs/dbraw/zinc/33/02/83/219330283.db2.gz MJOGTGNUADFNKA-YOEHRIQHSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@@H](Cc1ccc(Br)cc1)C[C@@H](C)CCC ZINC000103929528 206478566 /nfs/dbraw/zinc/47/85/66/206478566.db2.gz MJOGTGNUADFNKA-WMLDXEAASA-N 1 0 326.322 5.186 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)c1ccccc1Br ZINC000103931042 219330491 /nfs/dbraw/zinc/33/04/91/219330491.db2.gz PQYONZUIEQPNNG-ZDUSSCGKSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)c1ccccc1Br ZINC000103931046 219330509 /nfs/dbraw/zinc/33/05/09/219330509.db2.gz PQYONZUIEQPNNG-CYBMUJFWSA-N 1 0 344.705 5.057 10 0 EKAERO CCC[NH2+][C@H](C)c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000103933195 219330315 /nfs/dbraw/zinc/33/03/15/219330315.db2.gz FHUAFIZKGBARHB-SNVBAGLBSA-N 1 0 342.664 5.423 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000103936398 219330519 /nfs/dbraw/zinc/33/05/19/219330519.db2.gz YWSPBEMWGPANMX-ZDUSSCGKSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000103936402 219330504 /nfs/dbraw/zinc/33/05/04/219330504.db2.gz YWSPBEMWGPANMX-CYBMUJFWSA-N 1 0 344.705 5.057 10 0 EKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000103936669 219330453 /nfs/dbraw/zinc/33/04/53/219330453.db2.gz QMPVNPOTDMYSLI-CQSZACIVSA-N 1 0 335.061 5.543 10 0 EKAERO C[NH2+][C@H](Cc1ccc(Cl)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000103936673 219330291 /nfs/dbraw/zinc/33/02/91/219330291.db2.gz NQJVVBWUFFTQQV-JTQLQIEISA-N 1 0 334.699 5.082 10 0 EKAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1ccccc1C ZINC000103937986 219330581 /nfs/dbraw/zinc/33/05/81/219330581.db2.gz XXCLWVMLKXNUND-MRXNPFEDSA-N 1 0 338.314 5.102 10 0 EKAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccccc1Cl ZINC000103938269 204090194 /nfs/dbraw/zinc/09/01/94/204090194.db2.gz CCPSVYJTTLJYDY-AWEZNQCLSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1cc(Br)cs1)c1ccccc1Cl ZINC000103938274 219330092 /nfs/dbraw/zinc/33/00/92/219330092.db2.gz CCPSVYJTTLJYDY-CQSZACIVSA-N 1 0 344.705 5.057 10 0 EKAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1Cc1sccc1Br ZINC000103938948 219330472 /nfs/dbraw/zinc/33/04/72/219330472.db2.gz GVWAWNUFUWZMNT-GZBFAFLISA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1Cc1sccc1Br ZINC000103938956 206479645 /nfs/dbraw/zinc/47/96/45/206479645.db2.gz GVWAWNUFUWZMNT-UMVBOHGHSA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1Cc1sccc1Br ZINC000103938960 219330356 /nfs/dbraw/zinc/33/03/56/219330356.db2.gz GVWAWNUFUWZMNT-NFAWXSAZSA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(C)cc1 ZINC000103939486 219331513 /nfs/dbraw/zinc/33/15/13/219331513.db2.gz FYICIWMWMNILDY-OAHLLOKOSA-N 1 0 338.314 5.102 10 0 EKAERO CCC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(C)cc1 ZINC000103939488 219330857 /nfs/dbraw/zinc/33/08/57/219330857.db2.gz SQUUGLAJHVQJBU-INIZCTEOSA-N 1 0 338.314 5.102 10 0 EKAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1ccc(C)cc1 ZINC000103939489 219331128 /nfs/dbraw/zinc/33/11/28/219331128.db2.gz SQUUGLAJHVQJBU-MRXNPFEDSA-N 1 0 338.314 5.102 10 0 EKAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(Br)s1 ZINC000103940198 219331596 /nfs/dbraw/zinc/33/15/96/219331596.db2.gz IUKYHJJJCPZFPL-GZBFAFLISA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(Br)s1 ZINC000103940201 219331436 /nfs/dbraw/zinc/33/14/36/219331436.db2.gz IUKYHJJJCPZFPL-GUTXKFCHSA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(Br)s1 ZINC000103940204 219331404 /nfs/dbraw/zinc/33/14/04/219331404.db2.gz IUKYHJJJCPZFPL-UMVBOHGHSA-N 1 0 344.362 5.248 10 0 EKAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(Br)s1 ZINC000103940206 219330780 /nfs/dbraw/zinc/33/07/80/219330780.db2.gz IUKYHJJJCPZFPL-NFAWXSAZSA-N 1 0 344.362 5.248 10 0 EKAERO [NH3+][C@H](CC1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000103940904 219330928 /nfs/dbraw/zinc/33/09/28/219330928.db2.gz MYHDCFZFSHRDSV-CYBMUJFWSA-N 1 0 336.195 5.048 10 0 EKAERO [NH3+][C@@H](CC1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000103940908 219331464 /nfs/dbraw/zinc/33/14/64/219331464.db2.gz MYHDCFZFSHRDSV-ZDUSSCGKSA-N 1 0 336.195 5.048 10 0 EKAERO C[NH2+][C@H](Cc1sccc1Br)c1ccc(C(C)C)cc1 ZINC000103942021 219331471 /nfs/dbraw/zinc/33/14/71/219331471.db2.gz JRUYYCDDAASNMX-OAHLLOKOSA-N 1 0 338.314 5.137 10 0 EKAERO C[NH2+][C@@H](Cc1sccc1Br)c1ccc(C(C)C)cc1 ZINC000103942023 219331493 /nfs/dbraw/zinc/33/14/93/219331493.db2.gz JRUYYCDDAASNMX-HNNXBMFYSA-N 1 0 338.314 5.137 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000103942035 219331455 /nfs/dbraw/zinc/33/14/55/219331455.db2.gz JEAVSDALSOQCCL-ZDUSSCGKSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000103942039 219331593 /nfs/dbraw/zinc/33/15/93/219331593.db2.gz JEAVSDALSOQCCL-CYBMUJFWSA-N 1 0 344.705 5.057 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC000103942216 219331460 /nfs/dbraw/zinc/33/14/60/219331460.db2.gz