smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOCC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000049261898 520780291 /nfs/dbraw/zinc/78/02/91/520780291.db2.gz ARAUUOWFEAMAOG-OAHLLOKOSA-N 2 1 256.434 2.657 10 0 CFAEMP CC[N@@H+](CCOc1cccc(C[NH2+]C)c1)CC(C)C ZINC000052449696 521150262 /nfs/dbraw/zinc/15/02/62/521150262.db2.gz XTYDGAVUTZVBGU-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511181 521227990 /nfs/dbraw/zinc/22/79/90/521227990.db2.gz AWFFFBXPRFYGQK-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429393 521308022 /nfs/dbraw/zinc/30/80/22/521308022.db2.gz NLPHNDLERPUERQ-GFCCVEGCSA-N 2 1 277.412 2.593 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069429357 521309050 /nfs/dbraw/zinc/30/90/50/521309050.db2.gz QEXISMMDDFLXID-LBPRGKRZSA-N 2 1 277.412 2.593 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052573416 521562100 /nfs/dbraw/zinc/56/21/00/521562100.db2.gz LQSHCLJDCQGMBD-ZDUSSCGKSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[N@@H+](CC[C@H](C[NH3+])OCC)Cc1ccccc1 ZINC000062740933 521670532 /nfs/dbraw/zinc/67/05/32/521670532.db2.gz MCGCVRQMQWDQDM-MRXNPFEDSA-N 2 1 264.413 2.653 10 0 CFAEMP CC(C)C[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052182778 519714732 /nfs/dbraw/zinc/71/47/32/519714732.db2.gz FJHMMXSSLSKURF-UHFFFAOYSA-N 2 1 280.456 2.656 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346232 519723638 /nfs/dbraw/zinc/72/36/38/519723638.db2.gz MPZOFTJHGLWXIX-IRXDYDNUSA-N 2 1 294.414 2.803 10 0 CFAEMP CC(C)[NH2+]C[C@H](OCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000052672817 519724862 /nfs/dbraw/zinc/72/48/62/519724862.db2.gz LPVWBHGSRYAFSY-GJZGRUSLSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)C[NH2+]CCCC[N@@H+](C)CCc1ccccn1 ZINC000052423749 519743320 /nfs/dbraw/zinc/74/33/20/519743320.db2.gz VBALXGSNKDRYGI-UHFFFAOYSA-N 2 1 263.429 2.582 10 0 CFAEMP CC(C)C[NH2+]CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702278 519744110 /nfs/dbraw/zinc/74/41/10/519744110.db2.gz HLFVGXDYLVAGDG-QGZVFWFLSA-N 2 1 276.424 2.523 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012736 519746198 /nfs/dbraw/zinc/74/61/98/519746198.db2.gz OIPQHEWOMWVSFI-OAHLLOKOSA-N 2 1 264.388 2.893 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012736 519746200 /nfs/dbraw/zinc/74/62/00/519746200.db2.gz OIPQHEWOMWVSFI-OAHLLOKOSA-N 2 1 264.388 2.893 10 0 CFAEMP CC(C)[C@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181747 519811871 /nfs/dbraw/zinc/81/18/71/519811871.db2.gz LRXWPFIUDGOMIJ-AWEZNQCLSA-N 2 1 268.445 2.512 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424745 519936811 /nfs/dbraw/zinc/93/68/11/519936811.db2.gz RERCNGHSVROZJR-MSOLQXFVSA-N 2 1 290.451 2.974 10 0 CFAEMP CC[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382627 519985983 /nfs/dbraw/zinc/98/59/83/519985983.db2.gz MSTJOJAEAGFMCV-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382627 519985985 /nfs/dbraw/zinc/98/59/85/519985985.db2.gz MSTJOJAEAGFMCV-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)CC(C)C)c1 ZINC000052452660 520005796 /nfs/dbraw/zinc/00/57/96/520005796.db2.gz DELQPKBGGIIWKK-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382406 520029503 /nfs/dbraw/zinc/02/95/03/520029503.db2.gz WHJQBIRFYCSQKN-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382406 520029510 /nfs/dbraw/zinc/02/95/10/520029510.db2.gz WHJQBIRFYCSQKN-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CCCCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045423291 520166816 /nfs/dbraw/zinc/16/68/16/520166816.db2.gz VDWBFJXORFPGLV-KRWDZBQOSA-N 2 1 299.503 2.909 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953634 520285644 /nfs/dbraw/zinc/28/56/44/520285644.db2.gz ONEMLIISPRXDAX-INIZCTEOSA-N 2 1 268.445 2.657 10 0 CFAEMP CC1(C)CC[NH+](CCc2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000061818262 520377072 /nfs/dbraw/zinc/37/70/72/520377072.db2.gz JWENPJSYPNXZNV-UHFFFAOYSA-N 2 1 272.396 2.810 10 0 CFAEMP CC1(C)C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052481877 520480032 /nfs/dbraw/zinc/48/00/32/520480032.db2.gz IEMKMVIATBBRMQ-UHFFFAOYSA-N 2 1 274.408 2.549 10 0 CFAEMP CC[N@@H+](CC1CC1)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000069239987 520957853 /nfs/dbraw/zinc/95/78/53/520957853.db2.gz ZFARBRIUVAPGKV-UHFFFAOYSA-N 2 1 282.472 2.761 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239991 520957987 /nfs/dbraw/zinc/95/79/87/520957987.db2.gz KWWPFRWLWPAESL-KRWDZBQOSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[N@H+](CC1CC1)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000069237092 520967973 /nfs/dbraw/zinc/96/79/73/520967973.db2.gz JRPZOCGKBHWQKP-MLGOLLRUSA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@@H+](CC1CC1)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000069237092 520967980 /nfs/dbraw/zinc/96/79/80/520967980.db2.gz JRPZOCGKBHWQKP-MLGOLLRUSA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@H+](CC[C@@H]([NH3+])c1ccc(F)cc1)CC1CC1 ZINC000069239901 521155012 /nfs/dbraw/zinc/15/50/12/521155012.db2.gz JUQJPOCTNKSNPA-OAHLLOKOSA-N 2 1 250.361 2.948 10 0 CFAEMP CC[N@@H+](CC[C@@H]([NH3+])c1ccc(F)cc1)CC1CC1 ZINC000069239901 521155020 /nfs/dbraw/zinc/15/50/20/521155020.db2.gz JUQJPOCTNKSNPA-OAHLLOKOSA-N 2 1 250.361 2.948 10 0 CFAEMP CCCC[C@](CC)(CN)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000069381127 521253487 /nfs/dbraw/zinc/25/34/87/521253487.db2.gz GPYHTFUXCBSSIJ-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181209 521605396 /nfs/dbraw/zinc/60/53/96/521605396.db2.gz OVEIWQHYZFVWGU-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000049220604 521627489 /nfs/dbraw/zinc/62/74/89/521627489.db2.gz ZXKMVRKPBGWAQR-SNVBAGLBSA-N 2 1 278.787 2.929 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052444140 522062365 /nfs/dbraw/zinc/06/23/65/522062365.db2.gz HIYQFHKUIVUPIO-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+](C)C2CCCCCC2)on1 ZINC000052482053 522104340 /nfs/dbraw/zinc/10/43/40/522104340.db2.gz DSLUNGFIVJTFCY-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CC[C@@H](C)N1CC[NH+]([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074350 522128615 /nfs/dbraw/zinc/12/86/15/522128615.db2.gz IMGRHKNHNHVSOH-CVEARBPZSA-N 2 1 269.477 2.569 10 0 CFAEMP CC[C@H](C[NH2+]C(C)C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416945 522190989 /nfs/dbraw/zinc/19/09/89/522190989.db2.gz ZRYZTXNTYLAOAJ-QZTJIDSGSA-N 2 1 289.467 2.752 10 0 CFAEMP CC[C@H]([NH2+]C)c1ccccc1OCCn1cc[nH+]c1C ZINC000049329451 522555850 /nfs/dbraw/zinc/55/58/50/522555850.db2.gz KIQXHDKXVFAEHT-HNNXBMFYSA-N 2 1 273.380 2.941 10 0 CFAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)CCc1ccccn1 ZINC000052423748 522734448 /nfs/dbraw/zinc/73/44/48/522734448.db2.gz LMRPKUNIDGBDGX-UHFFFAOYSA-N 2 1 263.429 2.724 10 0 CFAEMP C[N@@H+](CCCOCC(F)(F)F)Cc1ccc(C[NH3+])cc1 ZINC000049312104 522777881 /nfs/dbraw/zinc/77/78/81/522777881.db2.gz LQTDFGAIXWRFDN-UHFFFAOYSA-N 2 1 290.329 2.546 10 0 CFAEMP C[N@@H+](CCCOCC(F)(F)F)Cc1cccc(C[NH3+])c1 ZINC000049312083 522778908 /nfs/dbraw/zinc/77/89/08/522778908.db2.gz DAIBTDACIQQBKQ-UHFFFAOYSA-N 2 1 290.329 2.546 10 0 CFAEMP CC[C@@H]1C[N@H+](Cc2c3ccccc3oc2C[NH2+]C)CCO1 ZINC000052477082 523449904 /nfs/dbraw/zinc/44/99/04/523449904.db2.gz VVAWULMVBPTKAX-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[C@@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH2+]C)CCO1 ZINC000052477082 523449912 /nfs/dbraw/zinc/44/99/12/523449912.db2.gz VVAWULMVBPTKAX-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP COCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000050953773 523694064 /nfs/dbraw/zinc/69/40/64/523694064.db2.gz ZTLWYQHQWMOFIN-CQSZACIVSA-N 2 1 268.445 2.513 10 0 CFAEMP COCC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545416 523781146 /nfs/dbraw/zinc/78/11/46/523781146.db2.gz DPZQHMLJDHQCBJ-GJZGRUSLSA-N 2 1 270.461 2.900 10 0 CFAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000049554341 524167930 /nfs/dbraw/zinc/16/79/30/524167930.db2.gz WFYCBQDYASRLMZ-IUODEOHRSA-N 2 1 264.438 2.904 10 0 CFAEMP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149890 524178061 /nfs/dbraw/zinc/17/80/61/524178061.db2.gz LBXAKHAVRIRQOG-INIZCTEOSA-N 2 1 276.424 2.886 10 0 CFAEMP C[C@@H]1CCC[N@H+]1CCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000052375903 524261493 /nfs/dbraw/zinc/26/14/93/524261493.db2.gz SOFUROMVQIQARJ-CQSZACIVSA-N 2 1 274.408 2.802 10 0 CFAEMP C[C@H](C[NH+]1CCCC1)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049152358 524320039 /nfs/dbraw/zinc/32/00/39/524320039.db2.gz CRMHMAXYUAXKSC-GFCCVEGCSA-N 2 1 270.380 2.713 10 0 CFAEMP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053011703 524454852 /nfs/dbraw/zinc/45/48/52/524454852.db2.gz XCBDHWQQHOIYLO-HNNXBMFYSA-N 2 1 276.424 2.763 10 0 CFAEMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053011703 524454863 /nfs/dbraw/zinc/45/48/63/524454863.db2.gz XCBDHWQQHOIYLO-HNNXBMFYSA-N 2 1 276.424 2.763 10 0 CFAEMP [NH3+]C[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1Br ZINC000159911749 527210958 /nfs/dbraw/zinc/21/09/58/527210958.db2.gz JZGAOBLKYKNRPH-GXSJLCMTSA-N 2 1 284.201 2.774 10 0 CFAEMP [NH3+]C[C@]1([NH+]2CCCCC2)CCC[C@@H](C(F)(F)F)C1 ZINC000069383204 527242922 /nfs/dbraw/zinc/24/29/22/527242922.db2.gz MWSDPXRVXKJOOJ-NEPJUHHUSA-N 2 1 264.335 2.922 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2c(s1)CCC2 ZINC000049330333 527431790 /nfs/dbraw/zinc/43/17/90/527431790.db2.gz FKFYXXOWHOHRDU-UHFFFAOYSA-N 2 1 261.394 2.532 10 0 CFAEMP Nc1[nH+]c2cc(Cl)ccc2n1CC[NH+]1CCCCC1 ZINC000049575356 527561287 /nfs/dbraw/zinc/56/12/87/527561287.db2.gz MNAWWNLOMRHVRE-UHFFFAOYSA-N 2 1 278.787 2.758 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468777 574355790 /nfs/dbraw/zinc/35/57/90/574355790.db2.gz VTFNHYIZJQWSKT-XIRDDKMYSA-N 2 1 288.460 2.602 10 0 CFAEMP CCC1(CC)CC[NH2+]C2(C[C@H]3CC[C@@H](C2)N3C)O1 ZINC000757142216 617799760 /nfs/dbraw/zinc/79/97/60/617799760.db2.gz KQVUXNJMQBZRPL-NNQSOWQGSA-N 2 1 252.402 2.508 10 0 CFAEMP CCC[C@@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757142156 617799951 /nfs/dbraw/zinc/79/99/51/617799951.db2.gz CTOPLKIENOVEHG-GFCCVEGCSA-N 2 1 254.418 2.802 10 0 CFAEMP C[C@@H]1OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]CC1(C)C ZINC000757151936 617835408 /nfs/dbraw/zinc/83/54/08/617835408.db2.gz UELVDQYEWZPNRT-NSHDSACASA-N 2 1 254.418 2.658 10 0 CFAEMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261667655 618128510 /nfs/dbraw/zinc/12/85/10/618128510.db2.gz ZVLNZIISFJVPLI-BBWFWOEESA-N 2 1 258.409 2.979 10 0 CFAEMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261772129 618427015 /nfs/dbraw/zinc/42/70/15/618427015.db2.gz DSWLINRWIQFNBT-IRXDYDNUSA-N 2 1 287.451 2.587 10 0 CFAEMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3F)C[C@@H]21 ZINC000096081868 185090533 /nfs/dbraw/zinc/09/05/33/185090533.db2.gz HBFUXDFARQABOB-SQWLQELKSA-N 2 1 291.414 2.630 10 0 CFAEMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128700994 187385051 /nfs/dbraw/zinc/38/50/51/187385051.db2.gz SNSFWSIIXAYPGV-HFTRVMKXSA-N 2 1 287.451 2.504 10 0 CFAEMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128700994 187385053 /nfs/dbraw/zinc/38/50/53/187385053.db2.gz SNSFWSIIXAYPGV-HFTRVMKXSA-N 2 1 287.451 2.504 10 0 CFAEMP C[NH+](C)Cc1ccccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818564 179347491 /nfs/dbraw/zinc/34/74/91/179347491.db2.gz CMTNIZPPUXMPFD-OAHLLOKOSA-N 2 1 261.413 2.644 10 0 CFAEMP C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000171050884 348067915 /nfs/dbraw/zinc/06/79/15/348067915.db2.gz HKYHFRUGRQFQJA-XOQYZJNISA-N 2 1 288.435 2.526 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000086818866 179348761 /nfs/dbraw/zinc/34/87/61/179348761.db2.gz ZFTZNZKDJUYNJV-CYBMUJFWSA-N 2 1 264.438 2.811 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817136 179344694 /nfs/dbraw/zinc/34/46/94/179344694.db2.gz ZRCFZQUEITZPBG-HOTGVXAUSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817136 179344696 /nfs/dbraw/zinc/34/46/96/179344696.db2.gz ZRCFZQUEITZPBG-HOTGVXAUSA-N 2 1 269.477 2.571 10 0 CFAEMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817892 179346138 /nfs/dbraw/zinc/34/61/38/179346138.db2.gz XWNIXOZQLYUGBC-CHWSQXEVSA-N 2 1 252.427 2.753 10 0 CFAEMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818246 179346781 /nfs/dbraw/zinc/34/67/81/179346781.db2.gz ZFBVLAAVUQDTLV-TZMCWYRMSA-N 2 1 280.387 2.969 10 0 CFAEMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818246 179346783 /nfs/dbraw/zinc/34/67/83/179346783.db2.gz ZFBVLAAVUQDTLV-TZMCWYRMSA-N 2 1 280.387 2.969 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356192 /nfs/dbraw/zinc/35/61/92/179356192.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356194 /nfs/dbraw/zinc/35/61/94/179356194.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356196 /nfs/dbraw/zinc/35/61/96/179356196.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[NH+]1CCC[C@@](CN)([N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356199 /nfs/dbraw/zinc/35/61/99/179356199.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[NH+]1CCC[C@@](CN)([N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356201 /nfs/dbraw/zinc/35/62/01/179356201.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 1 281.488 2.700 10 0 CFAEMP Cc1occc1CN(C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086847601 179356214 /nfs/dbraw/zinc/35/62/14/179356214.db2.gz ORQGPBNHLCWVAN-QGZVFWFLSA-N 2 1 293.455 2.612 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848524 179356587 /nfs/dbraw/zinc/35/65/87/179356587.db2.gz RHNSUROPLBYHSW-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H](C)CC)CC1 ZINC000086846917 179357071 /nfs/dbraw/zinc/35/70/71/179357071.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)C[C@@H](C)CC)CC1 ZINC000086846917 179357073 /nfs/dbraw/zinc/35/70/73/179357073.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)C[C@@H](C)CC)CC1 ZINC000086846917 179357076 /nfs/dbraw/zinc/35/70/76/179357076.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)C[C@@H](C)CC)CC1 ZINC000086846917 179357077 /nfs/dbraw/zinc/35/70/77/179357077.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)C[C@@H](C)CC)CC1 ZINC000086846917 179357079 /nfs/dbraw/zinc/35/70/79/179357079.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 1 269.477 2.558 10 0 CFAEMP CCCCOCC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842324 179352495 /nfs/dbraw/zinc/35/24/95/179352495.db2.gz YJLASZHVDFMVNK-HNNXBMFYSA-N 2 1 256.434 2.656 10 0 CFAEMP C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000255113777 348303058 /nfs/dbraw/zinc/30/30/58/348303058.db2.gz HKYHFRUGRQFQJA-QIPRVMPFSA-N 2 1 288.435 2.526 10 0 CFAEMP CCOc1ccccc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328636823 348441766 /nfs/dbraw/zinc/44/17/66/348441766.db2.gz OGQWLZUNUZKYTH-HNNXBMFYSA-N 2 1 299.418 2.976 10 0 CFAEMP CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328636823 348441768 /nfs/dbraw/zinc/44/17/68/348441768.db2.gz OGQWLZUNUZKYTH-HNNXBMFYSA-N 2 1 299.418 2.976 10 0 CFAEMP [NH3+][C@]12CN(Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000584630940 348695068 /nfs/dbraw/zinc/69/50/68/348695068.db2.gz QGTKUBTUMAIBIK-RTBURBONSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@]12C[N@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000584630940 348695071 /nfs/dbraw/zinc/69/50/71/348695071.db2.gz QGTKUBTUMAIBIK-RTBURBONSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000584630940 348695074 /nfs/dbraw/zinc/69/50/74/348695074.db2.gz QGTKUBTUMAIBIK-RTBURBONSA-N 2 1 278.399 2.930 10 0 CFAEMP C[C@@H]1CC2(CC[NH+](CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000584631612 348696138 /nfs/dbraw/zinc/69/61/38/348696138.db2.gz DBFNBLOPCODDKF-GASCZTMLSA-N 2 1 268.445 2.608 10 0 CFAEMP COc1ccc(C[NH3+])cc1C[N@H+]1CCC[C@H](C)CC1 ZINC000104360839 185984320 /nfs/dbraw/zinc/98/43/20/185984320.db2.gz YMHPNNNYQADMBL-ZDUSSCGKSA-N 2 1 262.397 2.776 10 0 CFAEMP CCCC[NH+]1CCC([NH2+]Cc2cccn2CC)CC1 ZINC000091025212 180089454 /nfs/dbraw/zinc/08/94/54/180089454.db2.gz QMGRGVVMZIDPAK-UHFFFAOYSA-N 2 1 263.429 2.862 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3cccnc32)CC1 ZINC000616600836 352380205 /nfs/dbraw/zinc/38/02/05/352380205.db2.gz IADNVGCFHUFZJT-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3cccnc32)CC1 ZINC000616600836 352380208 /nfs/dbraw/zinc/38/02/08/352380208.db2.gz IADNVGCFHUFZJT-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000629595166 354854811 /nfs/dbraw/zinc/85/48/11/354854811.db2.gz NASIEBMUMCJORX-MELADBBJSA-N 2 1 272.383 2.743 10 0 CFAEMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C[NH3+] ZINC000630565921 355113796 /nfs/dbraw/zinc/11/37/96/355113796.db2.gz CHTOTHQFSFYORO-MNOVXSKESA-N 2 1 275.783 2.919 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837195 355599892 /nfs/dbraw/zinc/59/98/92/355599892.db2.gz OLXWCQXODUWWFW-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837195 355599895 /nfs/dbraw/zinc/59/98/95/355599895.db2.gz OLXWCQXODUWWFW-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000631839410 355601524 /nfs/dbraw/zinc/60/15/24/355601524.db2.gz GBTUXPNGNXGYEB-BDAKNGLRSA-N 2 1 289.242 2.537 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000631839410 355601528 /nfs/dbraw/zinc/60/15/28/355601528.db2.gz GBTUXPNGNXGYEB-BDAKNGLRSA-N 2 1 289.242 2.537 10 0 CFAEMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839496 355603208 /nfs/dbraw/zinc/60/32/08/355603208.db2.gz HCYVODMEHODQJU-SCVCMEIPSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839496 355603210 /nfs/dbraw/zinc/60/32/10/355603210.db2.gz HCYVODMEHODQJU-SCVCMEIPSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000631840088 355603226 /nfs/dbraw/zinc/60/32/26/355603226.db2.gz PJLOYBFHNOSFDY-WCQYABFASA-N 