LXEJVMAFJOSFSW-CYBMUJFWSA-N 1 0 338.211 5.165 10 0 EKAERO CCC[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC000103942218 219330894 /nfs/dbraw/zinc/33/08/94/219330894.db2.gz LXEJVMAFJOSFSW-ZDUSSCGKSA-N 1 0 338.211 5.165 10 0 EKAERO CCC[NH2+][C@@H](c1cccc(Cl)c1)c1cccc(Br)c1 ZINC000103944708 219331232 /nfs/dbraw/zinc/33/12/32/219331232.db2.gz VIAFVLKOFYKNIN-MRXNPFEDSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](c1cccc(Cl)c1)c1cccc(Br)c1 ZINC000103944711 219330816 /nfs/dbraw/zinc/33/08/16/219330816.db2.gz VIAFVLKOFYKNIN-INIZCTEOSA-N 1 0 338.676 5.192 10 0 EKAERO CCC[NH2+][C@H](Cc1ccccc1Br)C[C@H](C)CCC ZINC000103944964 219331290 /nfs/dbraw/zinc/33/12/90/219331290.db2.gz ZKDUKZYJJMVFPA-ZBFHGGJFSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@H](Cc1ccccc1Br)C[C@@H](C)CCC ZINC000103944968 206478975 /nfs/dbraw/zinc/47/89/75/206478975.db2.gz ZKDUKZYJJMVFPA-HOCLYGCPSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@@H](Cc1ccccc1Br)C[C@H](C)CCC ZINC000103944971 219330985 /nfs/dbraw/zinc/33/09/85/219330985.db2.gz ZKDUKZYJJMVFPA-GDBMZVCRSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@@H](Cc1ccccc1Br)C[C@@H](C)CCC ZINC000103944976 219331473 /nfs/dbraw/zinc/33/14/73/219331473.db2.gz ZKDUKZYJJMVFPA-GOEBONIOSA-N 1 0 326.322 5.186 10 0 EKAERO CCCCCC[C@@H](Cc1ccccc1Br)[NH2+]CCC ZINC000103944983 219330957 /nfs/dbraw/zinc/33/09/57/219330957.db2.gz DTDKQLBMLRCWBE-INIZCTEOSA-N 1 0 326.322 5.330 10 0 EKAERO CCCCCC[C@H](Cc1ccccc1Br)[NH2+]CCC ZINC000103944984 219331519 /nfs/dbraw/zinc/33/15/19/219331519.db2.gz DTDKQLBMLRCWBE-MRXNPFEDSA-N 1 0 326.322 5.330 10 0 EKAERO CCC[NH2+][C@@H](CCc1sccc1Br)c1ccccc1 ZINC000103947372 219331074 /nfs/dbraw/zinc/33/10/74/219331074.db2.gz GRMTYFCMFPUBCY-HNNXBMFYSA-N 1 0 338.314 5.184 10 0 EKAERO CCC[NH2+][C@H](CCc1sccc1Br)c1ccccc1 ZINC000103947376 219331038 /nfs/dbraw/zinc/33/10/38/219331038.db2.gz GRMTYFCMFPUBCY-OAHLLOKOSA-N 1 0 338.314 5.184 10 0 EKAERO CC[C@H]([NH3+])c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949099 204090663 /nfs/dbraw/zinc/09/06/63/204090663.db2.gz GCRMUUIVTCTYAE-NSHDSACASA-N 1 0 330.678 5.241 10 0 EKAERO CC[C@@H]([NH3+])c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949101 219331713 /nfs/dbraw/zinc/33/17/13/219331713.db2.gz GCRMUUIVTCTYAE-LLVKDONJSA-N 1 0 330.678 5.241 10 0 EKAERO CCC[NH2+]Cc1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103950715 204090209 /nfs/dbraw/zinc/09/02/09/204090209.db2.gz FAMGYTQIMJDSOT-UHFFFAOYSA-N 1 0 344.705 5.331 10 0 EKAERO CCC[C@H]([NH2+]C)c1ccc(-c2ccc(C)c(Br)c2)s1 ZINC000103952430 219331744 /nfs/dbraw/zinc/33/17/44/219331744.db2.gz NQTHUMVPHMSBGA-AWEZNQCLSA-N 1 0 338.314 5.547 10 0 EKAERO CCC[C@@H]([NH2+]C)c1ccc(-c2ccc(C)c(Br)c2)s1 ZINC000103952434 219331945 /nfs/dbraw/zinc/33/19/45/219331945.db2.gz NQTHUMVPHMSBGA-CQSZACIVSA-N 1 0 338.314 5.547 10 0 EKAERO C[C@]([NH3+])(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1Cl ZINC000103953128 219332423 /nfs/dbraw/zinc/33/24/23/219332423.db2.gz YMZVWIMCWQKXBI-ZDUSSCGKSA-N 1 0 338.662 5.264 10 0 EKAERO CCCC[C@@H](CC)COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000103967769 219334302 /nfs/dbraw/zinc/33/43/02/219334302.db2.gz UAGFHGLSWILYPX-CHWSQXEVSA-N 1 0 328.294 5.064 10 0 EKAERO CCC1CCC(C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000103971471 204091095 /nfs/dbraw/zinc/09/10/95/204091095.db2.gz YGXHLNVIIRIYAH-HIFPTAJRSA-N 1 0 330.335 5.378 10 0 EKAERO C[C@@H]([NH2+]CCC1CCCCC1)c1ccc(F)c(Br)c1 ZINC000103978345 219335079 /nfs/dbraw/zinc/33/50/79/219335079.db2.gz ZIUZTCRGYOVKJQ-GFCCVEGCSA-N 1 0 328.269 5.209 10 0 EKAERO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000103979150 219335090 /nfs/dbraw/zinc/33/50/90/219335090.db2.gz UOWVHHSBYBMEDL-JTQLQIEISA-N 1 0 344.705 5.357 10 0 EKAERO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000103979156 204091736 /nfs/dbraw/zinc/09/17/36/204091736.db2.gz UOWVHHSBYBMEDL-SNVBAGLBSA-N 1 0 344.705 5.357 10 0 EKAERO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1sccc1Br ZINC000103985291 219336023 /nfs/dbraw/zinc/33/60/23/219336023.db2.gz JCBUIJCGXQENNX-GFCCVEGCSA-N 1 0 338.314 5.139 10 0 EKAERO [NH3+]Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000103987756 219336343 /nfs/dbraw/zinc/33/63/43/219336343.db2.gz RMEAYOKNMVXVTO-UHFFFAOYSA-N 1 0 337.033 5.551 10 0 EKAERO CCC1CCC([NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000103988917 219335755 /nfs/dbraw/zinc/33/57/55/219335755.db2.gz HCQNQMREUKTTDM-DCBWTQNWSA-N 1 0 328.269 5.208 10 0 EKAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2Br)c(Cl)c1 ZINC000103991115 219336036 /nfs/dbraw/zinc/33/60/36/219336036.db2.gz HZFUMAOEHFDHCC-UHFFFAOYSA-N 1 0 347.039 5.007 10 0 EKAERO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000103992089 219337317 /nfs/dbraw/zinc/33/73/17/219337317.db2.gz VVRDHIJKENBYEP-UHFFFAOYSA-N 1 0 338.314 5.098 10 0 EKAERO CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CCCCC1 ZINC000103992460 219337032 /nfs/dbraw/zinc/33/70/32/219337032.db2.gz DACMEVNVOPRIRC-MRXNPFEDSA-N 1 0 328.269 5.037 10 0 EKAERO [NH3+]Cc1ccc(Cl)cc1Oc1ccc(Br)cc1Cl ZINC000103992770 219337145 /nfs/dbraw/zinc/33/71/45/219337145.db2.gz GWXVGZGRLJMQAP-UHFFFAOYSA-N 1 0 347.039 5.007 10 0 EKAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1cc(Cl)sc1Cl ZINC000103998066 219336964 /nfs/dbraw/zinc/33/69/64/219336964.db2.gz ZVKOBVLZBVBNAQ-GFCCVEGCSA-N 1 0 334.699 5.602 10 0 EKAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(Br)cc1Cl ZINC000103998203 219336800 /nfs/dbraw/zinc/33/68/00/219336800.db2.gz GSFIINSVUPRWQO-HNNXBMFYSA-N 1 0 342.664 5.011 10 0 EKAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Br)cc1Cl ZINC000103998206 219336984 /nfs/dbraw/zinc/33/69/84/219336984.db2.gz GSFIINSVUPRWQO-OAHLLOKOSA-N 1 0 342.664 5.011 10 0 EKAERO CCCCC1CCC(C[NH3+])(Cc2ccc(Br)s2)CC1 ZINC000103999354 219336794 /nfs/dbraw/zinc/33/67/94/219336794.db2.gz UGUJDVRGFAKMCU-UHFFFAOYSA-N 1 0 344.362 5.379 10 0 EKAERO CC[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccc(C)c(Cl)c1 ZINC000103999554 219337398 /nfs/dbraw/zinc/33/73/98/219337398.db2.gz SAZBJCKERCXEPF-ZDUSSCGKSA-N 1 0 334.699 5.716 10 0 EKAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(C)c(Cl)c1 ZINC000103999558 219337324 /nfs/dbraw/zinc/33/73/24/219337324.db2.gz SAZBJCKERCXEPF-CYBMUJFWSA-N 1 0 334.699 5.716 10 0 EKAERO CCC[NH2+]C[C@@H](Cc1cccc(Br)c1)C[C@@H](C)CC ZINC000104002247 206482177 /nfs/dbraw/zinc/48/21/77/206482177.db2.gz JOSJYBLRZDQZNL-GOEBONIOSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[NH2+]C[C@@H](Cc1cccc(Br)c1)C[C@H](C)CC ZINC000104002253 219337010 /nfs/dbraw/zinc/33/70/10/219337010.db2.gz JOSJYBLRZDQZNL-GDBMZVCRSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[NH2+]C[C@H](Cc1cccc(Br)c1)C[C@H](C)CC ZINC000104002257 219336775 /nfs/dbraw/zinc/33/67/75/219336775.db2.gz JOSJYBLRZDQZNL-ZBFHGGJFSA-N 1 0 326.322 5.044 10 0 EKAERO CC(C)(C)C1CCC(C[NH3+])(Cc2cc(Br)cs2)CC1 ZINC000104002271 219337393 /nfs/dbraw/zinc/33/73/93/219337393.db2.gz ZLRIBOTVPRJISU-UHFFFAOYSA-N 1 0 344.362 5.235 10 0 EKAERO CCC[NH2+]CC1(Cc2sccc2Br)CCCCC1 ZINC000104002336 204091756 /nfs/dbraw/zinc/09/17/56/204091756.db2.gz ZWAYKRVBOOSPHD-UHFFFAOYSA-N 1 0 330.335 5.003 10 0 EKAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(Br)cc1Cl ZINC000104002625 219337448 /nfs/dbraw/zinc/33/74/48/219337448.db2.gz QOLKTSLUABCSRQ-HNNXBMFYSA-N 1 0 328.681 5.254 10 0 EKAERO CC[C@H]([NH2+]Cc1ccc(F)cc1Br)C1CCCCC1 ZINC000104003282 219336979 /nfs/dbraw/zinc/33/69/79/219336979.db2.gz SJEZQTALROEXRH-INIZCTEOSA-N 1 0 328.269 5.037 10 0 EKAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1Br)C1CCCCC1 ZINC000104003284 219336920 /nfs/dbraw/zinc/33/69/20/219336920.db2.gz SJEZQTALROEXRH-MRXNPFEDSA-N 1 0 328.269 5.037 10 0 EKAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000104003736 219337822 /nfs/dbraw/zinc/33/78/22/219337822.db2.gz PGLXSPAYPYATAH-AWEZNQCLSA-N 1 0 335.061 5.543 10 0 EKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000104003740 219337879 /nfs/dbraw/zinc/33/78/79/219337879.db2.gz PGLXSPAYPYATAH-CQSZACIVSA-N 1 0 335.061 5.543 10 0 EKAERO CCC[C@](C)(C[NH2+]C(C)(C)C)Cc1cccc(Br)c1 ZINC000104004918 219338066 /nfs/dbraw/zinc/33/80/66/219338066.db2.gz VPOBTYBMVOSOIA-KRWDZBQOSA-N 1 0 326.322 5.186 10 0 EKAERO CCCC[C@](CC)(C[NH2+]CC)Cc1ccc(Br)cc1 ZINC000104004927 219338325 /nfs/dbraw/zinc/33/83/25/219338325.db2.gz OLRXLYUBTMMAQO-KRWDZBQOSA-N 1 0 326.322 5.188 10 0 EKAERO CC[NH2+][C@H](c1sccc1C)c1cc(Br)ccc1Cl ZINC000104005177 219338265 /nfs/dbraw/zinc/33/82/65/219338265.db2.gz NRWHIBNCBABBPJ-ZDUSSCGKSA-N 1 0 344.705 5.171 10 0 EKAERO CC[NH2+][C@@H](c1sccc1C)c1cc(Br)ccc1Cl ZINC000104005183 219337917 /nfs/dbraw/zinc/33/79/17/219337917.db2.gz NRWHIBNCBABBPJ-CYBMUJFWSA-N 1 0 344.705 5.171 10 0 EKAERO Clc1c(Cl)c(Cl)c(OCC[NH2+]C2CC2)c(Cl)c1Cl ZINC000104005377 219338194 /nfs/dbraw/zinc/33/81/94/219338194.db2.gz DJVAPHQJTWIXLC-UHFFFAOYSA-N 1 0 349.472 5.084 10 0 EKAERO CCC[C@@](C)(C[NH2+]C(C)(C)C)Cc1ccc(Br)s1 ZINC000104006230 219338318 /nfs/dbraw/zinc/33/83/18/219338318.db2.gz BNDQNRPFGXVMFI-OAHLLOKOSA-N 1 0 332.351 5.248 10 0 EKAERO CCCC[C@](CC)(C[NH2+]CCC)Cc1cc(Br)cs1 ZINC000104006245 219337789 /nfs/dbraw/zinc/33/77/89/219337789.db2.gz PZMHMZORXCMZNG-INIZCTEOSA-N 1 0 346.378 5.639 10 0 EKAERO CCCC[C@@](CC)(C[NH2+]CCC)Cc1cc(Br)cs1 ZINC000104006249 219338413 /nfs/dbraw/zinc/33/84/13/219338413.db2.gz PZMHMZORXCMZNG-MRXNPFEDSA-N 1 0 346.378 5.639 10 0 EKAERO C[NH2+][C@H](c1ccc(Br)s1)C1CCC(C(C)(C)C)CC1 ZINC000104006407 219337865 /nfs/dbraw/zinc/33/78/65/219337865.db2.gz FBFHZXLURVNGIZ-QOZQQMKHSA-N 1 0 344.362 5.624 10 0 EKAERO C[NH2+][C@@H](c1ccc(Br)s1)C1CCC(C(C)(C)C)CC1 ZINC000104006411 219337924 /nfs/dbraw/zinc/33/79/24/219337924.db2.gz FBFHZXLURVNGIZ-KOHJWAIASA-N 1 0 344.362 5.624 10 0 EKAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(Br)cc1C ZINC000104006469 219337884 /nfs/dbraw/zinc/33/78/84/219337884.db2.gz BWFKXKKOLHODPJ-HNNXBMFYSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(Br)cc1C ZINC000104006471 219338212 /nfs/dbraw/zinc/33/82/12/219338212.db2.gz BWFKXKKOLHODPJ-OAHLLOKOSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[C@](C)(C[NH2+]CC(C)C)Cc1cccc(Br)c1 ZINC000104007545 219338409 /nfs/dbraw/zinc/33/84/09/219338409.db2.gz ZBHAPXBGFSFGNO-KRWDZBQOSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1cccc(Br)c1 ZINC000104007548 219338117 /nfs/dbraw/zinc/33/81/17/219338117.db2.gz ZBHAPXBGFSFGNO-QGZVFWFLSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(Br)s1 ZINC000104009085 219338454 /nfs/dbraw/zinc/33/84/54/219338454.db2.gz PZURKTSZJZFVIL-HNNXBMFYSA-N 1 0 332.351 5.105 10 0 EKAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1ccc(Br)s1 ZINC000104009088 219338131 /nfs/dbraw/zinc/33/81/31/219338131.db2.gz PZURKTSZJZFVIL-OAHLLOKOSA-N 1 0 332.351 5.105 10 0 EKAERO CCCC[C@](CC)(C[NH2+]C(C)C)Cc1sccc1Br ZINC000104009119 219337681 /nfs/dbraw/zinc/33/76/81/219337681.db2.gz UGWRXTUTUIEYDO-INIZCTEOSA-N 1 0 346.378 5.638 10 0 EKAERO CCCC[C@@](CC)(C[NH2+]C(C)C)Cc1sccc1Br ZINC000104009122 219338272 /nfs/dbraw/zinc/33/82/72/219338272.db2.gz UGWRXTUTUIEYDO-MRXNPFEDSA-N 1 0 346.378 5.638 10 0 EKAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)c1ccc(Br)s1 ZINC000104009288 219337856 /nfs/dbraw/zinc/33/78/56/219337856.db2.gz ZHAWEQURMRQUNH-AWEZNQCLSA-N 1 0 338.314 5.021 10 0 EKAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)c1ccc(Br)s1 ZINC000104009293 219338332 /nfs/dbraw/zinc/33/83/32/219338332.db2.gz ZHAWEQURMRQUNH-CQSZACIVSA-N 1 0 338.314 5.021 10 0 EKAERO CC(C)(C)[NH2+]CC1(Cc2ccc(Br)s2)CCCCC1 ZINC000104010658 219338713 /nfs/dbraw/zinc/33/87/13/219338713.db2.gz CLDWJHSTUQUPEM-UHFFFAOYSA-N 1 0 344.362 5.392 10 0 EKAERO CCC(CC)(C[NH2+]C(C)(C)C)Cc1cc(Br)cs1 ZINC000104010799 204093480 /nfs/dbraw/zinc/09/34/80/204093480.db2.gz OQHNSYBSNHBFMG-UHFFFAOYSA-N 1 0 332.351 5.248 10 0 EKAERO CC(C)C[C@H](C[NH2+]C(C)(C)C)Cc1ccc(Br)s1 ZINC000104012198 204092971 /nfs/dbraw/zinc/09/29/71/204092971.db2.gz JBZGUPJQXSBKOI-LBPRGKRZSA-N 1 0 332.351 5.104 10 0 EKAERO CC(C)C[C@@H](C[NH2+]C(C)(C)C)Cc1ccc(Br)s1 ZINC000104012202 219339526 /nfs/dbraw/zinc/33/95/26/219339526.db2.gz JBZGUPJQXSBKOI-GFCCVEGCSA-N 1 0 332.351 5.104 10 0 EKAERO CCC(CC)(C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000104012570 219338693 /nfs/dbraw/zinc/33/86/93/219338693.db2.gz PQTZPEJKBKHNQW-UHFFFAOYSA-N 1 0 326.322 5.186 10 0 EKAERO CCC[NH2+][C@@H](c1ccc(CC)s1)c1cc(Cl)sc1Cl ZINC000104012663 219339184 /nfs/dbraw/zinc/33/91/84/219339184.db2.gz RZPGLNQWDUWKSH-CYBMUJFWSA-N 1 0 334.337 5.768 10 0 EKAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1cc(Cl)sc1Cl ZINC000104012670 219339414 /nfs/dbraw/zinc/33/94/14/219339414.db2.gz RZPGLNQWDUWKSH-ZDUSSCGKSA-N 1 0 334.337 5.768 10 0 EKAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000104012767 219339150 /nfs/dbraw/zinc/33/91/50/219339150.db2.gz KUDFPLYBRJUTBT-LBPRGKRZSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000104012772 219339345 /nfs/dbraw/zinc/33/93/45/219339345.db2.gz KUDFPLYBRJUTBT-GFCCVEGCSA-N 1 0 344.705 5.057 10 0 EKAERO C[NH2+][C@@H](c1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000104012792 219338762 /nfs/dbraw/zinc/33/87/62/219338762.db2.gz ZJTKRPVNSZIIJC-AWEZNQCLSA-N 1 0 345.067 5.065 10 0 EKAERO C[NH2+][C@H](c1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000104012797 219339086 /nfs/dbraw/zinc/33/90/86/219339086.db2.gz ZJTKRPVNSZIIJC-CQSZACIVSA-N 1 0 345.067 5.065 10 0 EKAERO CCC(CC)(C[NH2+]CC(C)C)Cc1cc(Br)cs1 ZINC000104014452 204093833 /nfs/dbraw/zinc/09/38/33/204093833.db2.gz QKIIRYAGJNNELW-UHFFFAOYSA-N 1 0 332.351 5.105 10 0 EKAERO CC[NH2+][C@@H](c1ccc(Br)s1)C(C)(C)c1ccccc1 ZINC000104014562 219339113 /nfs/dbraw/zinc/33/91/13/219339113.db2.gz BBAHSFCEWMBFAR-HNNXBMFYSA-N 1 0 338.314 5.139 10 0 EKAERO CC[NH2+][C@H](c1ccc(Br)s1)C(C)(C)c1ccccc1 ZINC000104014566 206481669 /nfs/dbraw/zinc/48/16/69/206481669.db2.gz BBAHSFCEWMBFAR-OAHLLOKOSA-N 1 0 338.314 5.139 10 0 EKAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(Br)c(F)c1 ZINC000104014626 219339334 /nfs/dbraw/zinc/33/93/34/219339334.db2.gz AJISLQNKCVDWDH-AWEZNQCLSA-N 1 0 342.277 5.047 10 0 EKAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(Br)c(F)c1 ZINC000104014631 219339460 /nfs/dbraw/zinc/33/94/60/219339460.db2.gz AJISLQNKCVDWDH-CQSZACIVSA-N 1 0 342.277 5.047 10 0 EKAERO C[NH2+][C@H](c1cc2ccccc2s1)c1cc(Cl)sc1Cl ZINC000104016121 219339055 /nfs/dbraw/zinc/33/90/55/219339055.db2.gz KULMBIUJYVUFGN-ZDUSSCGKSA-N 1 0 328.289 5.578 10 0 EKAERO CCC(CC)(C[NH2+]CC(C)C)Cc1ccc(Br)cc1 ZINC000104016177 219339230 /nfs/dbraw/zinc/33/92/30/219339230.db2.gz QQRAOWKXTQFQAJ-UHFFFAOYSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)c1ccc(Br)s1 