2 1 289.810 2.915 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631843345 355603972 /nfs/dbraw/zinc/60/39/72/355603972.db2.gz MNHCLYBJFRFYMV-PWSUYJOCSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631843345 355603975 /nfs/dbraw/zinc/60/39/75/355603975.db2.gz MNHCLYBJFRFYMV-PWSUYJOCSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841576 355604193 /nfs/dbraw/zinc/60/41/93/355604193.db2.gz MMTCCONIDRGJGX-PWSUYJOCSA-N 2 1 272.314 2.732 10 0 CFAEMP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000224863714 540761566 /nfs/dbraw/zinc/76/15/66/540761566.db2.gz LCENUJXZYOHWDZ-ROUUACIJSA-N 2 1 281.403 2.951 10 0 CFAEMP c1ccc2c(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000224863714 540761570 /nfs/dbraw/zinc/76/15/70/540761570.db2.gz LCENUJXZYOHWDZ-ROUUACIJSA-N 2 1 281.403 2.951 10 0 CFAEMP O[C@H](C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976692 189158890 /nfs/dbraw/zinc/15/88/90/189158890.db2.gz JENLJUSTXVBCGO-ZWKOTPCHSA-N 2 1 288.435 2.574 10 0 CFAEMP O[C@H](C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977041 189158908 /nfs/dbraw/zinc/15/89/08/189158908.db2.gz MBIDGKBFQNMFIF-LSDHHAIUSA-N 2 1 294.464 2.636 10 0 CFAEMP Cc1ccsc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275553056 193074015 /nfs/dbraw/zinc/07/40/15/193074015.db2.gz NMLAJIRCNXQNER-GFCCVEGCSA-N 2 1 261.394 2.605 10 0 CFAEMP [NH3+]C1(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CCCCC1 ZINC000333286184 205185599 /nfs/dbraw/zinc/18/55/99/205185599.db2.gz NIEYKMDOFJHUAP-AWEZNQCLSA-N 2 1 287.407 2.711 10 0 CFAEMP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)n1 ZINC000129815747 377476022 /nfs/dbraw/zinc/47/60/22/377476022.db2.gz NAUGIOLJBSXURW-SMDDNHRTSA-N 2 1 274.412 2.803 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1ccccn1 ZINC000154574105 378581405 /nfs/dbraw/zinc/58/14/05/378581405.db2.gz VZOXWXNXCUVQIQ-DZGCQCFKSA-N 2 1 270.380 2.812 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccn1 ZINC000154574105 378581411 /nfs/dbraw/zinc/58/14/11/378581411.db2.gz VZOXWXNXCUVQIQ-DZGCQCFKSA-N 2 1 270.380 2.812 10 0 CFAEMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000174354926 379870902 /nfs/dbraw/zinc/87/09/02/379870902.db2.gz KAGWAQNCAWGEIR-IAGOWNOFSA-N 2 1 295.515 2.818 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3cnccn3)C2)[nH+]1 ZINC000184567240 381434293 /nfs/dbraw/zinc/43/42/93/381434293.db2.gz OSVDPFJKBMGDSR-GJZGRUSLSA-N 2 1 297.406 2.675 10 0 CFAEMP CCC[N@H+]1CCCN(c2ccncc2Cl)CC1 ZINC000301560348 382177245 /nfs/dbraw/zinc/17/72/45/382177245.db2.gz IFRSBSJPFMIUNO-UHFFFAOYSA-N 2 1 253.777 2.657 10 0 CFAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]12CC[NH2+]C[C@H]2C ZINC000306159940 382454079 /nfs/dbraw/zinc/45/40/79/382454079.db2.gz SAXVOWYQSQSZGA-INMHGKMJSA-N 2 1 258.409 2.897 10 0 CFAEMP C[C@@H]1[C@H](NC2=[NH+]CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000306952031 382462651 /nfs/dbraw/zinc/46/26/51/382462651.db2.gz CRCVCAWRDWBLJY-GDBMZVCRSA-N 2 1 271.408 2.821 10 0 CFAEMP C[C@@H]1[C@H](NC2=[NH+]CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000306952031 382462653 /nfs/dbraw/zinc/46/26/53/382462653.db2.gz CRCVCAWRDWBLJY-GDBMZVCRSA-N 2 1 271.408 2.821 10 0 CFAEMP C[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379659312 382508243 /nfs/dbraw/zinc/50/82/43/382508243.db2.gz ZOJNPJBXKHVXQQ-NVXWUHKLSA-N 2 1 292.467 2.894 10 0 CFAEMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388524376 382607044 /nfs/dbraw/zinc/60/70/44/382607044.db2.gz MTINAWTUDVOFJQ-DJIMGWMZSA-N 2 1 260.425 2.924 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190641134 382675905 /nfs/dbraw/zinc/67/59/05/382675905.db2.gz TXJJUHRZIFBZFS-DLBZAZTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000190641134 382675906 /nfs/dbraw/zinc/67/59/06/382675906.db2.gz TXJJUHRZIFBZFS-DLBZAZTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000190641209 382675930 /nfs/dbraw/zinc/67/59/30/382675930.db2.gz KDBWCSWWIDVSDR-IRXDYDNUSA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000190641209 382675931 /nfs/dbraw/zinc/67/59/31/382675931.db2.gz KDBWCSWWIDVSDR-IRXDYDNUSA-N 2 1 291.439 2.597 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000191504027 382701118 /nfs/dbraw/zinc/70/11/18/382701118.db2.gz UYASUCUWDGOTBR-INIZCTEOSA-N 2 1 290.455 2.547 10 0 CFAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000195269773 382765700 /nfs/dbraw/zinc/76/57/00/382765700.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 1 273.424 2.778 10 0 CFAEMP CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231457304 382864834 /nfs/dbraw/zinc/86/48/34/382864834.db2.gz YREQGDOPOHBYAD-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@@H+](Cc1ccnc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000231459805 382864842 /nfs/dbraw/zinc/86/48/42/382864842.db2.gz LOYGTXHHTMSVAL-HNNXBMFYSA-N 2 1 269.392 2.809 10 0 CFAEMP Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231458550 382865141 /nfs/dbraw/zinc/86/51/41/382865141.db2.gz GRIHFJGMJPSDJA-HNNXBMFYSA-N 2 1 250.361 2.708 10 0 CFAEMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231670906 382865925 /nfs/dbraw/zinc/86/59/25/382865925.db2.gz PAXSDYWDNDJSIR-GFCCVEGCSA-N 2 1 296.798 2.643 10 0 CFAEMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231670906 382865927 /nfs/dbraw/zinc/86/59/27/382865927.db2.gz PAXSDYWDNDJSIR-GFCCVEGCSA-N 2 1 296.798 2.643 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245594669 383011968 /nfs/dbraw/zinc/01/19/68/383011968.db2.gz ICVBDFXYPXYUII-SOLBZPMBSA-N 2 1 296.499 2.837 10 0 CFAEMP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000340250383 383391546 /nfs/dbraw/zinc/39/15/46/383391546.db2.gz ATOCDBDUDLOROP-OUOZUETKSA-N 2 1 267.376 2.749 10 0 CFAEMP C[N@@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000261596905 383525044 /nfs/dbraw/zinc/52/50/44/383525044.db2.gz WDUFPUUPVVTJBH-INIZCTEOSA-N 2 1 269.392 2.809 10 0 CFAEMP CCC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261933442 383582164 /nfs/dbraw/zinc/58/21/64/383582164.db2.gz LWOXMRAGQIXXQM-YOHUBWIESA-N 2 1 294.483 2.950 10 0 CFAEMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000262005002 383594036 /nfs/dbraw/zinc/59/40/36/383594036.db2.gz ULLHYNAEQMGBFA-OAHLLOKOSA-N 2 1 258.409 2.650 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@H]12 ZINC000262098271 383604876 /nfs/dbraw/zinc/60/48/76/383604876.db2.gz IIKRESXXQFIFFA-VHRBIJSZSA-N 2 1 298.789 2.527 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@H]12 ZINC000262098271 383604877 /nfs/dbraw/zinc/60/48/77/383604877.db2.gz IIKRESXXQFIFFA-VHRBIJSZSA-N 2 1 298.789 2.527 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261780847 383559656 /nfs/dbraw/zinc/55/96/56/383559656.db2.gz PLGKNVGOAVMOOB-USXIJHARSA-N 2 1 274.408 2.643 10 0 CFAEMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261807164 383564426 /nfs/dbraw/zinc/56/44/26/383564426.db2.gz RXAKZAGJXXICSM-APHBMKBZSA-N 2 1 270.376 2.910 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231464522 393781679 /nfs/dbraw/zinc/78/16/79/393781679.db2.gz HJVYOAYRYDOTJY-CQSZACIVSA-N 2 1 282.815 2.923 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231464522 393781682 /nfs/dbraw/zinc/78/16/82/393781682.db2.gz HJVYOAYRYDOTJY-CQSZACIVSA-N 2 1 282.815 2.923 10 0 CFAEMP Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000247011678 393891775 /nfs/dbraw/zinc/89/17/75/393891775.db2.gz MGENZULJWWUDCI-AWEZNQCLSA-N 2 1 285.366 2.967 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245958048 393841251 /nfs/dbraw/zinc/84/12/51/393841251.db2.gz XQACSMCCTPLIMX-YYIAUSFCSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245958048 393841253 /nfs/dbraw/zinc/84/12/53/393841253.db2.gz XQACSMCCTPLIMX-YYIAUSFCSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261881421 393950244 /nfs/dbraw/zinc/95/02/44/393950244.db2.gz FJKPFOKUULCWGK-NHHFINERSA-N 2 1 294.483 2.948 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262044796 393952397 /nfs/dbraw/zinc/95/23/97/393952397.db2.gz YYMJDYGJRJZIMK-ARFHVFGLSA-N 2 1 280.456 2.559 10 0 CFAEMP CC[C@@H]1C[NH2+]CCN1c1ccc([NH+](CC)CC)cc1 ZINC000083449847 135022538 /nfs/dbraw/zinc/02/25/38/135022538.db2.gz MMLCQSQKGIEKJD-CQSZACIVSA-N 2 1 261.413 2.721 10 0 CFAEMP CC[C@H]1C[NH2+]CCN1c1ccc([NH+]2CCCCC2)cc1 ZINC000083539449 135027766 /nfs/dbraw/zinc/02/77/66/135027766.db2.gz HNZTXPPAZSYAED-HNNXBMFYSA-N 2 1 273.424 2.865 10 0 CFAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394672158 397551043 /nfs/dbraw/zinc/55/10/43/397551043.db2.gz SYROLCSNAWKLJP-STQMWFEESA-N 2 1 260.372 2.873 10 0 CFAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000399043382 397561231 /nfs/dbraw/zinc/56/12/31/397561231.db2.gz SMKGFYHNPVIHMR-MRXNPFEDSA-N 2 1 280.456 2.536 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000020261758 171118672 /nfs/dbraw/zinc/11/86/72/171118672.db2.gz GISDSJVXMVTNGQ-OCCSQVGLSA-N 2 1 257.337 2.640 10 0 CFAEMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367489 171165732 /nfs/dbraw/zinc/16/57/32/171165732.db2.gz IYWRQGYGZUPIFY-HRCADAONSA-N 2 1 297.487 2.534 10 0 CFAEMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367489 171165733 /nfs/dbraw/zinc/16/57/33/171165733.db2.gz IYWRQGYGZUPIFY-HRCADAONSA-N 2 1 297.487 2.534 10 0 CFAEMP [NH3+]C1CC[NH+]([C@@H](c2ccco2)c2ccccc2)CC1 ZINC000020521498 171235217 /nfs/dbraw/zinc/23/52/17/171235217.db2.gz HXKYSUCXEDUGNN-MRXNPFEDSA-N 2 1 256.349 2.792 10 0 CFAEMP C[N@H+](Cc1ccsc1)Cc1cccc(C(N)=[NH2+])c1 ZINC000035719324 172373790 /nfs/dbraw/zinc/37/37/90/172373790.db2.gz QFRZFOQNTISIKB-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1cccc(C(N)=[NH2+])c1 ZINC000035719324 172373792 /nfs/dbraw/zinc/37/37/92/172373792.db2.gz QFRZFOQNTISIKB-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP C[N@H+](Cc1ccsc1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731475 172381345 /nfs/dbraw/zinc/38/13/45/172381345.db2.gz FERTVSHUIMCVQF-HNNXBMFYSA-N 2 1 260.406 2.922 10 0 CFAEMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209100 173030763 /nfs/dbraw/zinc/03/07/63/173030763.db2.gz ADESZHYKLIJJDG-UKRRQHHQSA-N 2 1 264.388 2.688 10 0 CFAEMP C[NH+](C)CCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037213760 173033906 /nfs/dbraw/zinc/03/39/06/173033906.db2.gz RBAVIXSFRCVGMJ-AWEZNQCLSA-N 2 1 250.411 2.516 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221152 173040160 /nfs/dbraw/zinc/04/01/60/173040160.db2.gz CFTDONRFUZADAJ-CHWSQXEVSA-N 2 1 252.427 2.958 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221362 173040869 /nfs/dbraw/zinc/04/08/69/173040869.db2.gz JNUFNXJWNAGZOZ-HZPDHXFCSA-N 2 1 270.461 2.759 10 0 CFAEMP CC[N@@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037538707 173258763 /nfs/dbraw/zinc/25/87/63/173258763.db2.gz GEZLSZNLQOCEJI-UHFFFAOYSA-N 2 1 252.789 2.914 10 0 CFAEMP Cc1cccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH+]1 ZINC000656608305 414615795 /nfs/dbraw/zinc/61/57/95/414615795.db2.gz ITLJDWAYEULONR-OAHLLOKOSA-N 2 1 259.397 2.606 10 0 CFAEMP CCC[NH+]1CCC([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032597 174028808 /nfs/dbraw/zinc/02/88/08/174028808.db2.gz BONCDLWRYZWJAA-UHFFFAOYSA-N 2 1 273.424 2.501 10 0 CFAEMP CCC[NH+]1CCC([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032597 174028810 /nfs/dbraw/zinc/02/88/10/174028810.db2.gz BONCDLWRYZWJAA-UHFFFAOYSA-N 2 1 273.424 2.501 10 0 CFAEMP C[C@@H]([NH3+])c1c(F)cccc1OCC[C@@H]1CCC[N@H+]1C ZINC000040240643 174213792 /nfs/dbraw/zinc/21/37/92/174213792.db2.gz UJYRQFVQOUPGEW-NEPJUHHUSA-N 2 1 266.360 2.709 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000040593146 174347641 /nfs/dbraw/zinc/34/76/41/174347641.db2.gz ZQPRUMMNDNOZAH-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000040593146 174347642 /nfs/dbraw/zinc/34/76/42/174347642.db2.gz ZQPRUMMNDNOZAH-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000040592786 174347966 /nfs/dbraw/zinc/34/79/66/174347966.db2.gz BLFJWXQFIOIDRE-UONOGXRCSA-N 2 1 262.397 2.688 10 0 CFAEMP CC[NH+]1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000040625193 174356526 /nfs/dbraw/zinc/35/65/26/174356526.db2.gz CQBNMDWETIJCRS-UHFFFAOYSA-N 2 1 264.438 2.811 10 0 CFAEMP CC[N@H+](Cc1cc(F)ccc1OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748207 174393182 /nfs/dbraw/zinc/39/31/82/174393182.db2.gz KCZKMXKSSARKMC-XYPWUTKMSA-N 2 1 292.398 2.939 10 0 CFAEMP CC[N@@H+](Cc1cc(F)ccc1OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748207 174393183 /nfs/dbraw/zinc/39/31/83/174393183.db2.gz KCZKMXKSSARKMC-XYPWUTKMSA-N 2 1 292.398 2.939 10 0 CFAEMP Cc1cccc(OCCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750028 174394781 /nfs/dbraw/zinc/39/47/81/174394781.db2.gz UTWPAJLFKSEZGZ-MQVJKMGUSA-N 2 1 274.408 2.718 10 0 CFAEMP CC(C)C[N@@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000042563012 174798418 /nfs/dbraw/zinc/79/84/18/174798418.db2.gz NDFDFAMXLLPJII-UHFFFAOYSA-N 2 1 291.439 2.840 10 0 CFAEMP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000043559853 175065775 /nfs/dbraw/zinc/06/57/75/175065775.db2.gz QQNAFMNXCYTNNM-MJBXVCDLSA-N 2 1 289.423 2.606 10 0 CFAEMP CCCN(c1cc(C)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043561779 175066583 /nfs/dbraw/zinc/06/65/83/175066583.db2.gz IOZYLPCSKNFJGX-YIONKMFJSA-N 2 1 259.397 2.889 10 0 CFAEMP C[NH2+][C@@H](C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000043807067 175108463 /nfs/dbraw/zinc/10/84/63/175108463.db2.gz QNXZLJBMXPGOPM-KLZNEWFBSA-N 2 1 262.441 2.887 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818370 175113017 /nfs/dbraw/zinc/11/30/17/175113017.db2.gz XCMIHVCKHICYED-ZACQAIPSSA-N 2 1 295.515 2.817 10 0 CFAEMP C[NH2+][C@@H](CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000043817795 175113309 /nfs/dbraw/zinc/11/33/09/175113309.db2.gz DWGAFIZHIJAQHF-SJORKVTESA-N 2 1 289.467 2.609 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818580 175113899 /nfs/dbraw/zinc/11/38/99/175113899.db2.gz MGFXLEOCCPOJIF-JKSUJKDBSA-N 2 1 269.477 2.571 10 0 CFAEMP CCCCC[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043889406 175117488 /nfs/dbraw/zinc/11/74/88/175117488.db2.gz UGXPBRXRDNBTKJ-JKSUJKDBSA-N 2 1 298.471 2.772 10 0 CFAEMP CCCCC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043889406 175117489 /nfs/dbraw/zinc/11/74/89/175117489.db2.gz UGXPBRXRDNBTKJ-JKSUJKDBSA-N 2 1 298.471 2.772 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896196 175119352 /nfs/dbraw/zinc/11/93/52/175119352.db2.gz NKSGOHAWPDTVMZ-JKSUJKDBSA-N 2 1 298.471 2.771 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902065 175122440 /nfs/dbraw/zinc/12/24/40/175122440.db2.gz XRHHSYRPOHWNRV-IRXDYDNUSA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902065 175122441 /nfs/dbraw/zinc/12/24/41/175122441.db2.gz XRHHSYRPOHWNRV-IRXDYDNUSA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OCC)c(C[N@@H+](C)CCOC)c1 ZINC000043916149 175125312 /nfs/dbraw/zinc/12/53/12/175125312.db2.gz NUPSREWFISADLT-AWEZNQCLSA-N 2 1 294.439 2.834 10 0 CFAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970443 175131231 /nfs/dbraw/zinc/13/12/31/175131231.db2.gz PDHALOTXUARYMX-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970383 175131266 /nfs/dbraw/zinc/13/12/66/175131266.db2.gz XTJWGIHLKCTCJS-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000043973446 175133083 /nfs/dbraw/zinc/13/30/83/175133083.db2.gz WHBWEYXLGHGVEO-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973446 175133084 /nfs/dbraw/zinc/13/30/84/175133084.db2.gz WHBWEYXLGHGVEO-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977730 175133516 /nfs/dbraw/zinc/13/35/16/175133516.db2.gz OYNYBYIIZVYJJK-CWRNSKLLSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000043994232 175136217 /nfs/dbraw/zinc/13/62/17/175136217.db2.gz KAIOKDHLZBQPSH-HNNXBMFYSA-N 2 1 259.353 2.551 10 0 CFAEMP C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1n1cc[nH+]c1C ZINC000043994045 175136375 /nfs/dbraw/zinc/13/63/75/175136375.db2.gz WHOLJHGIYPCNNQ-HOTGVXAUSA-N 2 1 271.364 2.648 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1Cn1cc[nH+]c1C ZINC000043994089 175136715 /nfs/dbraw/zinc/13/67/15/175136715.db2.gz KQQWRPVPSBNHJY-GFCCVEGCSA-N 2 1 273.380 2.919 10 0 CFAEMP CCc1[nH+]ccn1C[C@H]([NH2+]C)c1ccc(CC)cc1 ZINC000044037481 175139856 /nfs/dbraw/zinc/13/98/56/175139856.db2.gz DYWHHULIRMHUBC-HNNXBMFYSA-N 2 1 257.381 2.969 10 0 CFAEMP CC[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044133029 175145284 /nfs/dbraw/zinc/14/52/84/175145284.db2.gz PYVHIOUBRDROGJ-SJORKVTESA-N 2 1 276.424 2.525 10 0 CFAEMP CC[C@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000044172709 175149625 /nfs/dbraw/zinc/14/96/25/175149625.db2.gz GQIZVBAUVGQDJO-QZTJIDSGSA-N 2 1 290.451 2.915 10 0 CFAEMP CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000044172709 175149626 /nfs/dbraw/zinc/14/96/26/175149626.db2.gz GQIZVBAUVGQDJO-QZTJIDSGSA-N 2 1 290.451 2.915 10 0 CFAEMP CCn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c2ccccc21 ZINC000044528022 175192599 /nfs/dbraw/zinc/19/25/99/175192599.db2.gz VUSIHJGEACDCPX-CQSZACIVSA-N 2 1 271.408 2.832 10 0 CFAEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000044573210 175210424 /nfs/dbraw/zinc/21/04/24/175210424.db2.gz YOEDLLKXOSGDGG-UHFFFAOYSA-N 2 1 292.423 2.668 10 0 CFAEMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747450 175243312 /nfs/dbraw/zinc/24/33/12/175243312.db2.gz XNHVFZXHELYPPT-QGZVFWFLSA-N 2 1 274.408 2.844 10 0 CFAEMP C[N@@H+](CC(C)(C)C)[C@H](CN)c1ccc(F)c(F)c1 ZINC000045070823 175301341 /nfs/dbraw/zinc/30/13/41/175301341.db2.gz OQCKKKWNWJLOTR-CYBMUJFWSA-N 2 1 256.340 2.943 10 0 CFAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OCC ZINC000045368390 175363789 /nfs/dbraw/zinc/36/37/89/175363789.db2.gz WZDQFYNCYHSDMJ-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OCC ZINC000045368390 