ZINC000104016307 206482499 /nfs/dbraw/zinc/48/24/99/206482499.db2.gz WBPYIEOGTRUKKG-AWEZNQCLSA-N 1 0 338.314 5.102 10 0 EKAERO CCC[NH2+][C@H](Cc1cccc(C)c1)c1ccc(Br)s1 ZINC000104016313 219339102 /nfs/dbraw/zinc/33/91/02/219339102.db2.gz WBPYIEOGTRUKKG-CQSZACIVSA-N 1 0 338.314 5.102 10 0 EKAERO CC[C@@H](C)C[C@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000104017919 219338698 /nfs/dbraw/zinc/33/86/98/219338698.db2.gz UJNYVUNRWLQIKF-CABCVRRESA-N 1 0 326.322 5.042 10 0 EKAERO CC[C@H](C)C[C@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000104017927 219338962 /nfs/dbraw/zinc/33/89/62/219338962.db2.gz UJNYVUNRWLQIKF-GJZGRUSLSA-N 1 0 326.322 5.042 10 0 EKAERO CC[C@@H](C)C[C@@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000104017932 219339494 /nfs/dbraw/zinc/33/94/94/219339494.db2.gz UJNYVUNRWLQIKF-HUUCEWRRSA-N 1 0 326.322 5.042 10 0 EKAERO CC[C@H](C)C[C@@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000104017938 219339428 /nfs/dbraw/zinc/33/94/28/219339428.db2.gz UJNYVUNRWLQIKF-LSDHHAIUSA-N 1 0 326.322 5.042 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])C1CCCCCC1 ZINC000104017971 219339277 /nfs/dbraw/zinc/33/92/77/219339277.db2.gz RJVFPXSVKSUBIB-CQSZACIVSA-N 1 0 346.696 5.081 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1CCCCCC1 ZINC000104017977 219339240 /nfs/dbraw/zinc/33/92/40/219339240.db2.gz RJVFPXSVKSUBIB-AWEZNQCLSA-N 1 0 346.696 5.081 10 0 EKAERO CCC[NH2+]C[C@@H](Cc1ccc(Br)cc1)C[C@@H](C)CC ZINC000104019842 219338783 /nfs/dbraw/zinc/33/87/83/219338783.db2.gz URWMSYFTYTXXQA-GOEBONIOSA-N 1 0 326.322 5.044 10 0 EKAERO CCC[NH2+]C[C@H](Cc1ccc(Br)cc1)C[C@H](C)CC ZINC000104019862 219339116 /nfs/dbraw/zinc/33/91/16/219339116.db2.gz URWMSYFTYTXXQA-ZBFHGGJFSA-N 1 0 326.322 5.044 10 0 EKAERO CC[C@@H](C)C[C@H](C[NH2+]C(C)C)Cc1ccc(Br)cc1 ZINC000104019869 219338924 /nfs/dbraw/zinc/33/89/24/219338924.db2.gz DWVGSFGNMKPRFJ-ZBFHGGJFSA-N 1 0 326.322 5.042 10 0 EKAERO CC[C@@H](C)C[C@@H](C[NH2+]C(C)C)Cc1ccc(Br)cc1 ZINC000104019882 219339098 /nfs/dbraw/zinc/33/90/98/219339098.db2.gz DWVGSFGNMKPRFJ-GDBMZVCRSA-N 1 0 326.322 5.042 10 0 EKAERO CCCC[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000104019896 219339332 /nfs/dbraw/zinc/33/93/32/219339332.db2.gz RETPCTBAAQGXKR-AWEZNQCLSA-N 1 0 326.322 5.186 10 0 EKAERO CCCC[C@@H](C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000104019901 219339248 /nfs/dbraw/zinc/33/92/48/219339248.db2.gz RETPCTBAAQGXKR-CQSZACIVSA-N 1 0 326.322 5.186 10 0 EKAERO C[NH2+]Cc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cs1 ZINC000104025911 219340097 /nfs/dbraw/zinc/34/00/97/219340097.db2.gz GDCBACGUQBIBGQ-UHFFFAOYSA-N 1 0 341.090 5.748 10 0 EKAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000104044035 219342303 /nfs/dbraw/zinc/34/23/03/219342303.db2.gz AINOGENFPHAEEV-JTQLQIEISA-N 1 0 344.705 5.057 10 0 EKAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000104044040 219342961 /nfs/dbraw/zinc/34/29/61/219342961.db2.gz AINOGENFPHAEEV-SNVBAGLBSA-N 1 0 344.705 5.057 10 0 EKAERO [NH3+]Cc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1F ZINC000104046105 206484337 /nfs/dbraw/zinc/48/43/37/206484337.db2.gz SKWJLSDJGAOTKU-UHFFFAOYSA-N 1 0 339.024 5.565 10 0 EKAERO CCCCC[C@H](C[NH2+]CCC)Cc1ccccc1Br ZINC000104163372 206485434 /nfs/dbraw/zinc/48/54/34/206485434.db2.gz NHXDCGOUINWGPE-HNNXBMFYSA-N 1 0 326.322 5.188 10 0 EKAERO CCCCC[C@@H](C[NH2+]CCC)Cc1ccccc1Br ZINC000104163376 219355040 /nfs/dbraw/zinc/35/50/40/219355040.db2.gz NHXDCGOUINWGPE-OAHLLOKOSA-N 1 0 326.322 5.188 10 0 EKAERO CC[C@H]([NH3+])[C@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000104168381 219354476 /nfs/dbraw/zinc/35/44/76/219354476.db2.gz ZLFBIEBNLJZCDH-FZMZJTMJSA-N 1 0 332.321 5.626 10 0 EKAERO CC[C@@H]([NH3+])[C@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000104168384 219354638 /nfs/dbraw/zinc/35/46/38/219354638.db2.gz ZLFBIEBNLJZCDH-RISCZKNCSA-N 1 0 332.321 5.626 10 0 EKAERO CC[C@H]([NH3+])[C@@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000104168386 219354303 /nfs/dbraw/zinc/35/43/03/219354303.db2.gz ZLFBIEBNLJZCDH-SMDDNHRTSA-N 1 0 332.321 5.626 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000104168388 219354541 /nfs/dbraw/zinc/35/45/41/219354541.db2.gz ZLFBIEBNLJZCDH-BXUZGUMPSA-N 1 0 332.321 5.626 10 0 EKAERO Cc1ccc(C)c(Sc2ccc([C@H](C)[NH3+])cc2Br)c1 ZINC000104169680 219354229 /nfs/dbraw/zinc/35/42/29/219354229.db2.gz ZNZQVIVRKIMLOE-LBPRGKRZSA-N 1 0 336.298 5.237 10 0 EKAERO Cc1ccc(Cl)c(Oc2ccc([C@H](C)[NH3+])cc2Br)c1 ZINC000104174806 219355642 /nfs/dbraw/zinc/35/56/42/219355642.db2.gz HRCMLVBJQLRQCV-JTQLQIEISA-N 1 0 340.648 5.223 10 0 EKAERO CC[C@H]([NH3+])[C@H](SC1CCCCC1)c1cc(Br)cs1 ZINC000104175908 219355848 /nfs/dbraw/zinc/35/58/48/219355848.db2.gz CALZOVAMOWASAW-JSGCOSHPSA-N 1 0 348.375 5.355 10 0 EKAERO CC[C@@H]([NH3+])[C@H](SC1CCCCC1)c1cc(Br)cs1 