175363790 /nfs/dbraw/zinc/36/37/90/175363790.db2.gz WZDQFYNCYHSDMJ-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045370526 175363998 /nfs/dbraw/zinc/36/39/98/175363998.db2.gz YJNYQYJWLUIBFW-INIZCTEOSA-N 2 1 285.476 2.522 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045370722 175364079 /nfs/dbraw/zinc/36/40/79/175364079.db2.gz NKMOQAQXHKJZAW-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045370722 175364081 /nfs/dbraw/zinc/36/40/81/175364081.db2.gz NKMOQAQXHKJZAW-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045370440 175364377 /nfs/dbraw/zinc/36/43/77/175364377.db2.gz DQDYCBLDWNYNLL-OAHLLOKOSA-N 2 1 272.433 2.559 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381442 175370391 /nfs/dbraw/zinc/37/03/91/175370391.db2.gz LDSAQUFFNYJGSX-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381442 175370393 /nfs/dbraw/zinc/37/03/93/175370393.db2.gz LDSAQUFFNYJGSX-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383216 175371115 /nfs/dbraw/zinc/37/11/15/175371115.db2.gz ZLNKXMCKKQHYBM-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383216 175371116 /nfs/dbraw/zinc/37/11/16/175371116.db2.gz ZLNKXMCKKQHYBM-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CCC)C(C)C)C(N)=O ZINC000045385891 175371772 /nfs/dbraw/zinc/37/17/72/175371772.db2.gz MIMZOBJXEXYSBX-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384895 175372259 /nfs/dbraw/zinc/37/22/59/175372259.db2.gz QYTOYLSALYCHKJ-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384895 175372260 /nfs/dbraw/zinc/37/22/60/175372260.db2.gz QYTOYLSALYCHKJ-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)[C@@H](C)CC)[NH2+]C ZINC000045385283 175372308 /nfs/dbraw/zinc/37/23/08/175372308.db2.gz AUHSGDNKSRZPDF-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)[NH2+]C ZINC000045385283 175372310 /nfs/dbraw/zinc/37/23/10/175372310.db2.gz AUHSGDNKSRZPDF-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045387975 175373884 /nfs/dbraw/zinc/37/38/84/175373884.db2.gz TWLSKAKYCZOZCS-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045387975 175373886 /nfs/dbraw/zinc/37/38/86/175373886.db2.gz TWLSKAKYCZOZCS-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392143 175375721 /nfs/dbraw/zinc/37/57/21/175375721.db2.gz REDYLXPIUCPOLR-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392143 175375722 /nfs/dbraw/zinc/37/57/22/175375722.db2.gz REDYLXPIUCPOLR-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCCC[N@@H+](CCCC[C@@](C)([NH2+]CCC)C(N)=O)C1CC1 ZINC000045421746 175380525 /nfs/dbraw/zinc/38/05/25/175380525.db2.gz PHDDLSHDOMXVKQ-QGZVFWFLSA-N 2 1 297.487 2.665 10 0 CFAEMP CC1(C)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000076697544 177061234 /nfs/dbraw/zinc/06/12/34/177061234.db2.gz IIYDMQNCWMPTCT-HOTGVXAUSA-N 2 1 258.409 2.897 10 0 CFAEMP CC1(C)C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261569207 278334678 /nfs/dbraw/zinc/33/46/78/278334678.db2.gz JPUZFWSHDVLHNY-VXGBXAGGSA-N 2 1 260.372 2.871 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460669 281072759 /nfs/dbraw/zinc/07/27/59/281072759.db2.gz YVZMIHPVCSDYSD-BRWVUGGUSA-N 2 1 283.504 2.863 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)[nH+]1 ZINC000193855461 281246901 /nfs/dbraw/zinc/24/69/01/281246901.db2.gz CYMHRYIZTADUAK-CVEARBPZSA-N 2 1 287.407 2.817 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH+]1 ZINC000193855461 281246902 /nfs/dbraw/zinc/24/69/02/281246902.db2.gz CYMHRYIZTADUAK-CVEARBPZSA-N 2 1 287.407 2.817 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000245594656 290085056 /nfs/dbraw/zinc/08/50/56/290085056.db2.gz ICVBDFXYPXYUII-BQFCYCMXSA-N 2 1 296.499 2.837 10 0 CFAEMP CC(C)C[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052452641 519709169 /nfs/dbraw/zinc/70/91/69/519709169.db2.gz NNONVFFSTNCESX-UHFFFAOYSA-N 2 1 253.390 2.651 10 0 CFAEMP CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000049183901 519908799 /nfs/dbraw/zinc/90/87/99/519908799.db2.gz AVFPLQADLUSJQW-LBPRGKRZSA-N 2 1 252.427 2.753 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183407 519909187 /nfs/dbraw/zinc/90/91/87/519909187.db2.gz VOXWKSIPZRYWEX-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183407 519909191 /nfs/dbraw/zinc/90/91/91/519909191.db2.gz VOXWKSIPZRYWEX-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181442 519909476 /nfs/dbraw/zinc/90/94/76/519909476.db2.gz WZIYQWWLEBUQDA-OAHLLOKOSA-N 2 1 270.461 2.761 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)OCC[C@@H]1CCC[N@H+]1C ZINC000052673523 519913337 /nfs/dbraw/zinc/91/33/37/519913337.db2.gz ZLKHIURTUZJFIU-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181376 519912848 /nfs/dbraw/zinc/91/28/48/519912848.db2.gz CCKCIRVQYNCCOM-CQSZACIVSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(F)c1 ZINC000052425252 519920600 /nfs/dbraw/zinc/92/06/00/519920600.db2.gz OQAMWQBCTCVXEF-CYBMUJFWSA-N 2 1 252.377 2.893 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425252 519920604 /nfs/dbraw/zinc/92/06/04/519920604.db2.gz OQAMWQBCTCVXEF-CYBMUJFWSA-N 2 1 252.377 2.893 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)C2CCCCC2)O1 ZINC000052420134 519979105 /nfs/dbraw/zinc/97/91/05/519979105.db2.gz RBFOZCFVJWSRFV-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000052484489 519999082 /nfs/dbraw/zinc/99/90/82/519999082.db2.gz CTGUNQCMJKMLPD-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cs1 ZINC000052509702 520021404 /nfs/dbraw/zinc/02/14/04/520021404.db2.gz ZTUNDZPYPYNSJI-RYUDHWBXSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CC[C@H](C)C[C@@H]2C)cs1 ZINC000052509702 520021410 /nfs/dbraw/zinc/02/14/10/520021410.db2.gz ZTUNDZPYPYNSJI-RYUDHWBXSA-N 2 1 267.442 2.873 10 0 CFAEMP CCCCC[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454786 520149933 /nfs/dbraw/zinc/14/99/33/520149933.db2.gz GVBTVUCWYGRTOY-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CCCCC[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052454914 520152727 /nfs/dbraw/zinc/15/27/27/520152727.db2.gz ZNZVGSDQGXIVPM-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCCC[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052418057 520414798 /nfs/dbraw/zinc/41/47/98/520414798.db2.gz LUDDCZKAEBPIDN-KGLIPLIRSA-N 2 1 256.434 2.654 10 0 CFAEMP CCO[C@H](C[NH3+])CC[N@@H+](Cc1ccccc1)C(C)C ZINC000062740778 520516049 /nfs/dbraw/zinc/51/60/49/520516049.db2.gz FXCYPBVTIZBEHB-INIZCTEOSA-N 2 1 264.413 2.651 10 0 CFAEMP CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429364 521301956 /nfs/dbraw/zinc/30/19/56/521301956.db2.gz AWPWYFOAONTJBT-UHFFFAOYSA-N 2 1 277.412 2.594 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@@H](CC)C[NH2+]C(C)C ZINC000052573296 521563004 /nfs/dbraw/zinc/56/30/04/521563004.db2.gz GZVYQJANKZOTDO-HNNXBMFYSA-N 2 1 258.450 2.900 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508243 522095668 /nfs/dbraw/zinc/09/56/68/522095668.db2.gz UKCDSKRBHKCXTL-HUUCEWRRSA-N 2 1 282.815 2.539 10 0 CFAEMP CC[C@H]([NH3+])[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513966 522337977 /nfs/dbraw/zinc/33/79/77/522337977.db2.gz PZARZGKRFSBPRR-JKSUJKDBSA-N 2 1 278.440 2.633 10 0 CFAEMP CC(C)(C)[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763384 518754232 /nfs/dbraw/zinc/75/42/32/518754232.db2.gz WMJOBRUDBIFSFN-AWEZNQCLSA-N 2 1 270.461 2.638 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416598 519723858 /nfs/dbraw/zinc/72/38/58/519723858.db2.gz WQZJDDMFHOTRLO-LSDHHAIUSA-N 2 1 294.464 2.652 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419172 519724022 /nfs/dbraw/zinc/72/40/22/519724022.db2.gz YXWBVOHVKNDUMR-ZWKOTPCHSA-N 2 1 288.435 2.590 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000052481772 519727105 /nfs/dbraw/zinc/72/71/05/519727105.db2.gz ZPZMSTGJJUXQIH-UHFFFAOYSA-N 2 1 276.424 2.795 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180706 519742722 /nfs/dbraw/zinc/74/27/22/519742722.db2.gz BNUZIFOJRJISNM-MRXNPFEDSA-N 2 1 282.472 2.903 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181794 519742773 /nfs/dbraw/zinc/74/27/73/519742773.db2.gz ROERVGUFLZMPPW-HNNXBMFYSA-N 2 1 282.472 2.759 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCSC)C1 ZINC000069434245 519852241 /nfs/dbraw/zinc/85/22/41/519852241.db2.gz XVOKBMPJASPGPT-ZIAGYGMSSA-N 2 1 258.475 2.840 10 0 CFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CSC ZINC000069444465 519911294 /nfs/dbraw/zinc/91/12/94/519911294.db2.gz WKZCKLRRLKEKNW-RLAWYHOSSA-N 2 1 256.459 2.590 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@H](C)CC ZINC000052547402 519912296 /nfs/dbraw/zinc/91/22/96/519912296.db2.gz RNHVWCRIDFCWTD-OAHLLOKOSA-N 2 1 258.450 2.903 10 0 CFAEMP CC[NH2+]C[C@@H](C)C[N@H+](Cc1cccs1)C1CC1 ZINC000052370645 519942662 /nfs/dbraw/zinc/94/26/62/519942662.db2.gz ZMGDNFAXMGEVHQ-GFCCVEGCSA-N 2 1 252.427 2.958 10 0 CFAEMP CC[NH2+]C[C@@H](C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370645 519942666 /nfs/dbraw/zinc/94/26/66/519942666.db2.gz ZMGDNFAXMGEVHQ-GFCCVEGCSA-N 2 1 252.427 2.958 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)C2CCCCC2)O1 ZINC000052420135 519950626 /nfs/dbraw/zinc/95/06/26/519950626.db2.gz RBFOZCFVJWSRFV-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+]Cc1cccc(OCC[N@@H+](C)CCC)c1 ZINC000052444502 519954656 /nfs/dbraw/zinc/95/46/56/519954656.db2.gz IXWWYJINPPDQSX-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000052481771 519955322 /nfs/dbraw/zinc/95/53/22/519955322.db2.gz OIZVIAGXTPROKF-UHFFFAOYSA-N 2 1 276.424 2.797 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503331 519973680 /nfs/dbraw/zinc/97/36/80/519973680.db2.gz OKGOJLHEAICNRO-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503331 519973690 /nfs/dbraw/zinc/97/36/90/519973690.db2.gz OKGOJLHEAICNRO-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346822 519978042 /nfs/dbraw/zinc/97/80/42/519978042.db2.gz WPHHLDODCQENBA-CVEARBPZSA-N 2 1 268.445 2.656 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000052482545 519986639 /nfs/dbraw/zinc/98/66/39/519986639.db2.gz ZTLHCXPWJXLAKW-BBRMVZONSA-N 2 1 277.412 2.939 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000052482545 519986644 /nfs/dbraw/zinc/98/66/44/519986644.db2.gz ZTLHCXPWJXLAKW-BBRMVZONSA-N 2 1 277.412 2.939 10 0 CFAEMP CC[NH2+]Cc1oc(C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000052381693 520028920 /nfs/dbraw/zinc/02/89/20/520028920.db2.gz IOWBYTLVYQRXTP-LBPRGKRZSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000054555496 520220262 /nfs/dbraw/zinc/22/02/62/520220262.db2.gz RSBOZVFTAYGKIC-VGWMRTNUSA-N 2 1 270.461 2.756 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000054555496 520220271 /nfs/dbraw/zinc/22/02/71/520220271.db2.gz RSBOZVFTAYGKIC-VGWMRTNUSA-N 2 1 270.461 2.756 10 0 CFAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052371627 520274905 /nfs/dbraw/zinc/27/49/05/520274905.db2.gz HULOKXLPKZHVLL-GOEBONIOSA-N 2 1 268.445 2.798 10 0 CFAEMP CC1(C)C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261587830 520469224 /nfs/dbraw/zinc/46/92/24/520469224.db2.gz JRXSPXVKQAFYAL-CQSZACIVSA-N 2 1 282.815 2.778 10 0 CFAEMP CC1(C)C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261587830 520469234 /nfs/dbraw/zinc/46/92/34/520469234.db2.gz JRXSPXVKQAFYAL-CQSZACIVSA-N 2 1 282.815 2.778 10 0 CFAEMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231668451 521173667 /nfs/dbraw/zinc/17/36/67/521173667.db2.gz XQXWYDYQBAJJIE-HNNXBMFYSA-N 2 1 292.423 2.538 10 0 CFAEMP CC[N@H+](Cc1ccnc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052709596 521413089 /nfs/dbraw/zinc/41/30/89/521413089.db2.gz HVSALNNAYBJHMF-PBWFPOADSA-N 2 1 279.815 2.840 10 0 CFAEMP CC[N@@H+](Cc1ccnc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052709596 521413094 /nfs/dbraw/zinc/41/30/94/521413094.db2.gz HVSALNNAYBJHMF-PBWFPOADSA-N 2 1 279.815 2.840 10 0 CFAEMP CCC[N@@H+](CC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052448337 521613024 /nfs/dbraw/zinc/61/30/24/521613024.db2.gz VMLFALXJZXVZGC-UHFFFAOYSA-N 2 1 253.390 2.652 10 0 CFAEMP CC[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(C)ccc32)C1 ZINC000049220638 521626256 /nfs/dbraw/zinc/62/62/56/521626256.db2.gz DLUVDSFWNBVAQB-GFCCVEGCSA-N 2 1 258.369 2.584 10 0 CFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000054601414 521952287 /nfs/dbraw/zinc/95/22/87/521952287.db2.gz SBXPXJSRAKEUFA-ALOPSCKCSA-N 2 1 258.409 2.834 10 0 CFAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccs1 ZINC000054626807 521956456 /nfs/dbraw/zinc/95/64/56/521956456.db2.gz COVKVBSYOYHBRE-YHWZYXNKSA-N 2 1 250.411 2.505 10 0 CFAEMP C[NH2+]CC1(C[N@@H+]2CCc3sccc3[C@H]2C)CCOCC1 ZINC000052182365 521971311 /nfs/dbraw/zinc/97/13/11/521971311.db2.gz FVSQGZVFXSGLED-CYBMUJFWSA-N 2 1 294.464 2.683 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCc3sccc3[C@H]2C)CCOCC1 ZINC000052182365 521971316 /nfs/dbraw/zinc/97/13/16/521971316.db2.gz FVSQGZVFXSGLED-CYBMUJFWSA-N 2 1 294.464 2.683 10 0 CFAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508240 522058016 /nfs/dbraw/zinc/05/80/16/522058016.db2.gz UKCDSKRBHKCXTL-LSDHHAIUSA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCc3ccccc3C2)oc1C ZINC000052419098 522108624 /nfs/dbraw/zinc/10/86/24/522108624.db2.gz WSHCKRDMRXAYGM-UHFFFAOYSA-N 2 1 270.376 2.866 10 0 CFAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000052381355 522140626 /nfs/dbraw/zinc/14/06/26/522140626.db2.gz ATRJGXNQHZVTPC-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP C[NH2+]Cc1coc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373107 522149671 /nfs/dbraw/zinc/14/96/71/522149671.db2.gz WEBFEJFHXWOCEA-MRXNPFEDSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+]Cc1nc(C[N@H+](C)[C@H](C)CC(C)C)cs1 ZINC000052571728 522151218 /nfs/dbraw/zinc/15/12/18/522151218.db2.gz BBMKSACNSIJYPS-LLVKDONJSA-N 2 1 255.431 2.729 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@H](C)CC(C)C)cs1 ZINC000052571728 522151222 /nfs/dbraw/zinc/15/12/22/522151222.db2.gz BBMKSACNSIJYPS-LLVKDONJSA-N 2 1 255.431 2.729 10 0 CFAEMP CC[C@H]([NH3+])[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513966 522337968 /nfs/dbraw/zinc/33/79/68/522337968.db2.gz PZARZGKRFSBPRR-JKSUJKDBSA-N 2 1 278.440 2.633 10 0 CFAEMP CCc1[nH+]ccn1-c1ccc(C[NH2+]C2CC2)cc1C ZINC000050562522 522581095 /nfs/dbraw/zinc/58/10/95/522581095.db2.gz CKMPYWOAOQTTHT-UHFFFAOYSA-N 2 1 255.365 2.995 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513969 522647614 /nfs/dbraw/zinc/64/76/14/522647614.db2.gz PZARZGKRFSBPRR-HZPDHXFCSA-N 2 1 278.440 2.633 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513969 522647623 /nfs/dbraw/zinc/64/76/23/522647623.db2.gz PZARZGKRFSBPRR-HZPDHXFCSA-N 2 1 278.440 2.633 10 0 CFAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)Cc1cscn1 ZINC000052503703 522735980 /nfs/dbraw/zinc/73/59/80/522735980.db2.gz GLCRDMQWHGQELT-UHFFFAOYSA-N 2 1 255.431 2.743 10 0 CFAEMP C[N@H+](CCCC[NH2+]C(C)(C)C)Cc1cscn1 ZINC000052503703 522735973 /nfs/dbraw/zinc/73/59/73/522735973.db2.gz GLCRDMQWHGQELT-UHFFFAOYSA-N 2 1 255.431 2.743 10 0 CFAEMP C[N@@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374528 523055131 /nfs/dbraw/zinc/05/51/31/523055131.db2.gz PPWDPLACEVZEMV-CPCZMJQVSA-N 2 1 294.361 2.547 10 0 CFAEMP CC[C@H]1CCC[N@@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181828 523088892 /nfs/dbraw/zinc/08/88/92/523088892.db2.gz QLYSNSQSGWNQRG-INIZCTEOSA-N 2 1 282.472 2.903 10 0 CFAEMP C[N@@H+](Cc1c(C[NH3+])oc2ccccc21)[C@@H]1CCSC1 ZINC000052453252 523152199 /nfs/dbraw/zinc/15/21/99/523152199.db2.gz SHCHNBXFQOBHFH-LLVKDONJSA-N 2 1 276.405 2.829 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181826 523249895 /nfs/dbraw/zinc/24/98/95/523249895.db2.gz QLYSNSQSGWNQRG-MRXNPFEDSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052479689 523253586 /nfs/dbraw/zinc/25/35/86/523253586.db2.gz QXSQNWZMASPSCL-CYBMUJFWSA-N 2 1 250.386 2.929 10 0 CFAEMP C[N@H+](Cc1ccncc1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055015758 523461798 /nfs/dbraw/zinc/46/17/98/523461798.db2.gz YURALHUMRVYNHA-INIZCTEOSA-N 2 1 255.365 2.604 10 0 CFAEMP C[N@@H+](Cc1ccncc1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055015758 523461802 /nfs/dbraw/zinc/46/18/02/523461802.db2.gz YURALHUMRVYNHA-INIZCTEOSA-N 2 1 255.365 2.604 10 0 CFAEMP CC[C@@](C)(C[NH2+]C(C)(C)C)C[NH+]1CCSCC1 ZINC000051214372 523640150 /nfs/dbraw/zinc/64/01/50/523640150.db2.gz XDKRDUNMUJGNQD-AWEZNQCLSA-N 2 1 258.475 2.840 10 0 CFAEMP CC[C@H](C)[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052451219 523934974 /nfs/dbraw/zinc/93/49/74/523934974.db2.gz AQNIMGPNNGGWSK-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)[C@@H]1C ZINC000052182074 524221412 /nfs/dbraw/zinc/22/14/12/524221412.db2.gz KJBAZBKRDQYRJA-HUUCEWRRSA-N 2 1 280.456 2.656 10 0 CFAEMP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425416 524498452 /nfs/dbraw/zinc/49/84/52/524498452.db2.gz JYYCFXAVVNOESM-LBPRGKRZSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@@H](CC[NH2+]C1CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425416 524498455 /nfs/dbraw/zinc/49/84/55/524498455.db2.gz JYYCFXAVVNOESM-LBPRGKRZSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000061815911 524589121 /nfs/dbraw/zinc/58/91/21/524589121.db2.gz VLGAAEKUGDKYML-CABCVRRESA-N 2 1 262.397 2.515 10 0 CFAEMP Cc1cc(C[N@@H+]2CCc3sccc3C2)oc1C[NH3+] ZINC000052416543 524709877 /nfs/dbraw/zinc/70/98/77/524709877.db2.gz RYZQKEMUJKRKIG-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP Cc1cc(C[N@H+]2CCc3sccc3C2)oc1C[NH3+] ZINC000052416543 524709889 /nfs/dbraw/zinc/70/98/89/524709889.db2.gz RYZQKEMUJKRKIG-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180560 525380583 /nfs/dbraw/zinc/38/05/83/525380583.db2.gz QKRFYLZIPWMPMY-GASCZTMLSA-N 2 1 280.456 2.513 10 0 CFAEMP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000159892065 525723666 /nfs/dbraw/zinc/72/36/66/525723666.db2.gz SQEGAYZAPLZUGN-NXEZZACHSA-N 2 1 284.201 2.644 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346182 526770082 /nfs/dbraw/zinc/77/00/82/526770082.db2.gz YZMKOQDECIVAFW-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Cc1oc(C[N@H+]2CC[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484389 526771230 /nfs/dbraw/zinc/77/12/30/526771230.db2.gz AGVCZHJYEPREMV-GFCCVEGCSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1occc1C[N@@H+](C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052346498 526822947 /nfs/dbraw/zinc/82/29/47/526822947.db2.gz YWSQTAFMZHKRFS-ZDUSSCGKSA-N 2 1 252.402 2.902 10 0 CFAEMP Cc1occc1C[N@H+](C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052346498 526822951 /nfs/dbraw/zinc/82/29/51/526822951.db2.gz YWSQTAFMZHKRFS-ZDUSSCGKSA-N 2 1 252.402 2.902 10 0 CFAEMP [NH3+]C1CCC(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000050600869 527139133 /nfs/dbraw/zinc/13/91/33/527139133.db2.gz UTIXCSWWRCZVIM-ARWYELJZSA-N 2 1 258.409 2.993 10 0 CFAEMP Cc1[nH+]ccn1CCOc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000049331367 527432991 /nfs/dbraw/zinc/43/29/91/527432991.db2.gz YCNRSJUCBFCEJL-CQSZACIVSA-N 2 1 287.407 2.777 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468771 574355506 /nfs/dbraw/zinc/35/55/06/574355506.db2.gz VTFNHYIZJQWSKT-BHYGNILZSA-N 2 1 288.460 2.602 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261721451 618375142 /nfs/dbraw/zinc/37/51/42/618375142.db2.gz QFHBZQKOLMVNOB-RRQGHBQHSA-N 2 1 281.403 2.712 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSCc3ccccc3)C[C@@H]12 ZINC000261803572 619277200 /nfs/dbraw/zinc/27/72/00/619277200.db2.gz HCKLWLOJSSCDDR-BZUAXINKSA-N 2 1 276.449 2.589 10 0 CFAEMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261943228 619337251 /nfs/dbraw/zinc/33/72/51/619337251.db2.gz NDVXTLBLDFBQEO-FVQBIDKESA-N 2 1 294.826 2.587 10 0 CFAEMP Cc1nc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261954925 619348953 /nfs/dbraw/zinc/34/89/53/619348953.db2.gz OLXOFJAFULRCJS-AWEZNQCLSA-N 2 1 265.426 2.588 10 0 CFAEMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231457966 623346722 /nfs/dbraw/zinc/34/67/22/623346722.db2.gz SJFLQAFXTUPQHA-CQSZACIVSA-N 2 1 250.361 2.708 10 0 CFAEMP CCC[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1C(C)C ZINC000082434892 178012098 /nfs/dbraw/zinc/01/20/98/178012098.db2.gz BJIPQVGBSLRMPQ-UHFFFAOYSA-N 2 1 296.484 2.518 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151257368 529721716 /nfs/dbraw/zinc/72/17/16/529721716.db2.gz BWURHMANTONQLH-YJBOKZPZSA-N 2 1 290.451 2.746 10 0 CFAEMP CCn1nccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000128275330 187361178 /nfs/dbraw/zinc/36/11/78/187361178.db2.gz BJLXNTIMUBIPSF-HNNXBMFYSA-N 2 1 299.422 2.540 10 0 CFAEMP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400327162 232674805 /nfs/dbraw/zinc/67/48/05/232674805.db2.gz ATIILJNFYBDANH-SCZZXKLOSA-N 2 1 289.242 2.598 10 0 CFAEMP [NH3+]Cc1csc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000157141436 347998919 /nfs/dbraw/zinc/99/89/19/347998919.db2.gz MFYCFQAUARWEQV-UHFFFAOYSA-N 2 1 258.390 2.765 10 0 CFAEMP C[NH+](C)CCOc1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818677 179347443 /nfs/dbraw/zinc/34/74/43/179347443.db2.gz CMSLEMFGTPXODN-HNNXBMFYSA-N 2 1 291.439 2.523 10 0 CFAEMP CC[C@](C)([NH3+])C[NH2+]Cc1ccc(Br)s1 ZINC000086810532 179340799 /nfs/dbraw/zinc/34/07/99/179340799.db2.gz UFNOMEWWLPKBPP-JTQLQIEISA-N 2 1 277.231 2.728 10 0 CFAEMP CCCC1CCN([C@]2(C[NH3+])CCC[N@@H+](CC)CC2)CC1 ZINC000086848422 179356348 /nfs/dbraw/zinc/35/63/48/179356348.db2.gz UFQQZLSGHUGBMD-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846986 179356475 /nfs/dbraw/zinc/35/64/75/179356475.db2.gz PPXCNIOXNIEPOY-INIZCTEOSA-N 2 1 295.496 2.772 10 0 CFAEMP CCC(CC)CN(CC)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847809 179357181 /nfs/dbraw/zinc/35/71/81/179357181.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 1 283.504 2.948 10 0 CFAEMP CCC(CC)C[N@H+](CC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847809 179357183 /nfs/dbraw/zinc/35/71/83/179357183.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 1 283.504 2.948 10 0 CFAEMP CCC(CC)C[N@@H+](CC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847809 179357185 /nfs/dbraw/zinc/35/71/85/179357185.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 1 283.504 2.948 10 0 CFAEMP CCC(CC)C[NH+](CC)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847809 179357186 /nfs/dbraw/zinc/35/71/86/179357186.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 1 283.504 2.948 10 0 CFAEMP CCC(CC)C[NH+](CC)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847809 179357189 /nfs/dbraw/zinc/35/71/89/179357189.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 1 283.504 2.948 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H](NCCC[NH+]2CCC(C)CC2)CC1 ZINC000086836689 179351577 /nfs/dbraw/zinc/35/15/77/179351577.db2.gz FYWMEVMWLHHTQV-SFHVURJKSA-N 2 1 295.515 2.961 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000086836689 179351578 /nfs/dbraw/zinc/35/15/78/179351578.db2.gz FYWMEVMWLHHTQV-SFHVURJKSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000086836689 179351579 /nfs/dbraw/zinc/35/15/79/179351579.db2.gz FYWMEVMWLHHTQV-SFHVURJKSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)CCOCC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086843650 179353514 /nfs/dbraw/zinc/35/35/14/179353514.db2.gz VCAIRQXIQJQOPY-INIZCTEOSA-N 2 1 270.461 2.902 10 0 CFAEMP COC1CCC2(CC1)CC[NH+](CCC[NH+](C)C)CC2 ZINC000584631074 348695923 /nfs/dbraw/zinc/69/59/23/348695923.db2.gz REAFHMDGAIZACH-UHFFFAOYSA-N 2 1 268.445 2.609 10 0 CFAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000342687661 295848806 /nfs/dbraw/zinc/84/88/06/295848806.db2.gz SAMGJWXSGQTSPS-GJZGRUSLSA-N 2 1 270.461 2.638 10 0 CFAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000630074848 354997260 /nfs/dbraw/zinc/99/72/60/354997260.db2.gz BKSLMYVWQQXNHP-AAEUAGOBSA-N 2 1 252.789 2.675 10 0 CFAEMP C[C@H]1C[N@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000631839412 355601464 /nfs/dbraw/zinc/60/14/64/355601464.db2.gz GBTUXPNGNXGYEB-IUCAKERBSA-N 2 1 289.242 2.537 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000631839412 355601466 /nfs/dbraw/zinc/60/14/66/355601466.db2.gz GBTUXPNGNXGYEB-IUCAKERBSA-N 2 1 289.242 2.537 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841350 355604051 /nfs/dbraw/zinc/60/40/51/355604051.db2.gz JOGNZWSXWXNJOI-PWSUYJOCSA-N 2 1 288.313 2.612 10 0 CFAEMP Cc1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000178303358 189105310 /nfs/dbraw/zinc/10/53/10/189105310.db2.gz OJIYWTXRQLKSQQ-CYBMUJFWSA-N 2 1 276.409 2.621 10 0 CFAEMP Cc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000178303358 189105311 /nfs/dbraw/zinc/10/53/11/189105311.db2.gz OJIYWTXRQLKSQQ-CYBMUJFWSA-N 2 1 276.409 2.621 10 0 CFAEMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000180892152 189282239 /nfs/dbraw/zinc/28/22/39/189282239.db2.gz PJRAOTUMQZWAHZ-ZFWWWQNUSA-N 2 1 292.423 2.839 10 0 CFAEMP Cc1cccc2c(NCCC[NH+]3CCOCC3)cc[nH+]c12 ZINC000301679063 201133829 /nfs/dbraw/zinc/13/38/29/201133829.db2.gz RGYKZMDXPIYBPU-UHFFFAOYSA-N 2 1 285.391 2.677 10 0 CFAEMP C[NH+](C)C[C@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000026992043 372333412 /nfs/dbraw/zinc/33/34/12/372333412.db2.gz MCPTUNSSWLWTGC-CWJHNBGESA-N 2 1 262.441 2.839 10 0 CFAEMP c1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000112077216 375882274 /nfs/dbraw/zinc/88/22/74/375882274.db2.gz MLQZVSGSHSKSTR-CQSZACIVSA-N 2 1 267.376 2.909 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000119285057 376385412 /nfs/dbraw/zinc/38/54/12/376385412.db2.gz KYUIQRQSEQSKIN-OAHLLOKOSA-N 2 1 277.412 2.509 10 0 CFAEMP Cc1ccsc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121109303 376761102 /nfs/dbraw/zinc/76/11/02/376761102.db2.gz WDRNJZKPZKVZFE-CQSZACIVSA-N 2 1 296.480 2.581 10 0 CFAEMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000129704052 377462758 /nfs/dbraw/zinc/46/27/58/377462758.db2.gz TYZMBFIITPYLAN-GZBFAFLISA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000129704052 377462764 /nfs/dbraw/zinc/46/27/64/377462764.db2.gz TYZMBFIITPYLAN-GZBFAFLISA-N 2 1 260.381 2.583 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN(C)c1ccccc1 ZINC000132240252 377818628 /nfs/dbraw/zinc/81/86/28/377818628.db2.gz LMSZKAPTGOGVRJ-GOSISDBHSA-N 2 1 298.434 2.792 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN(C)c1ccccc1 ZINC000132240252 377818636 /nfs/dbraw/zinc/81/86/36/377818636.db2.gz LMSZKAPTGOGVRJ-GOSISDBHSA-N 2 1 298.434 2.792 10 0 CFAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151266528 378312477 /nfs/dbraw/zinc/31/24/77/378312477.db2.gz VYMLXOCWZAOKMV-SJORKVTESA-N 2 1 276.424 2.574 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccn1 ZINC000159003578 378680488 /nfs/dbraw/zinc/68/04/88/378680488.db2.gz WTHAGYVROPBELF-QWHCGFSZSA-N 2 1 258.369 2.573 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2ncc(C)o2)C1 ZINC000173698604 379765776 /nfs/dbraw/zinc/76/57/76/379765776.db2.gz NFIXTGZAQFQTAH-CYBMUJFWSA-N 2 1 274.368 2.579 10 0 CFAEMP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000174733375 379931923 /nfs/dbraw/zinc/93/19/23/379931923.db2.gz XUSPVNZDTKXDSA-HUUCEWRRSA-N 2 1 299.418 2.516 10 0 CFAEMP C[C@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400327164 380854895 /nfs/dbraw/zinc/85/48/95/380854895.db2.gz ATIILJNFYBDANH-WCBMZHEXSA-N 2 1 289.242 2.598 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000400331304 380856577 /nfs/dbraw/zinc/85/65/77/380856577.db2.gz DSWZOZNZABHVEU-SDDRHHMPSA-N 2 1 284.350 2.937 10 0 CFAEMP CC(C)CC[N@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328605796 382553344 /nfs/dbraw/zinc/55/33/44/382553344.db2.gz PEKFECUAQKDAKC-INIZCTEOSA-N 2 1 261.413 2.539 10 0 CFAEMP Fc1cc(F)c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000328622605 382557060 /nfs/dbraw/zinc/55/70/60/382557060.db2.gz BJMOUUBBUPDONR-JTQLQIEISA-N 2 1 295.308 2.653 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000388885010 382610087 /nfs/dbraw/zinc/61/00/87/382610087.db2.gz IAIBBIDEQBXNEX-NWDGAFQWSA-N 2 1 275.318 2.902 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000191504010 382701166 /nfs/dbraw/zinc/70/11/66/382701166.db2.gz UYASUCUWDGOTBR-MRXNPFEDSA-N 2 1 290.455 2.547 10 0 CFAEMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235457964 382882601 /nfs/dbraw/zinc/88/26/01/382882601.db2.gz KBKTVBFHYCIDNB-UKRRQHHQSA-N 2 1 264.388 2.688 10 0 CFAEMP [NH3+]C[C@H](Nc1cc[nH+]cc1Br)C1CCCC1 ZINC000236234785 382892523 /nfs/dbraw/zinc/89/25/23/382892523.db2.gz DIQSCBITYNMTDK-LBPRGKRZSA-N 2 1 284.201 2.774 10 0 CFAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(CO)c2)C1 ZINC000245937344 383051155 /nfs/dbraw/zinc/05/11/55/383051155.db2.gz UFLMPWKHVAWVAX-GRDNDAEWSA-N 2 1 276.424 2.558 10 0 CFAEMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000246386884 383074048 /nfs/dbraw/zinc/07/40/48/383074048.db2.gz AMOFCJAFYYZAOF-CWRNSKLLSA-N 2 1 274.408 2.830 10 0 CFAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000246386884 383074051 /nfs/dbraw/zinc/07/40/51/383074051.db2.gz AMOFCJAFYYZAOF-CWRNSKLLSA-N 2 1 274.408 2.830 10 0 CFAEMP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250848281 383381443 /nfs/dbraw/zinc/38/14/43/383381443.db2.gz KIVWWUVGGLYXMP-ZOBUZTSGSA-N 2 1 256.393 2.890 10 0 CFAEMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000252714661 383429826 /nfs/dbraw/zinc/42/98/26/383429826.db2.gz SNSFWSIIXAYPGV-UWWQBHOKSA-N 2 1 287.451 2.504 10 0 CFAEMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000252714661 383429831 /nfs/dbraw/zinc/42/98/31/383429831.db2.gz SNSFWSIIXAYPGV-UWWQBHOKSA-N 2 1 287.451 2.504 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@@H]12 ZINC000261544069 383508009 /nfs/dbraw/zinc/50/80/09/383508009.db2.gz DOMIDBLGXCYVRU-IACUBPJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@@H]12 ZINC000261544069 383508015 /nfs/dbraw/zinc/50/80/15/383508015.db2.gz DOMIDBLGXCYVRU-IACUBPJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]12 ZINC000261601230 383526212 /nfs/dbraw/zinc/52/62/12/383526212.db2.gz BRNNIWNLEGEORI-SOUVJXGZSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]12 ZINC000261601230 383526216 /nfs/dbraw/zinc/52/62/16/383526216.db2.gz BRNNIWNLEGEORI-SOUVJXGZSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@H]12 ZINC000261604284 383527050 /nfs/dbraw/zinc/52/70/50/383527050.db2.gz CMXYSVLXGJKCRB-VNQPRFMTSA-N 2 1 299.443 2.979 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@H]12 ZINC000261604284 383527054 /nfs/dbraw/zinc/52/70/54/383527054.db2.gz CMXYSVLXGJKCRB-VNQPRFMTSA-N 2 1 299.443 2.979 10 0 CFAEMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2O1 ZINC000261631504 383532430 /nfs/dbraw/zinc/53/24/30/383532430.db2.gz HSKIFPYNKNHKAW-BPUTZDHNSA-N 2 1 286.419 2.569 10 0 CFAEMP C1[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000261886628 383575190 /nfs/dbraw/zinc/57/51/90/383575190.db2.gz FYTPLCAZNHZFMO-WKULXVSPSA-N 2 1 292.467 2.702 10 0 CFAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261899459 383577127 /nfs/dbraw/zinc/57/71/27/383577127.db2.gz HNBCASNBLCJVTD-BZZMCLGOSA-N 2 1 288.435 2.537 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261944220 383584512 /nfs/dbraw/zinc/58/45/12/383584512.db2.gz NHQDXXOIGPWHQA-UYTYNIKBSA-N 2 1 294.483 2.950 10 0 CFAEMP C[N@@H+](CCSCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262014831 383594668 /nfs/dbraw/zinc/59/46/68/383594668.db2.gz VMPLVQQNFBNADS-INIZCTEOSA-N 2 1 278.465 2.994 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262033209 383597396 /nfs/dbraw/zinc/59/73/96/383597396.db2.gz XQYUGTLICXTTSD-WRQOLXDDSA-N 2 1 280.456 2.559 10 0 CFAEMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034512 383597587 /nfs/dbraw/zinc/59/75/87/383597587.db2.gz OKNWPXKSTDQONM-OAGGEKHMSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000261762756 383555328 /nfs/dbraw/zinc/55/53/28/383555328.db2.gz DDZQWQSCJLQGAT-INIZCTEOSA-N 2 1 276.424 2.968 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776377 383558702 /nfs/dbraw/zinc/55/87/02/383558702.db2.gz PEZIXARNVRFDPK-USXIJHARSA-N 2 1 274.408 2.643 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000261780985 383559670 /nfs/dbraw/zinc/55/96/70/383559670.db2.gz PNQMIGKIMLAJCP-SCDSUCTJSA-N 2 1 284.325 2.875 10 0 CFAEMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000262416896 383621200 /nfs/dbraw/zinc/62/12/00/383621200.db2.gz DRONQZZXRGMSPX-USXIJHARSA-N 2 1 297.402 2.819 10 0 CFAEMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000262416896 383621202 /nfs/dbraw/zinc/62/12/02/383621202.db2.gz DRONQZZXRGMSPX-USXIJHARSA-N 2 1 297.402 2.819 10 0 CFAEMP COc1ccc(C)cc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312435226 393522342 /nfs/dbraw/zinc/52/23/42/393522342.db2.gz ILQLYJNEXPBNQM-JKIFEVAISA-N 2 1 276.424 2.981 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)C[C@@H]21 ZINC000381586072 393564922 /nfs/dbraw/zinc/56/49/22/393564922.db2.gz CPMKBJZZURACJJ-YIYPIFLZSA-N 2 1 272.383 2.871 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381668272 393565861 /nfs/dbraw/zinc/56/58/61/393565861.db2.gz KSQHKVXLXOIRKJ-CHWSQXEVSA-N 2 1 260.372 2.743 10 0 CFAEMP Cc1cc(N[C@H](CCC[NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000336841331 393751226 /nfs/dbraw/zinc/75/12/26/393751226.db2.gz RNGOBXFSQCBHNV-OAHLLOKOSA-N 2 1 270.380 2.986 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC1 ZINC000095090643 393811508 /nfs/dbraw/zinc/81/15/08/393811508.db2.gz LOJCVJUJPDNHRV-VMZNBEPHSA-N 2 1 258.409 2.895 10 0 CFAEMP CC[NH+](CC)c1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1 ZINC000083545998 135029066 /nfs/dbraw/zinc/02/90/66/135029066.db2.gz BYIFAEXCMGARRE-KRWDZBQOSA-N 2 1 275.440 2.967 10 0 CFAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086846464 135048358 /nfs/dbraw/zinc/04/83/58/135048358.db2.gz AKQNJCNTGYUEOU-GOSISDBHSA-N 2 1 287.451 2.643 10 0 CFAEMP COc1ccccc1[C@@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000020261906 171119128 /nfs/dbraw/zinc/11/91/28/171119128.db2.gz YCQDYEIKPIEVIM-ZDUSSCGKSA-N 2 1 259.353 2.715 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156191 171362569 /nfs/dbraw/zinc/36/25/69/171362569.db2.gz GGONSDHSHMDWNR-CQSZACIVSA-N 2 1 289.423 2.596 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+]Cc1nccn1C(C)C ZINC000657346455 413478947 /nfs/dbraw/zinc/47/89/47/413478947.db2.gz ITWWAPGXFPGHFB-CQSZACIVSA-N 2 1 266.433 2.530 10 0 CFAEMP C[N@H+](Cc1cccs1)Cc1cc(C[NH3+])ccc1F ZINC000035725558 172379838 /nfs/dbraw/zinc/37/98/38/172379838.db2.gz AUXCHXWFONNYHV-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[N@@H+](Cc1cccs1)Cc1cc(C[NH3+])ccc1F ZINC000035725558 172379839 /nfs/dbraw/zinc/37/98/39/172379839.db2.gz AUXCHXWFONNYHV-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037172387 173005933 /nfs/dbraw/zinc/00/59/33/173005933.db2.gz DOUZJNSTIRYDCZ-AWEZNQCLSA-N 2 1 264.413 2.545 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccncc2)C1 ZINC000037221164 173040206 /nfs/dbraw/zinc/04/02/06/173040206.db2.gz FEFPCKRFBMESDW-GDBMZVCRSA-N 2 1 261.413 2.682 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221784 173042096 /nfs/dbraw/zinc/04/20/96/173042096.db2.gz CMEMMUUDRMHXAN-QXSJWSMHSA-N 2 1 268.445 2.654 10 0 CFAEMP [NH3+]CCC[N@@H+](Cc1cccc2cccnc21)C1CC1 ZINC000037299628 173103756 /nfs/dbraw/zinc/10/37/56/173103756.db2.gz KDLDDNWPZAGKIV-UHFFFAOYSA-N 2 1 255.365 2.548 10 0 CFAEMP Cc1cccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656607706 414613991 /nfs/dbraw/zinc/61/39/91/414613991.db2.gz FREYRYGDCXSCEH-HNNXBMFYSA-N 2 1 259.397 2.606 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656608344 414615376 /nfs/dbraw/zinc/61/53/76/414615376.db2.gz JAMWYMJAFNCWCC-CYBMUJFWSA-N 2 1 279.815 2.951 10 0 CFAEMP Cc1cccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH+]1 ZINC000656608302 414616520 /nfs/dbraw/zinc/61/65/20/414616520.db2.gz ITLJDWAYEULONR-HNNXBMFYSA-N 2 1 259.397 2.606 10 0 CFAEMP [NH3+]C[C@@]1([NH2+]Cc2ccccc2)CCc2ccccc2C1 ZINC000038438337 174141453 /nfs/dbraw/zinc/14/14/53/174141453.db2.gz XRQMDCPCPNCLBM-GOSISDBHSA-N 2 1 266.388 2.663 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)ccc2OC)C1 ZINC000040592536 174347617 /nfs/dbraw/zinc/34/76/17/174347617.db2.gz YBYOYVLFNIDRCI-LSDHHAIUSA-N 2 1 276.424 2.996 10 0 CFAEMP COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622477 174355067 /nfs/dbraw/zinc/35/50/67/174355067.db2.gz BWUHNPYTBQLFAP-KBPBESRZSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622569 174355406 /nfs/dbraw/zinc/35/54/06/174355406.db2.gz ZILSVIPOLSUWPY-IRXDYDNUSA-N 3 1 295.515 2.817 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040667125 174366535 /nfs/dbraw/zinc/36/65/35/174366535.db2.gz SRJRRDIDJIEQLG-UKRRQHHQSA-N 2 1 290.407 2.625 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040667125 174366536 /nfs/dbraw/zinc/36/65/36/174366536.db2.gz SRJRRDIDJIEQLG-UKRRQHHQSA-N 2 1 290.407 2.625 10 0 CFAEMP CSCCC[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668589 174367586 /nfs/dbraw/zinc/36/75/86/174367586.db2.gz CMIWLXVMNMXFKS-KGLIPLIRSA-N 2 1 258.475 2.840 10 0 CFAEMP C[N@@H+]1CCC[C@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000040715938 174383611 /nfs/dbraw/zinc/38/36/11/174383611.db2.gz GURSEGYZDXWWFL-JTQLQIEISA-N 2 1 264.760 2.539 10 0 CFAEMP C[N@H+]1CCC[C@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000040715938 174383612 /nfs/dbraw/zinc/38/36/12/174383612.db2.gz GURSEGYZDXWWFL-JTQLQIEISA-N 2 1 264.760 2.539 10 0 CFAEMP CC[N@@H+](CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748220 174393130 /nfs/dbraw/zinc/39/31/30/174393130.db2.gz VTIHDXUKKNIURG-XYPWUTKMSA-N 2 1 292.398 2.809 10 0 CFAEMP COc1ccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749380 174393845 /nfs/dbraw/zinc/39/38/45/174393845.db2.gz JFBWWFGIPHZFIW-HLVVYCRESA-N 2 1 278.371 2.849 10 0 CFAEMP COc1ccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749380 174393846 /nfs/dbraw/zinc/39/38/46/174393846.db2.gz JFBWWFGIPHZFIW-HLVVYCRESA-N 2 1 278.371 2.849 10 0 CFAEMP CCC[N@@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748699 174394076 /nfs/dbraw/zinc/39/40/76/174394076.db2.gz IILUJTDIRHOPRI-SJPCQFCGSA-N 2 1 273.424 2.619 10 0 CFAEMP Cc1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022059 174945313 /nfs/dbraw/zinc/94/53/13/174945313.db2.gz XDJOBZHDNOWKDM-RNCFNFMXSA-N 2 1 294.196 2.891 10 0 CFAEMP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1ccccc1F ZINC000043423023 175039545 /nfs/dbraw/zinc/03/95/45/175039545.db2.gz CZMIUIQPWRMDQG-UHFFFAOYSA-N 2 1 251.349 2.610 10 0 CFAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1ccccc1F ZINC000043423023 175039547 /nfs/dbraw/zinc/03/95/47/175039547.db2.gz CZMIUIQPWRMDQG-UHFFFAOYSA-N 2 1 251.349 2.610 10 0 CFAEMP CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818453 175112779 /nfs/dbraw/zinc/11/27/79/175112779.db2.gz UHRXGCZORFLPFL-ZWKOTPCHSA-N 2 1 289.467 2.753 10 0 CFAEMP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@@H+](C)C1CC1 ZINC000043822939 175114496 /nfs/dbraw/zinc/11/44/96/175114496.db2.gz WCVSHVRDANKZPL-LBPRGKRZSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888992 175117587 /nfs/dbraw/zinc/11/75/87/175117587.db2.gz VQZHMAUTSGPQDZ-JYJNAYRXSA-N 2 1 298.471 2.771 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000043965993 175127285 /nfs/dbraw/zinc/12/72/85/175127285.db2.gz NXRQBVZTJRPBME-CJNGLKHVSA-N 2 1 292.423 2.586 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966840 175127788 /nfs/dbraw/zinc/12/77/88/175127788.db2.gz MRJAIDCDVKGJAT-VGWMRTNUSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966840 175127789 /nfs/dbraw/zinc/12/77/89/175127789.db2.gz MRJAIDCDVKGJAT-VGWMRTNUSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966802 175127831 /nfs/dbraw/zinc/12/78/31/175127831.db2.gz AHPBFSUDKBRUPU-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966802 175127832 /nfs/dbraw/zinc/12/78/32/175127832.db2.gz AHPBFSUDKBRUPU-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966841 175128166 /nfs/dbraw/zinc/12/81/66/175128166.db2.gz MRJAIDCDVKGJAT-QXSJWSMHSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966841 175128167 /nfs/dbraw/zinc/12/81/67/175128167.db2.gz MRJAIDCDVKGJAT-QXSJWSMHSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966847 175128205 /nfs/dbraw/zinc/12/82/05/175128205.db2.gz NVLXEGAGQDICSA-ARFHVFGLSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966847 175128206 /nfs/dbraw/zinc/12/82/06/175128206.db2.gz NVLXEGAGQDICSA-ARFHVFGLSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CCOC)CC(C)C ZINC000043970502 175131373 /nfs/dbraw/zinc/13/13/73/175131373.db2.gz IOWHYBXLCAXVNE-CABCVRRESA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CCOC)CC(C)C ZINC000043970502 175131374 /nfs/dbraw/zinc/13/13/74/175131374.db2.gz IOWHYBXLCAXVNE-CABCVRRESA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977476 175133592 /nfs/dbraw/zinc/13/35/92/175133592.db2.gz RUGBGVFORSTBTC-NUEKZKHPSA-N 2 1 270.461 2.900 10 0 CFAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OC(C)C)cc1 ZINC000043994523 175136330 /nfs/dbraw/zinc/13/63/30/175136330.db2.gz GRMHEGAVPYMCPL-MRXNPFEDSA-N 2 1 273.380 2.939 10 0 CFAEMP CCc1[nH+]ccn1Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000044036639 175139601 /nfs/dbraw/zinc/13/96/01/175139601.db2.gz ASKHKGHFIYXMDV-GFCCVEGCSA-N 2 1 273.380 2.783 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]C ZINC000044036570 175139621 /nfs/dbraw/zinc/13/96/21/175139621.db2.gz RMYFCJSRIKARPV-DOTOQJQBSA-N 2 1 285.391 2.902 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1CC)c1ccccc1OC ZINC000044036808 175139939 /nfs/dbraw/zinc/13/99/39/175139939.db2.gz SZZVOHLKDNALQD-AWEZNQCLSA-N 2 1 273.380 2.805 10 0 CFAEMP Cc1cc(C)c([C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000044132987 175145179 /nfs/dbraw/zinc/14/51/79/175145179.db2.gz FBDRFNLTRTTYIY-QGZVFWFLSA-N 2 1 290.451 2.671 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656967 175225637 /nfs/dbraw/zinc/22/56/37/175225637.db2.gz QDTCCZDEAGVAAE-CABCVRRESA-N 2 1 256.434 2.513 10 0 CFAEMP COCCCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000044658181 175225742 /nfs/dbraw/zinc/22/57/42/175225742.db2.gz SZNOFKIKSKTLLI-XYPWUTKMSA-N 2 1 268.445 2.512 10 0 CFAEMP COCCCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000044658181 175225743 /nfs/dbraw/zinc/22/57/43/175225743.db2.gz SZNOFKIKSKTLLI-XYPWUTKMSA-N 2 1 268.445 2.512 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747607 175243025 /nfs/dbraw/zinc/24/30/25/175243025.db2.gz SNIRXOMNRPHZLK-SUMWQHHRSA-N 2 1 274.408 2.701 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073396 175302894 /nfs/dbraw/zinc/30/28/94/175302894.db2.gz DCWOCMPKBJMCPL-GVDBMIGSSA-N 2 1 280.456 2.798 10 0 CFAEMP CCC1CCC([N@H+](C)CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045281161 175351850 /nfs/dbraw/zinc/35/18/50/175351850.db2.gz LCWFZEXVKOFJQW-VMBOVVBDSA-N 2 1 297.487 2.519 10 0 CFAEMP CCC1CCC([N@@H+](C)CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045281161 175351852 /nfs/dbraw/zinc/35/18/52/175351852.db2.gz LCWFZEXVKOFJQW-VMBOVVBDSA-N 2 1 297.487 2.519 10 0 CFAEMP CCC[NH+](CCC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045378634 175367599 /nfs/dbraw/zinc/36/75/99/175367599.db2.gz OWZBYXHBOSFUAI-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045378528 175367751 /nfs/dbraw/zinc/36/77/51/175367751.db2.gz JEBDMFSATLZYNR-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379147 175368486 /nfs/dbraw/zinc/36/84/86/175368486.db2.gz MXQOBSUODQKFJA-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379147 175368487 /nfs/dbraw/zinc/36/84/87/175368487.db2.gz MXQOBSUODQKFJA-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045385906 175371960 /nfs/dbraw/zinc/37/19/60/175371960.db2.gz FXHIQBODJQOMNW-MRXNPFEDSA-N 2 1 285.476 2.519 10 0 CFAEMP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)OCC)C(C)C ZINC000045386018 175372319 /nfs/dbraw/zinc/37/23/19/175372319.db2.gz RWDPKYGIPZNXCL-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCC[C@](C)([NH2+]CC)C(=O)OCC)C(C)C ZINC000045386018 175372320 /nfs/dbraw/zinc/37/23/20/175372320.db2.gz RWDPKYGIPZNXCL-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045385856 175372384 /nfs/dbraw/zinc/37/23/84/175372384.db2.gz PNMVVZHGIQZEJH-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045385856 175372385 /nfs/dbraw/zinc/37/23/85/175372385.db2.gz PNMVVZHGIQZEJH-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387451 175372886 /nfs/dbraw/zinc/37/28/86/175372886.db2.gz WWEVSKOGVVERRH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387451 175372887 /nfs/dbraw/zinc/37/28/87/175372887.db2.gz WWEVSKOGVVERRH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045387963 175373980 /nfs/dbraw/zinc/37/39/80/175373980.db2.gz IFFYIDKCFOCQTP-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045387963 175373981 /nfs/dbraw/zinc/37/39/81/175373981.db2.gz IFFYIDKCFOCQTP-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391621 175374643 /nfs/dbraw/zinc/37/46/43/175374643.db2.gz CSBJMQKFOZAPOQ-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391621 175374645 /nfs/dbraw/zinc/37/46/45/175374645.db2.gz CSBJMQKFOZAPOQ-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142458 176040229 /nfs/dbraw/zinc/04/02/29/176040229.db2.gz VOBLQGVWORZWRK-CYBMUJFWSA-N 2 1 257.381 2.518 10 0 CFAEMP C[N@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190403 176067240 /nfs/dbraw/zinc/06/72/40/176067240.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1ccc(Br)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190403 176067241 /nfs/dbraw/zinc/06/72/41/176067241.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1ccc(Br)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190403 176067243 /nfs/dbraw/zinc/06/72/43/176067243.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP CC[NH+](CC)c1ccc(-n2ccc(CC[NH3+])c2)cc1 ZINC000071582855 176207846 /nfs/dbraw/zinc/20/78/46/176207846.db2.gz PPBCRPXFDSACJS-UHFFFAOYSA-N 2 1 257.381 2.825 10 0 CFAEMP Clc1ccc(Cl)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398372104 270321831 /nfs/dbraw/zinc/32/18/31/270321831.db2.gz RCTWJTPAPPSOOY-VIFPVBQESA-N 2 1 259.180 2.693 10 0 CFAEMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013111 274359812 /nfs/dbraw/zinc/35/98/12/274359812.db2.gz SJLOAQXVUMPXBH-XFBWCDHKSA-N 2 1 262.372 2.730 10 0 CFAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000129704251 274393647 /nfs/dbraw/zinc/39/36/47/274393647.db2.gz TYZMBFIITPYLAN-VNHYZAJKSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000129704251 274393648 /nfs/dbraw/zinc/39/36/48/274393648.db2.gz TYZMBFIITPYLAN-VNHYZAJKSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000248042258 274394433 /nfs/dbraw/zinc/39/44/33/274394433.db2.gz TYZMBFIITPYLAN-IPYPFGDCSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000248042258 274394436 /nfs/dbraw/zinc/39/44/36/274394436.db2.gz TYZMBFIITPYLAN-IPYPFGDCSA-N 2 1 260.381 2.583 10 0 CFAEMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000261975706 276168558 /nfs/dbraw/zinc/16/85/58/276168558.db2.gz RAOPJALFSGGHHC-OAGGEKHMSA-N 2 1 280.456 2.704 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000394019052 281193980 /nfs/dbraw/zinc/19/39/80/281193980.db2.gz HTGXFBFSSRSUIA-KBRIMQKVSA-N 2 1 258.409 2.981 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503382 519743257 /nfs/dbraw/zinc/74/32/57/519743257.db2.gz UHBQIMDXLBRHKM-UHFFFAOYSA-N 2 1 285.520 2.922 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182769 519912662 /nfs/dbraw/zinc/91/26/62/519912662.db2.gz OGEZMBMAPXBTMC-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)[C@H](C)COC)CCCCC1 ZINC000051250803 519913078 /nfs/dbraw/zinc/91/30/78/519913078.db2.gz FTNUDPMYYMFLDV-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420854 519941116 /nfs/dbraw/zinc/94/11/16/519941116.db2.gz RHOLBUAXNHWQNS-QKPAOTATSA-N 2 1 268.445 2.512 10 0 CFAEMP CCC[NH2+]Cc1cccc(OCC[N@@H+](C)C(C)C)c1 ZINC000052419594 519955224 /nfs/dbraw/zinc/95/52/24/519955224.db2.gz YCFFURHSVNIANI-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](CCO)C(CC)CC ZINC000053876949 520094376 /nfs/dbraw/zinc/09/43/76/520094376.db2.gz KDDKFQKMYOYWLV-HOCLYGCPSA-N 2 1 270.461 2.638 10 0 CFAEMP CCC(CC)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181724 521542289 /nfs/dbraw/zinc/54/22/89/521542289.db2.gz LROPEMWYYMYBDG-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP C[NH2+]Cc1nc(C[N@H+](C)C2CCC(C)CC2)cs1 ZINC000052345287 522150509 /nfs/dbraw/zinc/15/05/09/522150509.db2.gz ODNZVECBUTZDJB-UHFFFAOYSA-N 2 1 267.442 2.873 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)C2CCC(C)CC2)cs1 ZINC000052345287 522150521 /nfs/dbraw/zinc/15/05/21/522150521.db2.gz ODNZVECBUTZDJB-UHFFFAOYSA-N 2 1 267.442 2.873 10 0 CFAEMP C[NH2+]Cc1nc(C[N@H+](C)[C@@H](C)CC(C)C)cs1 ZINC000052571729 522151019 /nfs/dbraw/zinc/15/10/19/522151019.db2.gz BBMKSACNSIJYPS-NSHDSACASA-N 2 1 255.431 2.729 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@@H](C)CC(C)C)cs1 ZINC000052571729 522151025 /nfs/dbraw/zinc/15/10/25/522151025.db2.gz BBMKSACNSIJYPS-NSHDSACASA-N 2 1 255.431 2.729 10 0 CFAEMP CC[C@H]([NH3+])[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513963 522341067 /nfs/dbraw/zinc/34/10/67/522341067.db2.gz PZARZGKRFSBPRR-HOTGVXAUSA-N 2 1 278.440 2.633 10 0 CFAEMP CC[C@H]([NH3+])[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513963 522341078 /nfs/dbraw/zinc/34/10/78/522341078.db2.gz PZARZGKRFSBPRR-HOTGVXAUSA-N 2 1 278.440 2.633 10 0 CFAEMP CC(C)(C)[NH2+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425536 518765857 /nfs/dbraw/zinc/76/58/57/518765857.db2.gz QYPIIEBQAREPMM-UHFFFAOYSA-N 2 1 268.426 2.717 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052503359 519716846 /nfs/dbraw/zinc/71/68/46/519716846.db2.gz PYUYKWLXVIXHFD-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052503359 519716849 /nfs/dbraw/zinc/71/68/49/519716849.db2.gz PYUYKWLXVIXHFD-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccsc2)O1 ZINC000052457393 519724101 /nfs/dbraw/zinc/72/41/01/519724101.db2.gz XVANJICQIABFPW-LSDHHAIUSA-N 2 1 282.453 2.726 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419173 519725610 /nfs/dbraw/zinc/72/56/10/519725610.db2.gz YXWBVOHVKNDUMR-QZTJIDSGSA-N 2 1 288.435 2.590 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476160 519747761 /nfs/dbraw/zinc/74/77/61/519747761.db2.gz CQWANKNJNOMKIR-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000052476160 519747762 /nfs/dbraw/zinc/74/77/62/519747762.db2.gz CQWANKNJNOMKIR-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CCC[NH+]1CCC(n2c(C)c(C)c3c2nc[nH+]c3N)CC1 ZINC000049559804 519848032 /nfs/dbraw/zinc/84/80/32/519848032.db2.gz BPMXCRKYMIHTOZ-UHFFFAOYSA-N 2 1 287.411 2.677 10 0 CFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCO1 ZINC000054628719 519908822 /nfs/dbraw/zinc/90/88/22/519908822.db2.gz ZDFUTOAISDEMPA-UYTSQGDYSA-N 2 1 266.429 2.551 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181382 519910274 /nfs/dbraw/zinc/91/02/74/519910274.db2.gz YDIDBLXKGZIHLY-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000052503841 519913083 /nfs/dbraw/zinc/91/30/83/519913083.db2.gz SCRVAPITXVNMHF-GFCCVEGCSA-N 2 1 255.431 2.743 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000052503841 519913084 /nfs/dbraw/zinc/91/30/84/519913084.db2.gz SCRVAPITXVNMHF-GFCCVEGCSA-N 2 1 255.431 2.743 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C[C@@H](C)CC)O1 ZINC000052454363 519938028 /nfs/dbraw/zinc/93/80/28/519938028.db2.gz NDKBPCPQYHNBLD-RRFJBIMHSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380885 519957493 /nfs/dbraw/zinc/95/74/93/519957493.db2.gz DTZGWDYHBUICAY-GASCZTMLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431420 520020969 /nfs/dbraw/zinc/02/09/69/520020969.db2.gz LUZBAUOTWHWHNR-CABCVRRESA-N 2 1 298.471 2.771 10 0 CFAEMP CC[NH2+]Cc1oc(C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000052381694 520028338 /nfs/dbraw/zinc/02/83/38/520028338.db2.gz IOWBYTLVYQRXTP-GFCCVEGCSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+][C@@H](C)CCCC[N@@H+](CCOC)CC(C)C ZINC000045602554 520070698 /nfs/dbraw/zinc/07/06/98/520070698.db2.gz WRGXDLSOVUJVIP-HNNXBMFYSA-N 2 1 258.450 2.759 10 0 CFAEMP CCCCC[N@@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181467 520148737 /nfs/dbraw/zinc/14/87/37/520148737.db2.gz KWUSBLNFVXASCT-UHFFFAOYSA-N 2 1 256.434 2.515 10 0 CFAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccsc2)C[C@@H]1C ZINC000049713592 520216429 /nfs/dbraw/zinc/21/64/29/520216429.db2.gz RZJJOADSERFSJY-JSGCOSHPSA-N 2 1 252.427 2.611 10 0 CFAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccsc2)C[C@@H]1C ZINC000049713592 520216435 /nfs/dbraw/zinc/21/64/35/520216435.db2.gz RZJJOADSERFSJY-JSGCOSHPSA-N 2 1 252.427 2.611 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052371484 520285216 /nfs/dbraw/zinc/28/52/16/520285216.db2.gz JVXAFKCHTVQJQA-INIZCTEOSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[N@@H+](CC(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181226 520412881 /nfs/dbraw/zinc/41/28/81/520412881.db2.gz RDBUEWDDMSGHTI-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000049332300 520630777 /nfs/dbraw/zinc/63/07/77/520630777.db2.gz HTAPRAAPFPHIOI-MRXNPFEDSA-N 2 1 269.477 2.572 10 0 CFAEMP CC[N@@H+](CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000069262862 520958590 /nfs/dbraw/zinc/95/85/90/520958590.db2.gz