ZINC000104175911 204097991 /nfs/dbraw/zinc/09/79/91/204097991.db2.gz CALZOVAMOWASAW-OCCSQVGLSA-N 1 0 348.375 5.355 10 0 EKAERO CC[C@H]([NH3+])[C@@H](SC1CCCCC1)c1cc(Br)cs1 ZINC000104175913 219356124 /nfs/dbraw/zinc/35/61/24/219356124.db2.gz CALZOVAMOWASAW-GXTWGEPZSA-N 1 0 348.375 5.355 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](SC1CCCCC1)c1cc(Br)cs1 ZINC000104175917 204099115 /nfs/dbraw/zinc/09/91/15/204099115.db2.gz CALZOVAMOWASAW-TZMCWYRMSA-N 1 0 348.375 5.355 10 0 EKAERO NC(=[NH2+])c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000104175937 219355946 /nfs/dbraw/zinc/35/59/46/219355946.db2.gz WZPMDBSZIJLROG-UHFFFAOYSA-N 1 0 331.655 5.082 10 0 EKAERO C[C@H]([NH3+])c1ccc(Sc2cccc(Cl)c2)c(Br)c1 ZINC000104176006 219355667 /nfs/dbraw/zinc/35/56/67/219355667.db2.gz OFTSFWBALNNVAH-VIFPVBQESA-N 1 0 342.689 5.273 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Sc2cccc(Cl)c2)c(Br)c1 ZINC000104176010 219356092 /nfs/dbraw/zinc/35/60/92/219356092.db2.gz OFTSFWBALNNVAH-SECBINFHSA-N 1 0 342.689 5.273 10 0 EKAERO C[NH2+][C@H](C)c1ccc(S[C@H]2CCC[C@@H](C)C2)c(Br)c1 ZINC000104177308 219356130 /nfs/dbraw/zinc/35/61/30/219356130.db2.gz MHFFMBFMRJWILC-BZPMIXESSA-N 1 0 342.346 5.400 10 0 EKAERO C[NH2+][C@H](C)c1ccc(S[C@@H]2CCC[C@@H](C)C2)c(Br)c1 ZINC000104177314 219355644 /nfs/dbraw/zinc/35/56/44/219355644.db2.gz MHFFMBFMRJWILC-YRGRVCCFSA-N 1 0 342.346 5.400 10 0 EKAERO CC[NH2+][C@@H](Cc1ccsc1)c1ccc(Br)cc1Cl ZINC000104178360 219355309 /nfs/dbraw/zinc/35/53/09/219355309.db2.gz AMSYENIYIKSNJW-AWEZNQCLSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccsc1)c1ccc(Br)cc1Cl ZINC000104178364 219355688 /nfs/dbraw/zinc/35/56/88/219355688.db2.gz AMSYENIYIKSNJW-CQSZACIVSA-N 1 0 344.705 5.057 10 0 EKAERO C[C@@H]([NH3+])[C@@H](S[C@@H]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000104179832 219356097 /nfs/dbraw/zinc/35/60/97/219356097.db2.gz QILJGCIXHRNVGV-CZPYZCIJSA-N 1 0 342.346 5.149 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(Sc2cccc(Br)c2)c(F)c1 ZINC000104179925 219356091 /nfs/dbraw/zinc/35/60/91/219356091.db2.gz DQJIUZGSLLVDQL-JTQLQIEISA-N 1 0 340.261 5.020 10 0 EKAERO C[NH2+][C@H](C)c1ccc(Sc2cccc(Br)c2)c(F)c1 ZINC000104179927 219355996 /nfs/dbraw/zinc/35/59/96/219355996.db2.gz DQJIUZGSLLVDQL-SNVBAGLBSA-N 1 0 340.261 5.020 10 0 EKAERO C[NH2+][C@@H](C)c1c(F)cccc1Sc1cccc(Br)c1 ZINC000104179931 219355883 /nfs/dbraw/zinc/35/58/83/219355883.db2.gz SCMSXTGVBFCXAJ-JTQLQIEISA-N 1 0 340.261 5.020 10 0 EKAERO C[NH2+][C@H](C)c1c(F)cccc1Sc1cccc(Br)c1 ZINC000104179933 219355591 /nfs/dbraw/zinc/35/55/91/219355591.db2.gz SCMSXTGVBFCXAJ-SNVBAGLBSA-N 1 0 340.261 5.020 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1 ZINC000104181824 219356063 /nfs/dbraw/zinc/35/60/63/219356063.db2.gz HHTJKJCJLIEGMN-JTQLQIEISA-N 1 0 340.648 5.175 10 0 EKAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1 ZINC000104181826 219355631 /nfs/dbraw/zinc/35/56/31/219355631.db2.gz HHTJKJCJLIEGMN-SNVBAGLBSA-N 1 0 340.648 5.175 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1 ZINC000104181828 219355601 /nfs/dbraw/zinc/35/56/01/219355601.db2.gz KKPQIBIRXODHKY-JTQLQIEISA-N 1 0 340.648 5.175 10 0 EKAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1 ZINC000104181829 219355561 /nfs/dbraw/zinc/35/55/61/219355561.db2.gz KKPQIBIRXODHKY-SNVBAGLBSA-N 1 0 340.648 5.175 10 0 EKAERO CCC[NH2+][C@@H](C)c1ccc(SC(C)(C)C)c(Br)c1 ZINC000104181842 219356104 /nfs/dbraw/zinc/35/61/04/219356104.db2.gz JDHKSEVHDAEDPK-NSHDSACASA-N 1 0 330.335 5.400 10 0 EKAERO CCC[NH2+][C@H](C)c1ccc(SC(C)(C)C)c(Br)c1 ZINC000104181844 219355625 /nfs/dbraw/zinc/35/56/25/219355625.db2.gz JDHKSEVHDAEDPK-LLVKDONJSA-N 1 0 330.335 5.400 10 0 EKAERO CC[C@H]([NH3+])[C@H](SCC1CCCC1)c1cc(Br)cs1 ZINC000104182654 204100851 /nfs/dbraw/zinc/10/08/51/204100851.db2.gz WGFZHKJBKNHWCF-JSGCOSHPSA-N 1 0 348.375 5.212 10 0 EKAERO CC[C@@H]([NH3+])[C@H](SCC1CCCC1)c1cc(Br)cs1 ZINC000104182656 219357176 /nfs/dbraw/zinc/35/71/76/219357176.db2.gz WGFZHKJBKNHWCF-OCCSQVGLSA-N 1 0 348.375 5.212 10 0 EKAERO CC[C@H]([NH3+])[C@@H](SCC1CCCC1)c1cc(Br)cs1 ZINC000104182659 219356981 /nfs/dbraw/zinc/35/69/81/219356981.db2.gz WGFZHKJBKNHWCF-GXTWGEPZSA-N 1 0 348.375 5.212 10 0 EKAERO CC[C@@H]([NH3+])[C@@H](SCC1CCCC1)c1cc(Br)cs1 ZINC000104182661 219357095 /nfs/dbraw/zinc/35/70/95/219357095.db2.gz WGFZHKJBKNHWCF-TZMCWYRMSA-N 1 0 348.375 5.212 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(Cl)cc2)c(Br)c1 ZINC000104182726 204100840 /nfs/dbraw/zinc/10/08/40/204100840.db2.gz ICCOKLXVTBTZQH-SECBINFHSA-N 1 0 342.689 5.273 10 0 EKAERO C[NH2+][C@H](C)c1ccc(Sc2ccc(C)cc2)c(Br)c1 ZINC000104182735 219357434 /nfs/dbraw/zinc/35/74/34/219357434.db2.gz MGSZGCOOFWEYRA-GFCCVEGCSA-N 1 0 336.298 5.189 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(Sc2ccc(C)cc2)c(Br)c1 ZINC000104182738 219357287 /nfs/dbraw/zinc/35/72/87/219357287.db2.gz MGSZGCOOFWEYRA-LBPRGKRZSA-N 