BXXBPYQUKZJIOG-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(N)c1 ZINC000049333173 521014908 /nfs/dbraw/zinc/01/49/08/521014908.db2.gz DYAHPZXSSUGDHL-UHFFFAOYSA-N 2 1 261.413 2.577 10 0 CFAEMP CC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)CC(C)C ZINC000052449712 521149235 /nfs/dbraw/zinc/14/92/35/521149235.db2.gz JWUJWOBYQYTACT-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)C1CC1 ZINC000052451993 521289098 /nfs/dbraw/zinc/28/90/98/521289098.db2.gz ZHDXXWKOAHHWDU-UHFFFAOYSA-N 2 1 251.374 2.547 10 0 CFAEMP CCC[N@@H+](C)CCOc1ccccc1C[NH2+]CC ZINC000052444494 521484116 /nfs/dbraw/zinc/48/41/16/521484116.db2.gz PERICJSDCPAVMH-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccc(Cl)cc2)CCOCC1 ZINC000052197870 521966944 /nfs/dbraw/zinc/96/69/44/521966944.db2.gz YXWVKJVEKIPCOS-UHFFFAOYSA-N 2 1 296.842 2.788 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052454107 521970970 /nfs/dbraw/zinc/97/09/70/521970970.db2.gz WDIIPOGDVWDPQN-CQSZACIVSA-N 2 1 264.413 2.763 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420869 522107872 /nfs/dbraw/zinc/10/78/72/522107872.db2.gz XDCKUFAJXSTZOJ-TXEJJXNPSA-N 2 1 250.386 2.785 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424639 522164283 /nfs/dbraw/zinc/16/42/83/522164283.db2.gz JKCQPCMMLLOOQV-UHFFFAOYSA-N 2 1 258.365 2.939 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@@H+]1CCOC[C@@H]1C ZINC000052475710 522170406 /nfs/dbraw/zinc/17/04/06/522170406.db2.gz CDWGYBSSFIGOKF-LBPRGKRZSA-N 2 1 290.432 2.841 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@H+]1CCOC[C@@H]1C ZINC000052475710 522170412 /nfs/dbraw/zinc/17/04/12/522170412.db2.gz CDWGYBSSFIGOKF-LBPRGKRZSA-N 2 1 290.432 2.841 10 0 CFAEMP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](CCOC)CC(C)C ZINC000052508437 522189418 /nfs/dbraw/zinc/18/94/18/522189418.db2.gz GTLLACXQGVSYTC-CQSZACIVSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](CCOC)CC(C)C ZINC000052508437 522189423 /nfs/dbraw/zinc/18/94/23/522189423.db2.gz GTLLACXQGVSYTC-CQSZACIVSA-N 2 1 258.450 2.758 10 0 CFAEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052511476 522218604 /nfs/dbraw/zinc/21/86/04/522218604.db2.gz XZQKMTUUGJQHMO-GFCCVEGCSA-N 2 1 268.401 2.553 10 0 CFAEMP CC[C@H]([NH3+])Cc1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049331407 522334395 /nfs/dbraw/zinc/33/43/95/522334395.db2.gz IXJKCFDFPDHBEN-HNNXBMFYSA-N 2 1 273.380 2.550 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191786400 522597757 /nfs/dbraw/zinc/59/77/57/522597757.db2.gz LBFUMMZVCHGTER-INIZCTEOSA-N 2 1 292.471 2.814 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191786400 522597770 /nfs/dbraw/zinc/59/77/70/522597770.db2.gz LBFUMMZVCHGTER-INIZCTEOSA-N 2 1 292.471 2.814 10 0 CFAEMP CC[C@@H]([NH3+])[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513965 522651339 /nfs/dbraw/zinc/65/13/39/522651339.db2.gz PZARZGKRFSBPRR-CVEARBPZSA-N 2 1 278.440 2.633 10 0 CFAEMP CC[C@@H]([NH3+])[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513965 522651349 /nfs/dbraw/zinc/65/13/49/522651349.db2.gz PZARZGKRFSBPRR-CVEARBPZSA-N 2 1 278.440 2.633 10 0 CFAEMP COCc1cccc(C[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000052205684 523053168 /nfs/dbraw/zinc/05/31/68/523053168.db2.gz QIDGEOMOOZKDQR-QGZVFWFLSA-N 2 1 276.424 2.797 10 0 CFAEMP CCn1cc(C[N@@H+](CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539177 523365410 /nfs/dbraw/zinc/36/54/10/523365410.db2.gz GMRGFTXLWVLITR-UHFFFAOYSA-N 2 1 278.444 2.777 10 0 CFAEMP C[N@H+](Cc1ccncc1)[C@H](CC[NH3+])c1ccccc1 ZINC000055015760 523465309 /nfs/dbraw/zinc/46/53/09/523465309.db2.gz YURALHUMRVYNHA-MRXNPFEDSA-N 2 1 255.365 2.604 10 0 CFAEMP C[N@@H+](Cc1ccncc1)[C@H](CC[NH3+])c1ccccc1 ZINC000055015760 523465311 /nfs/dbraw/zinc/46/53/11/523465311.db2.gz YURALHUMRVYNHA-MRXNPFEDSA-N 2 1 255.365 2.604 10 0 CFAEMP CN1CCC([N@H+](C)Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052419818 523616983 /nfs/dbraw/zinc/61/69/83/523616983.db2.gz YLNUSXFSSLXIGR-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP CN1CCC([N@@H+](C)Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052419818 523616996 /nfs/dbraw/zinc/61/69/96/523616996.db2.gz YLNUSXFSSLXIGR-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP C[N@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1C[NH3+] ZINC000052858526 523824620 /nfs/dbraw/zinc/82/46/20/523824620.db2.gz NPSIVPUSNQSQLI-CYBMUJFWSA-N 2 1 268.788 2.662 10 0 CFAEMP C[N@H+]1CCC[C@H]1CCOc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051549435 523849677 /nfs/dbraw/zinc/84/96/77/523849677.db2.gz LRJDUHFOWIAHIY-HNNXBMFYSA-N 2 1 291.439 2.833 10 0 CFAEMP CC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052444123 523922799 /nfs/dbraw/zinc/92/27/99/523922799.db2.gz DERWJKPRAIIADL-NSHDSACASA-N 2 1 253.390 2.793 10 0 CFAEMP CC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052444125 523922176 /nfs/dbraw/zinc/92/21/76/523922176.db2.gz SHLPYDULHYFBGR-LBPRGKRZSA-N 2 1 253.390 2.651 10 0 CFAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2ccccc2n1 ZINC000049557784 524164388 /nfs/dbraw/zinc/16/43/88/524164388.db2.gz LBSUTXNORZVIIG-CYBMUJFWSA-N 2 1 257.381 2.665 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])[C@@H]1C ZINC000050563666 524220431 /nfs/dbraw/zinc/22/04/31/524220431.db2.gz COPDTEAFGUSDSU-ZIAGYGMSSA-N 2 1 289.423 2.594 10 0 CFAEMP Cc1cccc(N2CC[NH+](C[C@@H](C)C[NH2+]C(C)C)CC2)c1 ZINC000052418930 524556452 /nfs/dbraw/zinc/55/64/52/524556452.db2.gz MMPRKMSGHIZPDL-KRWDZBQOSA-N 2 1 289.467 2.751 10 0 CFAEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CCO1 ZINC000052382324 524625007 /nfs/dbraw/zinc/62/50/07/524625007.db2.gz CWJLYNRKNGKFME-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CCO1 ZINC000052382324 524625013 /nfs/dbraw/zinc/62/50/13/524625013.db2.gz CWJLYNRKNGKFME-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCOC(C)(C)C)C2)[nH+]1 ZINC000195516342 524682712 /nfs/dbraw/zinc/68/27/12/524682712.db2.gz OHTVTHOAPXKFHJ-OAHLLOKOSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOC(C)(C)C)C2)[nH+]1 ZINC000195516342 524682722 /nfs/dbraw/zinc/68/27/22/524682722.db2.gz OHTVTHOAPXKFHJ-OAHLLOKOSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000151262861 524871957 /nfs/dbraw/zinc/87/19/57/524871957.db2.gz YEPZQZQNJPQSGF-DLBZAZTESA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1c(C)n([C@H](CC(C)C)C[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000049559806 525687635 /nfs/dbraw/zinc/68/76/35/525687635.db2.gz SOCMSUHVBXHQMT-CYBMUJFWSA-N 2 1 289.427 2.779 10 0 CFAEMP c1ccc(OCCC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000061815702 526485030 /nfs/dbraw/zinc/48/50/30/526485030.db2.gz JYENDWWTZRMSCX-OAHLLOKOSA-N 2 1 274.408 2.529 10 0 CFAEMP Cc1oc(C[N@@H+](C)C2CC2)cc1C[NH2+]CC(C)C ZINC000052445293 526769392 /nfs/dbraw/zinc/76/93/92/526769392.db2.gz BHQOWHKRIRJDEI-UHFFFAOYSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1oc(C[NH2+]CC(C)C)cc1C[N@@H+](C)C1CC1 ZINC000052445606 526775446 /nfs/dbraw/zinc/77/54/46/526775446.db2.gz ZGQWBYFZVCDUAU-UHFFFAOYSA-N 2 1 250.386 2.928 10 0 CFAEMP [NH3+]C[C@@]1([NH+]2CCCCC2)CCC[C@H](C(F)(F)F)C1 ZINC000069383192 527222247 /nfs/dbraw/zinc/22/22/47/527222247.db2.gz MWSDPXRVXKJOOJ-NWDGAFQWSA-N 2 1 264.335 2.922 10 0 CFAEMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373072 527252997 /nfs/dbraw/zinc/25/29/97/527252997.db2.gz QLQCEYXBLPNARL-CQSZACIVSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+]Cc1nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000052373090 527265991 /nfs/dbraw/zinc/26/59/91/527265991.db2.gz PTZWXUDVXBARRT-CYBMUJFWSA-N 2 1 273.405 2.591 10 0 CFAEMP C[N@@H+](CCSc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226466361 545499620 /nfs/dbraw/zinc/49/96/20/545499620.db2.gz CXJDCJAVMPDCOW-CQSZACIVSA-N 2 1 282.428 2.992 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593668 545500355 /nfs/dbraw/zinc/50/03/55/545500355.db2.gz NAQQZLDJXYDLHP-MELADBBJSA-N 2 1 266.335 2.793 10 0 CFAEMP CCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262002896 617893521 /nfs/dbraw/zinc/89/35/21/617893521.db2.gz USBOKBPOORPVON-SWHNLWLKSA-N 2 1 280.456 2.702 10 0 CFAEMP C[C@@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000261553355 619169839 /nfs/dbraw/zinc/16/98/39/619169839.db2.gz AEVULTIZCTWKKE-SKDRFNHKSA-N 2 1 261.756 2.814 10 0 CFAEMP CC1CCC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000261571137 619171402 /nfs/dbraw/zinc/17/14/02/619171402.db2.gz KWGWDLDZTIQXNV-UHFFFAOYSA-N 2 1 250.430 2.888 10 0 CFAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089108947 650827836 /nfs/dbraw/zinc/82/78/36/650827836.db2.gz QQOFYPUHBROKIV-NWDGAFQWSA-N 2 1 258.369 2.503 10 0 CFAEMP CCC[NH2+][C@](C)(CO)CCC[N@H+]1CCCC(C)(C)C1 ZINC000085212046 178974698 /nfs/dbraw/zinc/97/46/98/178974698.db2.gz ZFSXITZXXCMPKY-INIZCTEOSA-N 2 1 270.461 2.639 10 0 CFAEMP Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818853 179348390 /nfs/dbraw/zinc/34/83/90/179348390.db2.gz PVHSENGPMZWTFL-HZPDHXFCSA-N 2 1 276.424 2.836 10 0 CFAEMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817408 179344781 /nfs/dbraw/zinc/34/47/81/179344781.db2.gz MWLCTOBQSLGYKP-CJNGLKHVSA-N 2 1 289.423 2.780 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817390 179345067 /nfs/dbraw/zinc/34/50/67/179345067.db2.gz MAJPOLOTHHIASP-DOMZBBRYSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817891 179345755 /nfs/dbraw/zinc/34/57/55/179345755.db2.gz XWNIXOZQLYUGBC-QWHCGFSZSA-N 2 1 252.427 2.753 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCSc2ccccc2)CC1 ZINC000086818808 179346419 /nfs/dbraw/zinc/34/64/19/179346419.db2.gz APAXSGWDALWIOL-CQSZACIVSA-N 2 1 264.438 2.853 10 0 CFAEMP CCN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086848397 179356399 /nfs/dbraw/zinc/35/63/99/179356399.db2.gz WVISTXYUWWPSIJ-KRWDZBQOSA-N 2 1 293.430 2.855 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848299 179357320 /nfs/dbraw/zinc/35/73/20/179357320.db2.gz AZUQKGZZFNDEPZ-QGZVFWFLSA-N 2 1 293.430 2.855 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844871 179355137 /nfs/dbraw/zinc/35/51/37/179355137.db2.gz PPFQRHVCEBIZDR-ZDUSSCGKSA-N 2 1 267.442 2.806 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844871 179355139 /nfs/dbraw/zinc/35/51/39/179355139.db2.gz PPFQRHVCEBIZDR-ZDUSSCGKSA-N 2 1 267.442 2.806 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCCS1 ZINC000307365197 348398706 /nfs/dbraw/zinc/39/87/06/348398706.db2.gz LTKYCCNAQKTKKA-ZFWWWQNUSA-N 2 1 289.448 2.589 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCCS1 ZINC000307365197 348398707 /nfs/dbraw/zinc/39/87/07/348398707.db2.gz LTKYCCNAQKTKKA-ZFWWWQNUSA-N 2 1 289.448 2.589 10 0 CFAEMP C[C@@H]1CC2(CC[NH+](CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000584631614 348696051 /nfs/dbraw/zinc/69/60/51/348696051.db2.gz DBFNBLOPCODDKF-HUUCEWRRSA-N 2 1 268.445 2.608 10 0 CFAEMP [NH3+][C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303773 180130647 /nfs/dbraw/zinc/13/06/47/180130647.db2.gz QFCLGAXSDGIWMG-KZNAEPCWSA-N 2 1 264.372 2.916 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000122834331 187054644 /nfs/dbraw/zinc/05/46/44/187054644.db2.gz INWXHCHJZOTAQJ-CYBMUJFWSA-N 2 1 259.353 2.876 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000122834331 187054645 /nfs/dbraw/zinc/05/46/45/187054645.db2.gz INWXHCHJZOTAQJ-CYBMUJFWSA-N 2 1 259.353 2.876 10 0 CFAEMP C[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297668002 200256930 /nfs/dbraw/zinc/25/69/30/200256930.db2.gz OJVQBQNKKNZLQI-HNNXBMFYSA-N 2 1 288.435 2.808 10 0 CFAEMP C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)[C@H](C[NH3+])C1 ZINC000381762994 540700027 /nfs/dbraw/zinc/70/00/27/540700027.db2.gz XIQGTQDYTILHSO-UPJWGTAASA-N 2 1 260.372 2.871 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)[C@H](C[NH3+])C1 ZINC000381762994 540700031 /nfs/dbraw/zinc/70/00/31/540700031.db2.gz XIQGTQDYTILHSO-UPJWGTAASA-N 2 1 260.372 2.871 10 0 CFAEMP O[C@@H](C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976721 189159191 /nfs/dbraw/zinc/15/91/91/189159191.db2.gz JENLJUSTXVBCGO-MSOLQXFVSA-N 2 1 288.435 2.574 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000180892167 189282402 /nfs/dbraw/zinc/28/24/02/189282402.db2.gz PJRAOTUMQZWAHZ-HIFRSBDPSA-N 2 1 292.423 2.839 10 0 CFAEMP c1cc2cccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c2[nH]1 ZINC000275438613 193037033 /nfs/dbraw/zinc/03/70/33/193037033.db2.gz FSXDSXBHAPIPNP-CYBMUJFWSA-N 2 1 280.375 2.717 10 0 CFAEMP Oc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000036852357 372602222 /nfs/dbraw/zinc/60/22/22/372602222.db2.gz DLIACFHXZUOYSG-INIZCTEOSA-N 2 1 274.408 2.845 10 0 CFAEMP CCn1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000092813089 375160702 /nfs/dbraw/zinc/16/07/02/375160702.db2.gz ABWWDJOWRKVVPD-OAHLLOKOSA-N 2 1 299.422 2.540 10 0 CFAEMP CCn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000092813089 375160707 /nfs/dbraw/zinc/16/07/07/375160707.db2.gz ABWWDJOWRKVVPD-OAHLLOKOSA-N 2 1 299.422 2.540 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000111824640 375872626 /nfs/dbraw/zinc/87/26/26/375872626.db2.gz WNUKTNOZGZALMK-CQSZACIVSA-N 2 1 252.789 2.914 10 0 CFAEMP Cc1nccn1CCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125473157 377158954 /nfs/dbraw/zinc/15/89/54/377158954.db2.gz GRUOUDPURPIXOO-JKSUJKDBSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125473157 377158958 /nfs/dbraw/zinc/15/89/58/377158958.db2.gz GRUOUDPURPIXOO-JKSUJKDBSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125473157 377158963 /nfs/dbraw/zinc/15/89/63/377158963.db2.gz GRUOUDPURPIXOO-JKSUJKDBSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]1 ZINC000130754337 377605993 /nfs/dbraw/zinc/60/59/93/377605993.db2.gz YAANIWKGMSQIJQ-INIZCTEOSA-N 2 1 282.391 2.719 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]1 ZINC000130754337 377605998 /nfs/dbraw/zinc/60/59/98/377605998.db2.gz YAANIWKGMSQIJQ-INIZCTEOSA-N 2 1 282.391 2.719 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN(C)c1ccccc1 ZINC000132240010 377818915 /nfs/dbraw/zinc/81/89/15/377818915.db2.gz LMSZKAPTGOGVRJ-SFHVURJKSA-N 2 1 298.434 2.792 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN(C)c1ccccc1 ZINC000132240010 377818922 /nfs/dbraw/zinc/81/89/22/377818922.db2.gz LMSZKAPTGOGVRJ-SFHVURJKSA-N 2 1 298.434 2.792 10 0 CFAEMP O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151325974 378317452 /nfs/dbraw/zinc/31/74/52/378317452.db2.gz STDDJRPPZVKGJH-FUHWJXTLSA-N 2 1 288.435 2.500 10 0 CFAEMP c1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171939471 379445400 /nfs/dbraw/zinc/44/54/00/379445400.db2.gz KAOAJAUUFWBVCU-CYBMUJFWSA-N 2 1 253.349 2.519 10 0 CFAEMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1c1ccccc1 ZINC000335604699 379591551 /nfs/dbraw/zinc/59/15/51/379591551.db2.gz PFIMCYQQZQZFCP-KGLIPLIRSA-N 2 1 287.794 2.914 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2ncc(C)o2)C1 ZINC000173698618 379765442 /nfs/dbraw/zinc/76/54/42/379765442.db2.gz NFIXTGZAQFQTAH-ZDUSSCGKSA-N 2 1 274.368 2.579 10 0 CFAEMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000178273325 380429568 /nfs/dbraw/zinc/42/95/68/380429568.db2.gz AMOFCJAFYYZAOF-VNQPRFMTSA-N 2 1 274.408 2.830 10 0 CFAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000178273325 380429571 /nfs/dbraw/zinc/42/95/71/380429571.db2.gz AMOFCJAFYYZAOF-VNQPRFMTSA-N 2 1 274.408 2.830 10 0 CFAEMP CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178971711 380496391 /nfs/dbraw/zinc/49/63/91/380496391.db2.gz TXQWTOICSJMXOY-KRWDZBQOSA-N 2 1 288.435 2.838 10 0 CFAEMP C[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601499 380530756 /nfs/dbraw/zinc/53/07/56/380530756.db2.gz JHLUDBHIJMJQHO-VXGBXAGGSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601499 380530763 /nfs/dbraw/zinc/53/07/63/380530763.db2.gz JHLUDBHIJMJQHO-VXGBXAGGSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(F)(F)F ZINC000336601499 380530766 /nfs/dbraw/zinc/53/07/66/380530766.db2.gz JHLUDBHIJMJQHO-VXGBXAGGSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(F)(F)F ZINC000336601499 380530773 /nfs/dbraw/zinc/53/07/73/380530773.db2.gz JHLUDBHIJMJQHO-VXGBXAGGSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601497 380531269 /nfs/dbraw/zinc/53/12/69/380531269.db2.gz JHLUDBHIJMJQHO-NWDGAFQWSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601497 380531276 /nfs/dbraw/zinc/53/12/76/380531276.db2.gz JHLUDBHIJMJQHO-NWDGAFQWSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(F)(F)F ZINC000336601497 380531281 /nfs/dbraw/zinc/53/12/81/380531281.db2.gz JHLUDBHIJMJQHO-NWDGAFQWSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(F)(F)F ZINC000336601497 380531284 /nfs/dbraw/zinc/53/12/84/380531284.db2.gz JHLUDBHIJMJQHO-NWDGAFQWSA-N 2 1 264.335 2.603 10 0 CFAEMP CCCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000187158613 382113805 /nfs/dbraw/zinc/11/38/05/382113805.db2.gz CKZGEDZMESHXLH-SFHVURJKSA-N 2 1 290.451 2.576 10 0 CFAEMP CC[C@H](c1ccc(F)cn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388341915 382606626 /nfs/dbraw/zinc/60/66/26/382606626.db2.gz XNJIKDLZHHGBCE-KCPJHIHWSA-N 2 1 265.376 2.589 10 0 CFAEMP CC[C@H](c1ccc(F)cn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388341915 382606630 /nfs/dbraw/zinc/60/66/30/382606630.db2.gz XNJIKDLZHHGBCE-KCPJHIHWSA-N 2 1 265.376 2.589 10 0 CFAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195269762 382765473 /nfs/dbraw/zinc/76/54/73/382765473.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 1 273.424 2.778 10 0 CFAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000231459217 382865112 /nfs/dbraw/zinc/86/51/12/382865112.db2.gz NCTBCRACCVXLDA-OAHLLOKOSA-N 2 1 262.397 2.578 10 0 CFAEMP C[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423387884 383077478 /nfs/dbraw/zinc/07/74/78/383077478.db2.gz KHRMEWAOUCASCI-KBMXLJTQSA-N 2 1 276.424 2.568 10 0 CFAEMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000583623133 383091277 /nfs/dbraw/zinc/09/12/77/383091277.db2.gz OUJGRILZOGLULO-GOEBONIOSA-N 2 1 299.418 2.675 10 0 CFAEMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250361188 383375458 /nfs/dbraw/zinc/37/54/58/383375458.db2.gz TYHVGNFLVJRTEK-BZSNNMDCSA-N 2 1 287.451 2.506 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]12 ZINC000261545320 383508770 /nfs/dbraw/zinc/50/87/70/383508770.db2.gz FYAQAWHDPJYGIX-FPMFFAJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]12 ZINC000261545320 383508774 /nfs/dbraw/zinc/50/87/74/383508774.db2.gz FYAQAWHDPJYGIX-FPMFFAJLSA-N 2 1 295.224 2.618 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558885 383511028 /nfs/dbraw/zinc/51/10/28/383511028.db2.gz SVUXSUCBVSGIQW-YUTCNCBUSA-N 2 1 250.411 2.534 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558882 383511086 /nfs/dbraw/zinc/51/10/86/383511086.db2.gz SVUXSUCBVSGIQW-FPMFFAJLSA-N 2 1 250.411 2.534 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000261578443 383518310 /nfs/dbraw/zinc/51/83/10/383518310.db2.gz OZEGFFIORZEHDM-JTNHKYCSSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000261578443 383518314 /nfs/dbraw/zinc/51/83/14/383518314.db2.gz OZEGFFIORZEHDM-JTNHKYCSSA-N 2 1 268.763 2.648 10 0 CFAEMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596575 383525120 /nfs/dbraw/zinc/52/51/20/383525120.db2.gz AHXZXNSLRMDYCD-YESZJQIVSA-N 2 1 281.403 2.712 10 0 CFAEMP C[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000261596906 383525647 /nfs/dbraw/zinc/52/56/47/383525647.db2.gz WDUFPUUPVVTJBH-MRXNPFEDSA-N 2 1 269.392 2.809 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(N)c3)C2)[nH+]1 ZINC000261648142 383537480 /nfs/dbraw/zinc/53/74/80/383537480.db2.gz HKUMRKCGUVSYQK-MRXNPFEDSA-N 2 1 296.418 2.906 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(N)c3)C2)[nH+]1 ZINC000261648142 383537484 /nfs/dbraw/zinc/53/74/84/383537484.db2.gz HKUMRKCGUVSYQK-MRXNPFEDSA-N 2 1 296.418 2.906 10 0 CFAEMP CCc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696752 383542842 /nfs/dbraw/zinc/54/28/42/383542842.db2.gz JLUJEMDYTXDVBZ-WBVHZDCISA-N 2 1 299.418 2.720 10 0 CFAEMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262001582 383592811 /nfs/dbraw/zinc/59/28/11/383592811.db2.gz UPZVNRGGLDIBSY-OAGGEKHMSA-N 2 1 280.456 2.704 10 0 CFAEMP Cc1cccc(C)c1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262174674 383610457 /nfs/dbraw/zinc/61/04/57/383610457.db2.gz VQAYRNIIQJQYDJ-INIZCTEOSA-N 2 1 276.424 2.756 10 0 CFAEMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261780301 383558824 /nfs/dbraw/zinc/55/88/24/383558824.db2.gz FJSQVCALUANNKY-BBRMVZONSA-N 2 1 296.842 2.959 10 0 CFAEMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261780301 383558826 /nfs/dbraw/zinc/55/88/26/383558826.db2.gz FJSQVCALUANNKY-BBRMVZONSA-N 2 1 296.842 2.959 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261780851 383560316 /nfs/dbraw/zinc/56/03/16/383560316.db2.gz PLGKNVGOAVMOOB-XIRDDKMYSA-N 2 1 274.408 2.643 10 0 CFAEMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000262416879 383621262 /nfs/dbraw/zinc/62/12/62/383621262.db2.gz DRONQZZXRGMSPX-UAGQMJEPSA-N 2 1 297.402 2.819 10 0 CFAEMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000262416879 383621267 /nfs/dbraw/zinc/62/12/67/383621267.db2.gz DRONQZZXRGMSPX-UAGQMJEPSA-N 2 1 297.402 2.819 10 0 CFAEMP C[C@H](Cc1cccs1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000643543997 384721989 /nfs/dbraw/zinc/72/19/89/384721989.db2.gz DBEFQANTCKMWPD-YRGRVCCFSA-N 2 1 252.427 2.596 10 0 CFAEMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCCC1 ZINC000085629975 393751615 /nfs/dbraw/zinc/75/16/15/393751615.db2.gz SKYOKJXIUGMLKP-ZNMIVQPWSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC[C@H]2C2CC2)C[C@@]1(C)C[NH3+] ZINC000415059177 393810751 /nfs/dbraw/zinc/81/07/51/393810751.db2.gz XHTSEJNIXJQDFS-SLBVQIDZSA-N 2 1 250.430 2.872 10 0 CFAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638502 393819951 /nfs/dbraw/zinc/81/99/51/393819951.db2.gz CTANBIMKIQBPBV-CABCVRRESA-N 2 1 276.424 2.682 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCCCC2)CC1 ZINC000121083866 393948178 /nfs/dbraw/zinc/94/81/78/393948178.db2.gz PWBHWNMUKFRCAL-INIZCTEOSA-N 2 1 296.499 2.981 10 0 CFAEMP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000174737335 394379712 /nfs/dbraw/zinc/37/97/12/394379712.db2.gz VRDJDFBTEANOJX-OAHLLOKOSA-N 2 1 299.418 2.782 10 0 CFAEMP CC[C@H]1C[NH2+]CCN1c1ccc([NH+](CC)CC)cc1 ZINC000083449848 135022369 /nfs/dbraw/zinc/02/23/69/135022369.db2.gz MMLCQSQKGIEKJD-AWEZNQCLSA-N 2 1 261.413 2.721 10 0 CFAEMP CC(C)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334933 413253685 /nfs/dbraw/zinc/25/36/85/413253685.db2.gz VSJHXEGMCCQCJF-AEFFLSMTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334933 413253693 /nfs/dbraw/zinc/25/36/93/413253693.db2.gz VSJHXEGMCCQCJF-AEFFLSMTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334933 413253701 /nfs/dbraw/zinc/25/37/01/413253701.db2.gz VSJHXEGMCCQCJF-AEFFLSMTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334933 413253709 /nfs/dbraw/zinc/25/37/09/413253709.db2.gz VSJHXEGMCCQCJF-AEFFLSMTSA-N 2 1 290.451 2.600 10 0 CFAEMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034515 286333200 /nfs/dbraw/zinc/33/32/00/286333200.db2.gz OKNWPXKSTDQONM-XHSDSOJGSA-N 2 1 280.456 2.656 10 0 CFAEMP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367491 171165835 /nfs/dbraw/zinc/16/58/35/171165835.db2.gz IYWRQGYGZUPIFY-PMPSAXMXSA-N 2 1 297.487 2.534 10 0 CFAEMP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367491 171165837 /nfs/dbraw/zinc/16/58/37/171165837.db2.gz IYWRQGYGZUPIFY-PMPSAXMXSA-N 2 1 297.487 2.534 10 0 CFAEMP CC[N@@H+](CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022221380 171378290 /nfs/dbraw/zinc/37/82/90/171378290.db2.gz YXJVWBRKQMSWGV-UHFFFAOYSA-N 2 1 289.423 2.738 10 0 CFAEMP CCCOc1ccc([C@H]([NH3+])Cn2cc[nH+]c2C)cc1 ZINC000023071677 171411317 /nfs/dbraw/zinc/41/13/17/171411317.db2.gz YTJWSJMCUHLHRE-OAHLLOKOSA-N 2 1 259.353 2.680 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000037172401 173005201 /nfs/dbraw/zinc/00/52/01/173005201.db2.gz NTKXYPPHPYBQMG-ZDUSSCGKSA-N 2 1 250.386 2.502 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210315 173032588 /nfs/dbraw/zinc/03/25/88/173032588.db2.gz UVIYACTZOYWZIG-HUUCEWRRSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037210929 173032616 /nfs/dbraw/zinc/03/26/16/173032616.db2.gz JKJFLCAIHAHKGN-UHFFFAOYSA-N 2 1 294.468 2.834 10 0 CFAEMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665299002 414272207 /nfs/dbraw/zinc/27/22/07/414272207.db2.gz DSDIYOBXIPVGEH-WDEREUQCSA-N 2 1 287.329 2.578 10 0 CFAEMP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000040506732 174302345 /nfs/dbraw/zinc/30/23/45/174302345.db2.gz UZJCJUWZDWTZHA-CABCVRRESA-N 2 1 256.434 2.513 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000040592575 174347603 /nfs/dbraw/zinc/34/76/03/174347603.db2.gz RVPFSZQUTSDLHN-DOTOQJQBSA-N 2 1 260.425 2.939 10 0 CFAEMP C[C@@H]1CCC[C@@](C[NH2+]CCc2ccccn2)([NH+](C)C)C1 ZINC000040669320 174368053 /nfs/dbraw/zinc/36/80/53/174368053.db2.gz ZKPHWEYIKCSALX-NVXWUHKLSA-N 2 1 275.440 2.724 10 0 CFAEMP CC[N@@H+](C1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747416 174392724 /nfs/dbraw/zinc/39/27/24/174392724.db2.gz DIOINHRBUHCEEC-BYICEURKSA-N 2 1 270.420 2.759 10 0 CFAEMP COC(C)(C)C[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767543 174398422 /nfs/dbraw/zinc/39/84/22/174398422.db2.gz BBSDDRWBRLKUMA-AWEZNQCLSA-N 2 1 256.434 2.656 10 0 CFAEMP Cc1cc([C@@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)c(C)s1 ZINC000042392033 174706748 /nfs/dbraw/zinc/70/67/48/174706748.db2.gz BXJDPFXDOLGMGX-MRXNPFEDSA-N 2 1 295.496 2.638 10 0 CFAEMP COc1c(C)cnc(C[N@@H+](CCC[NH3+])CC(C)C)c1C ZINC000043417484 175038441 /nfs/dbraw/zinc/03/84/41/175038441.db2.gz VUJWKVQMNRVCIW-UHFFFAOYSA-N 2 1 279.428 2.514 10 0 CFAEMP CCCC[C@H](CC)CN1CC[NH+](CCCC[NH3+])CC1 ZINC000043454525 175049913 /nfs/dbraw/zinc/04/99/13/175049913.db2.gz FFEGKQKARHNAHY-INIZCTEOSA-N 2 1 269.477 2.559 10 0 CFAEMP C[NH2+]Cc1ccc(OCCn2cc[nH+]c2C)c(Cl)c1 ZINC000043478255 175055394 /nfs/dbraw/zinc/05/53/94/175055394.db2.gz RTGRAXSWXGBXNZ-UHFFFAOYSA-N 2 1 279.771 2.643 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592064 175074513 /nfs/dbraw/zinc/07/45/13/175074513.db2.gz MAUUIJVUILBKLT-CABCVRRESA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889827 175117703 /nfs/dbraw/zinc/11/77/03/175117703.db2.gz YTAZHXLECJFGBA-ARFHVFGLSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889827 175117704 /nfs/dbraw/zinc/11/77/04/175117704.db2.gz YTAZHXLECJFGBA-ARFHVFGLSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)CCC)OCCO2 ZINC000043896578 175119217 /nfs/dbraw/zinc/11/92/17/175119217.db2.gz REEAFLKOMUXCRG-HRCADAONSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)CCC)OCCO2 ZINC000043896578 175119218 /nfs/dbraw/zinc/11/92/18/175119218.db2.gz REEAFLKOMUXCRG-HRCADAONSA-N 2 1 298.471 2.771 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907293 175123318 /nfs/dbraw/zinc/12/33/18/175123318.db2.gz WRKWEUHHCFYLJZ-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CC)CC(CC)CC ZINC000043967112 175128611 /nfs/dbraw/zinc/12/86/11/175128611.db2.gz RFDKDPWRNNYBGN-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CC)CC(CC)CC ZINC000043967112 175128612 /nfs/dbraw/zinc/12/86/12/175128612.db2.gz RFDKDPWRNNYBGN-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CC)CCOC ZINC000043968752 175130030 /nfs/dbraw/zinc/13/00/30/175130030.db2.gz TWPIWYLREOFBAT-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CC)CCOC ZINC000043968752 175130031 /nfs/dbraw/zinc/13/00/31/175130031.db2.gz TWPIWYLREOFBAT-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](CCCOC)CCOC ZINC000043971023 175132256 /nfs/dbraw/zinc/13/22/56/175132256.db2.gz RMKSYWLYCWWAHN-CVEARBPZSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](CCCOC)CCOC ZINC000043971023 175132257 /nfs/dbraw/zinc/13/22/57/175132257.db2.gz RMKSYWLYCWWAHN-CVEARBPZSA-N 2 1 288.476 2.528 10 0 CFAEMP CCO[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)C1 ZINC000043971377 175132436 /nfs/dbraw/zinc/13/24/36/175132436.db2.gz BWHZUPOHLGCQPV-YHUYYLMFSA-N 2 1 268.445 2.654 10 0 CFAEMP CCO[C@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)C1 ZINC000043971377 175132438 /nfs/dbraw/zinc/13/24/38/175132438.db2.gz BWHZUPOHLGCQPV-YHUYYLMFSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971437 175132690 /nfs/dbraw/zinc/13/26/90/175132690.db2.gz BNPKFMPEBSWWMF-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+]1CCC[C@H](OCC)C1 ZINC000043971437 175132692 /nfs/dbraw/zinc/13/26/92/175132692.db2.gz BNPKFMPEBSWWMF-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972923 175133079 /nfs/dbraw/zinc/13/30/79/175133079.db2.gz PMLFCYPSFXOANV-XHSDSOJGSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972923 175133080 /nfs/dbraw/zinc/13/30/80/175133080.db2.gz PMLFCYPSFXOANV-XHSDSOJGSA-N 2 1 298.471 2.627 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977964 175133359 /nfs/dbraw/zinc/13/33/59/175133359.db2.gz CKFFSFDLAMVCQD-IHRRRGAJSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977964 175133361 /nfs/dbraw/zinc/13/33/61/175133361.db2.gz CKFFSFDLAMVCQD-IHRRRGAJSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981312 175133962 /nfs/dbraw/zinc/13/39/62/175133962.db2.gz GUYRUDOBZJDHOF-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981312 175133963 /nfs/dbraw/zinc/13/39/63/175133963.db2.gz GUYRUDOBZJDHOF-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981740 175134205 /nfs/dbraw/zinc/13/42/05/175134205.db2.gz FFNZXVYAUFZFMW-VGWMRTNUSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981740 175134206 /nfs/dbraw/zinc/13/42/06/175134206.db2.gz FFNZXVYAUFZFMW-VGWMRTNUSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccccc1OC ZINC000043993947 175136324 /nfs/dbraw/zinc/13/63/24/175136324.db2.gz ASQLNWYOLZJSBV-HNNXBMFYSA-N 2 1 273.380 2.941 10 0 CFAEMP CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1C ZINC000043993683 175136766 /nfs/dbraw/zinc/13/67/66/175136766.db2.gz OOWPLTKEDCAZGI-GOEBONIOSA-N 2 1 271.364 2.866 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1CC)c1ccccc1OC ZINC000044036812 175139709 /nfs/dbraw/zinc/13/97/09/175139709.db2.gz SZZVOHLKDNALQD-CQSZACIVSA-N 2 1 273.380 2.805 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1CC)c1cccc(OC)c1 ZINC000044036904 175139773 /nfs/dbraw/zinc/13/97/73/175139773.db2.gz PYDAETXCZZKYEA-OAHLLOKOSA-N 2 1 273.380 2.805 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044528020 175192793 /nfs/dbraw/zinc/19/27/93/175192793.db2.gz HUEYOSOGMYOIEE-CYBMUJFWSA-N 2 1 257.381 2.647 10 0 CFAEMP Cc1ccc(SCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529377 175194407 /nfs/dbraw/zinc/19/44/07/175194407.db2.gz MFQJYNYVYWRYOL-AWEZNQCLSA-N 2 1 264.438 2.758 10 0 CFAEMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3n2)C1 ZINC000044537143 175199513 /nfs/dbraw/zinc/19/95/13/175199513.db2.gz INDBFQAPHUWOLW-CQSZACIVSA-N 2 1 269.392 2.666 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3n2)C1 ZINC000044537143 175199514 /nfs/dbraw/zinc/19/95/14/175199514.db2.gz INDBFQAPHUWOLW-CQSZACIVSA-N 2 1 269.392 2.666 10 0 CFAEMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3n2)C1 ZINC000044537145 175200202 /nfs/dbraw/zinc/20/02/02/175200202.db2.gz INDBFQAPHUWOLW-AWEZNQCLSA-N 2 1 269.392 2.666 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3n2)C1 ZINC000044537145 175200204 /nfs/dbraw/zinc/20/02/04/175200204.db2.gz INDBFQAPHUWOLW-AWEZNQCLSA-N 2 1 269.392 2.666 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747606 175243059 /nfs/dbraw/zinc/24/30/59/175243059.db2.gz SNIRXOMNRPHZLK-CXAGYDPISA-N 2 1 274.408 2.701 10 0 CFAEMP C[N@@H+](CCCOc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068713 175300908 /nfs/dbraw/zinc/30/09/08/175300908.db2.gz HXYYAMOTCSVFBL-UHFFFAOYSA-N 2 1 264.413 2.892 10 0 CFAEMP C[N@@H+](Cc1ccc(C(N)=[NH2+])cc1F)CC(C)(C)C ZINC000045074242 175302344 /nfs/dbraw/zinc/30/23/44/175302344.db2.gz OPDWOUBIMZYWPG-UHFFFAOYSA-N 2 1 251.349 2.588 10 0 CFAEMP CCCCOCC[N@@H+]1CC[C@@H]([NH2+]CCC)C[C@@H]1C ZINC000045107887 175308415 /nfs/dbraw/zinc/30/84/15/175308415.db2.gz ZSOPDRAJGOHXSX-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CCCCOCC[N@H+]1CC[C@@H]([NH2+]CCC)C[C@@H]1C ZINC000045107887 175308417 /nfs/dbraw/zinc/30/84/17/175308417.db2.gz ZSOPDRAJGOHXSX-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CC(C)[N@@H+]1CC[C@@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000045118655 175311352 /nfs/dbraw/zinc/31/13/52/175311352.db2.gz KPOVKVYVWRDXQJ-ZDUSSCGKSA-N 2 1 284.407 2.959 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000045118655 175311353 /nfs/dbraw/zinc/31/13/53/175311353.db2.gz KPOVKVYVWRDXQJ-ZDUSSCGKSA-N 2 1 284.407 2.959 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000045168313 175319491 /nfs/dbraw/zinc/31/94/91/175319491.db2.gz BCKSHQUJOATKFD-ZDUSSCGKSA-N 2 1 278.444 2.564 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1C ZINC000045172727 175321600 /nfs/dbraw/zinc/32/16/00/175321600.db2.gz WMLVKSTUXSZHAG-SWLSCSKDSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000045172727 175321602 /nfs/dbraw/zinc/32/16/02/175321602.db2.gz WMLVKSTUXSZHAG-SWLSCSKDSA-N 2 1 278.444 2.512 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045370532 175364083 /nfs/dbraw/zinc/36/40/83/175364083.db2.gz YJNYQYJWLUIBFW-MRXNPFEDSA-N 2 1 285.476 2.522 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[NH+](CC)CC)[NH2+]C(C)C ZINC000045375868 175366571 /nfs/dbraw/zinc/36/65/71/175366571.db2.gz ZXESRTADPOJZTR-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045380867 175369801 /nfs/dbraw/zinc/36/98/01/175369801.db2.gz CNAACCGNQQPZBY-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045380867 175369803 /nfs/dbraw/zinc/36/98/03/175369803.db2.gz CNAACCGNQQPZBY-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381845 175370022 /nfs/dbraw/zinc/37/00/22/175370022.db2.gz AXRBEVIQWVLNKW-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381845 175370023 /nfs/dbraw/zinc/37/00/23/175370023.db2.gz AXRBEVIQWVLNKW-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381301 175370356 /nfs/dbraw/zinc/37/03/56/175370356.db2.gz NLCZAXILAKGSEU-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381301 175370358 /nfs/dbraw/zinc/37/03/58/175370358.db2.gz NLCZAXILAKGSEU-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380880 175370441 /nfs/dbraw/zinc/37/04/41/175370441.db2.gz RLTZKVJHMSSYNZ-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045380880 175370443 /nfs/dbraw/zinc/37/04/43/175370443.db2.gz RLTZKVJHMSSYNZ-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381697 175370474 /nfs/dbraw/zinc/37/04/74/175370474.db2.gz ZONMHGKSQXMRCT-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381697 175370476 /nfs/dbraw/zinc/37/04/76/175370476.db2.gz ZONMHGKSQXMRCT-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C(C)C)C(=O)OC ZINC000045386032 175371654 /nfs/dbraw/zinc/37/16/54/175371654.db2.gz KSXOMIMIOXHMIW-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CCC)C(C)C)C(=O)OC ZINC000045386032 175371656 /nfs/dbraw/zinc/37/16/56/175371656.db2.gz KSXOMIMIOXHMIW-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045386952 175372756 /nfs/dbraw/zinc/37/27/56/175372756.db2.gz HZVRMNSEQZKXCV-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045386952 175372757 /nfs/dbraw/zinc/37/27/57/175372757.db2.gz HZVRMNSEQZKXCV-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387424 175373420 /nfs/dbraw/zinc/37/34/20/175373420.db2.gz VXIBQWZFQBYHMI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387424 