1 0 336.298 5.189 10 0 EKAERO C[NH2+][C@@H](C)c1ccc(Oc2cccc(Cl)c2)c(Br)c1 ZINC000104183686 219357143 /nfs/dbraw/zinc/35/71/43/219357143.db2.gz LTWNLJZGDSUENO-JTQLQIEISA-N 1 0 340.648 5.175 10 0 EKAERO C[NH2+][C@H](C)c1ccc(Oc2cccc(Cl)c2)c(Br)c1 ZINC000104183688 219356435 /nfs/dbraw/zinc/35/64/35/219356435.db2.gz LTWNLJZGDSUENO-SNVBAGLBSA-N 1 0 340.648 5.175 10 0 EKAERO Cc1cc(Cl)ccc1Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104183695 219356741 /nfs/dbraw/zinc/35/67/41/219356741.db2.gz HTXNUXHAMMGWOL-SNVBAGLBSA-N 1 0 340.648 5.223 10 0 EKAERO Cc1cc(Cl)ccc1Oc1ccc([C@H](C)[NH3+])cc1Br ZINC000104183699 219356503 /nfs/dbraw/zinc/35/65/03/219356503.db2.gz HTXNUXHAMMGWOL-JTQLQIEISA-N 1 0 340.648 5.223 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000104184615 219356873 /nfs/dbraw/zinc/35/68/73/219356873.db2.gz NQSXAGYGNUVIFO-MRVPVSSYSA-N 1 0 332.683 5.818 10 0 EKAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Cl)c(Br)c1 ZINC000104185590 219356822 /nfs/dbraw/zinc/35/68/22/219356822.db2.gz HRLHIUUOFUSGSM-JTQLQIEISA-N 1 0 340.648 5.223 10 0 EKAERO CCCCCC[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104185595 219356319 /nfs/dbraw/zinc/35/63/19/219356319.db2.gz SVSOWRFVUADIRR-CHWSQXEVSA-N 1 0 328.294 5.207 10 0 EKAERO CCCCCC[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1Br ZINC000104185597 206487031 /nfs/dbraw/zinc/48/70/31/206487031.db2.gz SVSOWRFVUADIRR-QWHCGFSZSA-N 1 0 328.294 5.207 10 0 EKAERO CCCCCC[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1Br ZINC000104185598 219356907 /nfs/dbraw/zinc/35/69/07/219356907.db2.gz SVSOWRFVUADIRR-OLZOCXBDSA-N 1 0 328.294 5.207 10 0 EKAERO CCCCCC[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1Br ZINC000104185600 219356650 /nfs/dbraw/zinc/35/66/50/219356650.db2.gz SVSOWRFVUADIRR-STQMWFEESA-N 1 0 328.294 5.207 10 0 EKAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2Cl)c(Br)c1 ZINC000104185609 219357186 /nfs/dbraw/zinc/35/71/86/219357186.db2.gz WDIWVLILLBLZCK-VIFPVBQESA-N 1 0 342.689 5.273 10 0 EKAERO CCCCc1ccc([C@H]([NH2+]C)c2sccc2Br)cc1 ZINC000104284431 219369448 /nfs/dbraw/zinc/36/94/48/219369448.db2.gz DSDPHBDHVARMAK-HNNXBMFYSA-N 1 0 338.314 5.162 10 0 EKAERO CCCCc1ccc([C@@H]([NH2+]C)c2sccc2Br)cc1 ZINC000104284435 219369416 /nfs/dbraw/zinc/36/94/16/219369416.db2.gz DSDPHBDHVARMAK-OAHLLOKOSA-N 1 0 338.314 5.162 10 0 EKAERO CC[NH2+]Cc1ccc(Br)cc1Sc1cccc(C)c1 ZINC000104286368 219370406 /nfs/dbraw/zinc/37/04/06/219370406.db2.gz SLJFZGINDOJLEX-UHFFFAOYSA-N 1 0 336.298 5.018 10 0 EKAERO CC[C@@H]([NH3+])Cc1ccc(Br)cc1SC1CCCCC1 ZINC000104287850 219370325 /nfs/dbraw/zinc/37/03/25/219370325.db2.gz GKUOTHFANWDALR-CQSZACIVSA-N 1 0 342.346 5.154 10 0 EKAERO CC[NH2+][C@H](c1sccc1Br)c1c(C)cc(C)cc1C ZINC000104288095 219371072 /nfs/dbraw/zinc/37/10/72/219371072.db2.gz ZEEKBJOFXHHWDU-HNNXBMFYSA-N 1 0 338.314 5.135 10 0 EKAERO CC[NH2+][C@@H](c1sccc1Br)c1c(C)cc(C)cc1C ZINC000104288099 219370939 /nfs/dbraw/zinc/37/09/39/219370939.db2.gz ZEEKBJOFXHHWDU-OAHLLOKOSA-N 1 0 338.314 5.135 10 0 EKAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1sccc1Br ZINC000104289248 219370863 /nfs/dbraw/zinc/37/08/63/219370863.db2.gz VIHKPSGAISEZBA-CYBMUJFWSA-N 1 0 344.343 5.224 10 0 EKAERO CC[C@@H](C)Sc1cc(Br)ccc1C[NH2+]CC(C)C ZINC000104289635 219370437 /nfs/dbraw/zinc/37/04/37/219370437.db2.gz YDEWPSIUKMJCOQ-GFCCVEGCSA-N 1 0 330.335 5.085 10 0 EKAERO CC[C@H](C)Sc1cc(Br)ccc1C[NH2+]CC(C)C ZINC000104289639 204105225 /nfs/dbraw/zinc/10/52/25/204105225.db2.gz YDEWPSIUKMJCOQ-LBPRGKRZSA-N 1 0 330.335 5.085 10 0 EKAERO CCC[NH2+][C@H](c1sccc1Br)c1ccc(C)cc1C ZINC000104290350 219370734 /nfs/dbraw/zinc/37/07/34/219370734.db2.gz WUIGZXSLHFSGNQ-HNNXBMFYSA-N 1 0 338.314 5.216 10 0 EKAERO CCC[NH2+][C@@H](c1sccc1Br)c1ccc(C)cc1C ZINC000104290354 219371008 /nfs/dbraw/zinc/37/10/08/219371008.db2.gz WUIGZXSLHFSGNQ-OAHLLOKOSA-N 1 0 338.314 5.216 10 0 EKAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1sccc1Br ZINC000104292663 219370790 /nfs/dbraw/zinc/37/07/90/219370790.db2.gz ZYKXHQOQGFSNIT-ZDUSSCGKSA-N 1 0 344.705 5.057 10 0 EKAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1sccc1Br ZINC000104292667 219370331 /nfs/dbraw/zinc/37/03/31/219370331.db2.gz ZYKXHQOQGFSNIT-CYBMUJFWSA-N 1 0 344.705 5.057 10 0 EKAERO CC(C)(C)[NH2+]Cc1ccc(Br)cc1SC(C)(C)C ZINC000104293175 219370455 /nfs/dbraw/zinc/37/04/55/219370455.db2.gz JIKJFOOFDBIPSO-UHFFFAOYSA-N 1 0 330.335 5.228 10 0 EKAERO CCC[NH2+]Cc1ccc(Br)cc1Sc1ccccc1 ZINC000104293181 219370274 /nfs/dbraw/zinc/37/02/74/219370274.db2.gz BDXYLCYMANFKRR-UHFFFAOYSA-N 1 0 336.298 5.100 10 0 EKAERO CC(C)[NH2+]Cc1ccccc1Sc1ccc(Br)cc1 ZINC000104298358 219371546 /nfs/dbraw/zinc/37/15/46/219371546.db2.gz WJBJEYVDUJNHGH-UHFFFAOYSA-N 1 0 336.298 5.098 10 0 EKAERO CC(C)CSc1cc(Br)ccc1C[NH2+]C(C)(C)C ZINC000104299610 219371959 /nfs/dbraw/zinc/37/19/59/219371959.db2.gz HMLMRDWYELTQHP-UHFFFAOYSA-N 1 0 330.335 5.085 10 0 EKAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000104419026 219386116 /nfs/dbraw/zinc/38/61/16/219386116.db2.gz XELYANMFYAIHMI-QMMMGPOBSA-N 1 0 344.611 5.054 10 0 EKAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000104419028 219385774 /nfs/dbraw/zinc/38/57/74/219385774.db2.gz XELYANMFYAIHMI-MRVPVSSYSA-N 1 0 344.611 5.054 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000104438090 219387155 /nfs/dbraw/zinc/38/71/55/219387155.db2.gz FMVFAHQZGVMNAE-RNCFNFMXSA-N 1 0 348.712 5.183 10 0 EKAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000104438093 219387677 /nfs/dbraw/zinc/38/76/77/219387677.db2.gz FMVFAHQZGVMNAE-TVQRCGJNSA-N 1 0 348.712 5.183 10 0 EKAERO CCC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC000104447909 206492959 /nfs/dbraw/zinc/49/29/59/206492959.db2.gz GNIVOAJXKQXPBA-CJNGLKHVSA-N 1 0 326.322 5.562 10 0 EKAERO CCC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC000104447913 219387589 /nfs/dbraw/zinc/38/75/89/219387589.db2.gz GNIVOAJXKQXPBA-CZUORRHYSA-N 1 0 326.322 5.562 10 0 EKAERO CCC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC000104447916 219387274 /nfs/dbraw/zinc/38/72/74/219387274.db2.gz GNIVOAJXKQXPBA-BBRMVZONSA-N 1 0 326.322 5.562 10 0 EKAERO CCC[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC000104447919 219387134 /nfs/dbraw/zinc/38/71/34/219387134.db2.gz GNIVOAJXKQXPBA-XJKSGUPXSA-N 1 0 326.322 5.562 10 0 EKAERO CCCCC[C@H](C[NH2+]C(C)C)Cc1ccc(Br)cc1 ZINC000110188411 220023395 /nfs/dbraw/zinc/02/33/95/220023395.db2.gz BZMBSTFSGVEPLH-INIZCTEOSA-N 1 0 326.322 5.186 10 0 EKAERO CC1CCC(CC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000125701861 564114205 /nfs/dbraw/zinc/11/42/05/564114205.db2.gz IJPNGARMDKBXMW-UHFFFAOYSA-N 1 0 344.724 5.409 10 0 EKAERO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000138164251 564176258 /nfs/dbraw/zinc/17/62/58/564176258.db2.gz PHKJRAAXUGLWNF-UHFFFAOYSA-N 1 0 338.838 5.079 10 0 EKAERO C[NH2+][C@H](c1ccc(C)c(Br)c1)c1ccc2ccccc2c1 ZINC000163697945 533011208 /nfs/dbraw/zinc/01/12/08/533011208.db2.gz FAXLWNVMXLRDKC-IBGZPJMESA-N 1 0 340.264 5.220 10 0 EKAERO CC(C)c1ccc2oc(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250382 201037312 /nfs/dbraw/zinc/03/73/12/201037312.db2.gz VQSYXUOIASBCKI-UHFFFAOYSA-N 1 0 332.447 5.241 10 0 EKAERO CCCC[N@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250961 564117182 /nfs/dbraw/zinc/11/71/82/564117182.db2.gz BEZWJOBMWFBAOK-UHFFFAOYSA-N 1 0 332.447 5.384 10 0 EKAERO CCCC[N@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250994 201037617 /nfs/dbraw/zinc/03/76/17/201037617.db2.gz ZOSRFAFAZLEJPA-UHFFFAOYSA-N 1 0 325.239 5.024 10 0 EKAERO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(C)cc(C)c4o3)CC2)cc1 ZINC000226251203 564117222 /nfs/dbraw/zinc/11/72/22/564117222.db2.gz SDPZPAAFMSJCKP-UHFFFAOYSA-N 1 0 332.447 5.042 10 0 EKAERO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(C)c(C)cc4o3)CC2)cc1 ZINC000226251217 564117203 /nfs/dbraw/zinc/11/72/03/564117203.db2.gz LPWSVRRNSXRXNV-UHFFFAOYSA-N 1 0 332.447 5.042 10 0 EKAERO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(C(C)C)ccc4o3)CC2)cc1 ZINC000226251230 564117178 /nfs/dbraw/zinc/11/71/78/564117178.db2.gz BRVMIQNVOOULMO-UHFFFAOYSA-N 1 0 346.474 5.549 10 0 EKAERO CC(C)c1ccc2oc(-c3cc[n+](Cc4ccc(F)cc4)cc3)nc2c1 ZINC000226307498 242097023 /nfs/dbraw/zinc/09/70/23/242097023.db2.gz FFHKRSYYRDIMTA-UHFFFAOYSA-N 1 0 347.413 5.093 10 0 EKAERO CC(C)c1ccc2oc(-c3cc[n+](Cc4ccccc4F)cc3)nc2c1 ZINC000226307588 242095812 /nfs/dbraw/zinc/09/58/12/242095812.db2.gz NKARYRLLRBSSRT-UHFFFAOYSA-N 1 0 347.413 5.093 10 0 EKAERO CC(C)c1ccc2oc(-c3cc[n+](Cc4cccc(F)c4)cc3)nc2c1 ZINC000226307664 242095550 /nfs/dbraw/zinc/09/55/50/242095550.db2.gz IPFDXWJQLMDZMA-UHFFFAOYSA-N 1 0 347.413 5.093 10 0 EKAERO CC1CCC(CC[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000232815173 564177579 /nfs/dbraw/zinc/17/75/79/564177579.db2.gz LZLSBRMSLHNOOO-UHFFFAOYSA-N 1 0 344.724 5.409 10 0 EKAERO CC1CCC(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000232815842 564177562 /nfs/dbraw/zinc/17/75/62/564177562.db2.gz ACRVZISIRGXOSK-UHFFFAOYSA-N 1 0 344.724 5.409 10 0 EKAERO Cc1ccccc1/C=C\C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000352063288 258003727 /nfs/dbraw/zinc/00/37/27/258003727.db2.gz FJFLDQXXCJUUBR-XGCPISRHSA-N 1 0 335.491 5.014 10 0 EKAERO Cc1ccccc1/C=C\C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000352063289 258003582 /nfs/dbraw/zinc/00/35/82/258003582.db2.gz FJFLDQXXCJUUBR-XTVHYICTSA-N 1 0 335.491 5.014 10 0 EKAERO Clc1ccc(-c2ccccc2COCCC[NH+]2CCCCC2)cc1 ZINC000583652952 564078764 /nfs/dbraw/zinc/07/87/64/564078764.db2.gz KJBVYWAZCKPORD-UHFFFAOYSA-N 1 0 343.898 5.400 10 0 EKAERO Cc1cc(C[NH2+]CCC2CCC(F)(F)CC2)ccc1Br ZINC000725268951 563987557 /nfs/dbraw/zinc/98/75/57/563987557.db2.gz IFTGBKKFHJJCQC-UHFFFAOYSA-N 1 0 346.259 5.063 10 0 EKAERO