175373421 /nfs/dbraw/zinc/37/34/21/175373421.db2.gz VXIBQWZFQBYHMI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045388008 175374074 /nfs/dbraw/zinc/37/40/74/175374074.db2.gz MSPWSACHXLMKFT-INIZCTEOSA-N 2 1 285.476 2.522 10 0 CFAEMP CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045391645 175374674 /nfs/dbraw/zinc/37/46/74/175374674.db2.gz AEKTVJHIVLZEMV-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC(CC)[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045391645 175374676 /nfs/dbraw/zinc/37/46/76/175374676.db2.gz AEKTVJHIVLZEMV-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)Cc2cccs2)C[C@@H]1C ZINC000071271031 176104185 /nfs/dbraw/zinc/10/41/85/176104185.db2.gz KVDIVQNPVHLCQX-OBJOEFQTSA-N 2 1 252.427 2.609 10 0 CFAEMP CC1(C)CCC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000261572599 276101565 /nfs/dbraw/zinc/10/15/65/276101565.db2.gz LTRNMQZJEVOZTJ-KKUMJFAQSA-N 2 1 250.430 2.872 10 0 CFAEMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCC1(F)F)CC2 ZINC000336198608 277042371 /nfs/dbraw/zinc/04/23/71/277042371.db2.gz JPHRWNDDJQRLQK-ZDUSSCGKSA-N 2 1 272.383 2.982 10 0 CFAEMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCC1(F)F)CC2 ZINC000336198608 277042373 /nfs/dbraw/zinc/04/23/73/277042373.db2.gz JPHRWNDDJQRLQK-ZDUSSCGKSA-N 2 1 272.383 2.982 10 0 CFAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108948 279321503 /nfs/dbraw/zinc/32/15/03/279321503.db2.gz QQOFYPUHBROKIV-RYUDHWBXSA-N 2 1 258.369 2.503 10 0 CFAEMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261940805 289002922 /nfs/dbraw/zinc/00/29/22/289002922.db2.gz MRQGKWSLTZGWGZ-GRYCIOLGSA-N 2 1 264.335 2.649 10 0 CFAEMP Brc1c[nH+]ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000159901056 518232303 /nfs/dbraw/zinc/23/23/03/518232303.db2.gz WQXYZPMVKIYBEU-JTQLQIEISA-N 2 1 284.201 2.646 10 0 CFAEMP CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261919659 519616643 /nfs/dbraw/zinc/61/66/43/519616643.db2.gz KEAGDIBXYAEJLM-OAGGEKHMSA-N 2 1 282.472 2.805 10 0 CFAEMP CC[NH2+]CCC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000052416562 519920033 /nfs/dbraw/zinc/92/00/33/519920033.db2.gz CMCCRQKACGELSJ-GFCCVEGCSA-N 2 1 252.427 2.884 10 0 CFAEMP CC[NH2+]C[C@]1(C[N@@H+](C)C(C)(C)CC)CCCOC1 ZINC000069443737 519983687 /nfs/dbraw/zinc/98/36/87/519983687.db2.gz OSAGRMPRTZVMAF-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000062740997 520306725 /nfs/dbraw/zinc/30/67/25/520306725.db2.gz AOWIJLNXERDABD-CQSZACIVSA-N 2 1 270.804 2.526 10 0 CFAEMP CCCC[N@@H+](CC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052418839 520477803 /nfs/dbraw/zinc/47/78/03/520477803.db2.gz WLPJVWNSLSUBMY-HUUCEWRRSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[N@H+](CC1CC1)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000069237093 520966883 /nfs/dbraw/zinc/96/68/83/520966883.db2.gz JRPZOCGKBHWQKP-WBMJQRKESA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@@H+](CC1CC1)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000069237093 520966892 /nfs/dbraw/zinc/96/68/92/520966892.db2.gz JRPZOCGKBHWQKP-WBMJQRKESA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)C(C)C ZINC000052446786 521289756 /nfs/dbraw/zinc/28/97/56/521289756.db2.gz ZKHZXFCWPSWVGS-UHFFFAOYSA-N 2 1 253.390 2.793 10 0 CFAEMP CCC(CC)[N@@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052478110 521543085 /nfs/dbraw/zinc/54/30/85/521543085.db2.gz ZEMVSCQXRTYWRR-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[NH+](C)Cc1cccc(NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000054241296 521930666 /nfs/dbraw/zinc/93/06/66/521930666.db2.gz QLCKGOWVVFZWGM-INIZCTEOSA-N 2 1 261.413 2.644 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052454104 521971539 /nfs/dbraw/zinc/97/15/39/521971539.db2.gz CBQHYWPRNGAHNJ-CYBMUJFWSA-N 2 1 267.417 2.898 10 0 CFAEMP CC(C)[N@@H+](C)CCCC[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000052206267 519616867 /nfs/dbraw/zinc/61/68/67/519616867.db2.gz WVFQNAYCNLKOPD-MRXNPFEDSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH+](C)CCCC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206267 519616872 /nfs/dbraw/zinc/61/68/72/519616872.db2.gz WVFQNAYCNLKOPD-MRXNPFEDSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH+](C)CCCC[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052206267 519616876 /nfs/dbraw/zinc/61/68/76/519616876.db2.gz WVFQNAYCNLKOPD-MRXNPFEDSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543562 519721264 /nfs/dbraw/zinc/72/12/64/519721264.db2.gz LGINZAADZAYGHI-KBPBESRZSA-N 2 1 256.434 2.652 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346138 519722555 /nfs/dbraw/zinc/72/25/55/519722555.db2.gz HYKAEQNSWAGWND-CYBMUJFWSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000052484492 519727196 /nfs/dbraw/zinc/72/71/96/519727196.db2.gz YLQYERUEHKHLFT-OAHLLOKOSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424445 519744790 /nfs/dbraw/zinc/74/47/90/519744790.db2.gz KDCZWQVYDSZYLZ-SFHVURJKSA-N 2 1 289.467 2.611 10 0 CFAEMP CC(C)[C@H](C[NH+](C)C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049194753 519815017 /nfs/dbraw/zinc/81/50/17/519815017.db2.gz ZGNROUKVCSUSCD-INIZCTEOSA-N 2 1 272.396 2.815 10 0 CFAEMP CCC1CCC([N@@H+](C)CC2(C[NH3+])CCOCC2)CC1 ZINC000052197836 519853294 /nfs/dbraw/zinc/85/32/94/519853294.db2.gz CAYOSPOMSUVVQU-UHFFFAOYSA-N 2 1 268.445 2.643 10 0 CFAEMP CCC[NH2+]CCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573189 519911736 /nfs/dbraw/zinc/91/17/36/519911736.db2.gz MLSXWYXNMNYWCV-JKSUJKDBSA-N 2 1 268.445 2.800 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181817 519912706 /nfs/dbraw/zinc/91/27/06/519912706.db2.gz MQSUVZUUEPVPBD-OAHLLOKOSA-N 2 1 268.445 2.515 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCCC[C@H]2CC)CCOCC1 ZINC000052181282 519913025 /nfs/dbraw/zinc/91/30/25/519913025.db2.gz QLQWJTQTGGKXOA-OAHLLOKOSA-N 2 1 268.445 2.657 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000052180864 519913776 /nfs/dbraw/zinc/91/37/76/519913776.db2.gz DLAMZPSYKAGSDR-UHFFFAOYSA-N 2 1 294.464 2.513 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000052180864 519913779 /nfs/dbraw/zinc/91/37/79/519913779.db2.gz DLAMZPSYKAGSDR-UHFFFAOYSA-N 2 1 294.464 2.513 10 0 CFAEMP CC[NH2+]CCCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372859 519919051 /nfs/dbraw/zinc/91/90/51/519919051.db2.gz YFLNFZPSTNZKRW-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418928 519920536 /nfs/dbraw/zinc/92/05/36/519920536.db2.gz ASQSZRAITSTPBX-QGZVFWFLSA-N 2 1 289.467 2.753 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2)O1 ZINC000052346046 519953197 /nfs/dbraw/zinc/95/31/97/519953197.db2.gz NMRCSFPKEQTSAN-DLBZAZTESA-N 2 1 276.424 2.584 10 0 CFAEMP CCC[NH2+]Cc1coc(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000052503358 519965807 /nfs/dbraw/zinc/96/58/07/519965807.db2.gz XWDLVRAJGCPFLC-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1coc(C[N@@H+](CCN(C)C)CC(C)C)c1 ZINC000052503358 519965817 /nfs/dbraw/zinc/96/58/17/519965817.db2.gz XWDLVRAJGCPFLC-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453279 519972734 /nfs/dbraw/zinc/97/27/34/519972734.db2.gz LZEWIPSCFZXFFT-ZDUSSCGKSA-N 2 1 268.426 2.717 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)[C@H](C)CC)c1 ZINC000052444142 520006992 /nfs/dbraw/zinc/00/69/92/520006992.db2.gz RQQYKRWYFRQPOE-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+][C@@H](C)CCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055065117 520071813 /nfs/dbraw/zinc/07/18/13/520071813.db2.gz XGYIKMDZDIQRGT-HOTGVXAUSA-N 2 1 269.477 2.571 10 0 CFAEMP CC[NH2+][C@@H](C)c1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049329493 520077880 /nfs/dbraw/zinc/07/78/80/520077880.db2.gz ASTZUKUPFRMDGN-ZDUSSCGKSA-N 2 1 273.380 2.941 10 0 CFAEMP CCC[NH2+][C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086822 520093566 /nfs/dbraw/zinc/09/35/66/520093566.db2.gz UNVRGTGVEOQSCR-XIRDDKMYSA-N 2 1 288.435 2.700 10 0 CFAEMP CCC[NH2+][C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086822 520093575 /nfs/dbraw/zinc/09/35/75/520093575.db2.gz UNVRGTGVEOQSCR-XIRDDKMYSA-N 2 1 288.435 2.700 10 0 CFAEMP CC[N@@H+](C)CCOc1ccccc1C[NH2+]CC(C)C ZINC000052446091 520241722 /nfs/dbraw/zinc/24/17/22/520241722.db2.gz WQKAWQYZFPJAOI-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052371483 520271945 /nfs/dbraw/zinc/27/19/45/520271945.db2.gz JVXAFKCHTVQJQA-MRXNPFEDSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000191487361 520607043 /nfs/dbraw/zinc/60/70/43/520607043.db2.gz DJSNUCFWLCAAHC-INIZCTEOSA-N 2 1 292.471 2.906 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000191487361 520607051 /nfs/dbraw/zinc/60/70/51/520607051.db2.gz DJSNUCFWLCAAHC-INIZCTEOSA-N 2 1 292.471 2.906 10 0 CFAEMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181887 520645583 /nfs/dbraw/zinc/64/55/83/520645583.db2.gz DKIILBSTWKNBSK-CQSZACIVSA-N 2 1 268.445 2.656 10 0 CFAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239564 521002922 /nfs/dbraw/zinc/00/29/22/521002922.db2.gz GWILIRQIONVEBC-QGZVFWFLSA-N 2 1 298.471 2.818 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239564 521002930 /nfs/dbraw/zinc/00/29/30/521002930.db2.gz GWILIRQIONVEBC-QGZVFWFLSA-N 2 1 298.471 2.818 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@H](C)CC[NH2+]C1CC1 ZINC000052573417 521562670 /nfs/dbraw/zinc/56/26/70/521562670.db2.gz LQSHCLJDCQGMBD-CYBMUJFWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669199 521563600 /nfs/dbraw/zinc/56/36/00/521563600.db2.gz ILNWDHGJCDMJOT-OAHLLOKOSA-N 2 1 292.423 2.538 10 0 CFAEMP CCc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052204675 521824060 /nfs/dbraw/zinc/82/40/60/521824060.db2.gz IFSHRWFLIKPJAA-DLBZAZTESA-N 2 1 258.409 2.965 10 0 CFAEMP CCc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052204675 521824071 /nfs/dbraw/zinc/82/40/71/521824071.db2.gz IFSHRWFLIKPJAA-DLBZAZTESA-N 2 1 258.409 2.965 10 0 CFAEMP CCc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052202785 521840544 /nfs/dbraw/zinc/84/05/44/521840544.db2.gz HHBLDPWBTCGOQN-AWEZNQCLSA-N 2 1 258.409 2.823 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181997 521971178 /nfs/dbraw/zinc/97/11/78/521971178.db2.gz HRTNYQROAJHXID-JKSUJKDBSA-N 2 1 280.456 2.515 10 0 CFAEMP C[NH2+]Cc1cc(C)c(OCCn2cc[nH+]c2C)c(C)c1 ZINC000049329388 522102721 /nfs/dbraw/zinc/10/27/21/522102721.db2.gz RADYQAPUCGAPJN-UHFFFAOYSA-N 2 1 273.380 2.607 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000052419100 522118207 /nfs/dbraw/zinc/11/82/07/522118207.db2.gz YZGSLRKNUAHYCL-UHFFFAOYSA-N 2 1 256.349 2.557 10 0 CFAEMP COCC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)[C@@H](C)C1CC1 ZINC000050953776 523697070 /nfs/dbraw/zinc/69/70/70/523697070.db2.gz VBNADXDZWUDUJM-HOCLYGCPSA-N 2 1 268.445 2.656 10 0 CFAEMP C[NH+]1CCC(n2c3ccc(N)cc3[nH+]c2C2CC2)CC1 ZINC000052852570 523784944 /nfs/dbraw/zinc/78/49/44/523784944.db2.gz KSRQNMCZVUGTEB-UHFFFAOYSA-N 2 1 270.380 2.763 10 0 CFAEMP C[N@H+]1CCCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052424416 523810690 /nfs/dbraw/zinc/81/06/90/523810690.db2.gz FLCZENJGLXXBDV-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052424416 523810695 /nfs/dbraw/zinc/81/06/95/523810695.db2.gz FLCZENJGLXXBDV-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052424416 523810698 /nfs/dbraw/zinc/81/06/98/523810698.db2.gz FLCZENJGLXXBDV-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CC[C@H](C)[N@@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547242 523939081 /nfs/dbraw/zinc/93/90/81/523939081.db2.gz LLODAOBNCVDMFU-KBPBESRZSA-N 2 1 258.450 2.758 10 0 CFAEMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053011060 523951524 /nfs/dbraw/zinc/95/15/24/523951524.db2.gz JCGRFYCMGMUKCS-KRWDZBQOSA-N 2 1 290.451 2.805 10 0 CFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000050563678 524233105 /nfs/dbraw/zinc/23/31/05/524233105.db2.gz ACXZESFTOMDWPK-VXGBXAGGSA-N 2 1 250.361 2.905 10 0 CFAEMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151245753 524461056 /nfs/dbraw/zinc/46/10/56/524461056.db2.gz QUMSCAYGORMREO-AEFFLSMTSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2sccc21 ZINC000061363757 525418611 /nfs/dbraw/zinc/41/86/11/525418611.db2.gz DNBQVSOZIQPMKP-NQBHXWOUSA-N 2 1 250.411 2.937 10 0 CFAEMP C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000052274876 525497116 /nfs/dbraw/zinc/49/71/16/525497116.db2.gz GEWWIYWLEGQRIO-RHSMWYFYSA-N 2 1 258.409 2.692 10 0 CFAEMP C[C@H](Nc1cc[nH+]cc1Br)[C@H]1CCC[NH2+]C1 ZINC000159892206 525673782 /nfs/dbraw/zinc/67/37/82/525673782.db2.gz SQEGAYZAPLZUGN-UWVGGRQHSA-N 2 1 284.201 2.644 10 0 CFAEMP c1ccc2c(c1)CC[N@H+](CCC[C@H]1CCCC[NH2+]1)C2 ZINC000050952387 526503354 /nfs/dbraw/zinc/50/33/54/526503354.db2.gz SZPUXZIRTIPMDV-QGZVFWFLSA-N 2 1 258.409 2.967 10 0 CFAEMP Cc1nc(C)c([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000054629417 526742522 /nfs/dbraw/zinc/74/25/22/526742522.db2.gz GUVNCYCHVDJZIH-NSNUZPRRSA-N 2 1 265.426 2.775 10 0 CFAEMP Cc1oc(C[N@H+]2CC[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484388 526773728 /nfs/dbraw/zinc/77/37/28/526773728.db2.gz AGVCZHJYEPREMV-LBPRGKRZSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH3+])cc1Br ZINC000061698350 527381027 /nfs/dbraw/zinc/38/10/27/527381027.db2.gz UCKPDFWPNFPFDZ-QMMMGPOBSA-N 2 1 280.169 2.963 10 0 CFAEMP [NH3+][C@H]1CCCCC[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000053863402 527394283 /nfs/dbraw/zinc/39/42/83/527394283.db2.gz BTEAMHWYUBWUBO-SJORKVTESA-N 2 1 258.409 2.952 10 0 CFAEMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(N)c1)C(C)C ZINC000049330774 527424283 /nfs/dbraw/zinc/42/42/83/527424283.db2.gz XRBGNSMLYTWMDC-UHFFFAOYSA-N 2 1 272.396 2.684 10 0 CFAEMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(N)c1)C(C)C ZINC000049330774 527424290 /nfs/dbraw/zinc/42/42/90/527424290.db2.gz XRBGNSMLYTWMDC-UHFFFAOYSA-N 2 1 272.396 2.684 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc2ccccc2c1C[NH3+] ZINC000049329529 527434869 /nfs/dbraw/zinc/43/48/69/527434869.db2.gz MFJZVQOHCNNMMD-UHFFFAOYSA-N 2 1 281.359 2.882 10 0 CFAEMP Nc1ccc(NCC[NH+]2CCCCC2)c2cc[nH+]cc12 ZINC000049574675 527494830 /nfs/dbraw/zinc/49/48/30/527494830.db2.gz NQRZHJJYWORCQQ-UHFFFAOYSA-N 2 1 270.380 2.715 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593669 545500505 /nfs/dbraw/zinc/50/05/05/545500505.db2.gz NAQQZLDJXYDLHP-MGPQQGTHSA-N 2 1 266.335 2.793 10 0 CFAEMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261578439 619172693 /nfs/dbraw/zinc/17/26/93/619172693.db2.gz OZDCXKTYZXGMPI-MNOVXSKESA-N 2 1 264.335 2.649 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252548118 651012238 /nfs/dbraw/zinc/01/22/38/651012238.db2.gz MFLVRVAEJZYPKJ-UYTYNIKBSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252548118 651012241 /nfs/dbraw/zinc/01/22/41/651012241.db2.gz MFLVRVAEJZYPKJ-UYTYNIKBSA-N 2 1 294.483 2.900 10 0 CFAEMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000503718626 282118881 /nfs/dbraw/zinc/11/88/81/282118881.db2.gz IBZLRHHUCPVRGU-XHSDSOJGSA-N 2 1 250.430 2.696 10 0 CFAEMP CC(C)[N@@H+](C)Cc1cncc2c1CC[NH+](CC1CC1)C2 ZINC000096067403 185085582 /nfs/dbraw/zinc/08/55/82/185085582.db2.gz ZPZRTLDOKZVSNF-UHFFFAOYSA-N 2 1 273.424 2.690 10 0 CFAEMP CC(C)[NH+](C)Cc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096067403 185085583 /nfs/dbraw/zinc/08/55/83/185085583.db2.gz ZPZRTLDOKZVSNF-UHFFFAOYSA-N 2 1 273.424 2.690 10 0 CFAEMP CC(C)[NH+](C)Cc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096067403 185085584 /nfs/dbraw/zinc/08/55/84/185085584.db2.gz ZPZRTLDOKZVSNF-UHFFFAOYSA-N 2 1 273.424 2.690 10 0 CFAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000503713192 282228454 /nfs/dbraw/zinc/22/84/54/282228454.db2.gz USNSOQNOYAKTBZ-BRWVUGGUSA-N 2 1 256.393 2.728 10 0 CFAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000503713192 282228455 /nfs/dbraw/zinc/22/84/55/282228455.db2.gz USNSOQNOYAKTBZ-BRWVUGGUSA-N 2 1 256.393 2.728 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817134 179344273 /nfs/dbraw/zinc/34/42/73/179344273.db2.gz ZRCFZQUEITZPBG-JKSUJKDBSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086817134 179344274 /nfs/dbraw/zinc/34/42/74/179344274.db2.gz ZRCFZQUEITZPBG-JKSUJKDBSA-N 2 1 269.477 2.571 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817133 179344585 /nfs/dbraw/zinc/34/45/85/179344585.db2.gz ZRCFZQUEITZPBG-HZPDHXFCSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086817133 179344587 /nfs/dbraw/zinc/34/45/87/179344587.db2.gz ZRCFZQUEITZPBG-HZPDHXFCSA-N 2 1 269.477 2.571 10 0 CFAEMP CCN(Cc1cccs1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847793 179356469 /nfs/dbraw/zinc/35/64/69/179356469.db2.gz RAOZZOSDKBWWLZ-MRXNPFEDSA-N 2 1 295.496 2.773 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848882 179357579 /nfs/dbraw/zinc/35/75/79/179357579.db2.gz QRIWDNMAUZEAKY-QGZVFWFLSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839284 179351288 /nfs/dbraw/zinc/35/12/88/179351288.db2.gz FLCZKTIVXOGOIV-GDBMZVCRSA-N 2 1 290.455 2.650 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837870 179352184 /nfs/dbraw/zinc/35/21/84/179352184.db2.gz GOUQBXZHTXLWPZ-AWEZNQCLSA-N 2 1 276.428 2.822 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845361 179354739 /nfs/dbraw/zinc/35/47/39/179354739.db2.gz XMVCXXRBZGQNIQ-UKRRQHHQSA-N 2 1 260.381 2.584 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845361 179354740 /nfs/dbraw/zinc/35/47/40/179354740.db2.gz XMVCXXRBZGQNIQ-UKRRQHHQSA-N 2 1 260.381 2.584 10 0 CFAEMP N[C@]12Cc3ccccc3[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225840948 348180328 /nfs/dbraw/zinc/18/03/28/348180328.db2.gz DDVSAHGGRSVPRQ-ROUUACIJSA-N 2 1 264.372 2.540 10 0 CFAEMP C[C@H]1C[C@H](Nc2cc[nH+]cc2N)C[N@H+]1Cc1ccccc1 ZINC000306581261 348389937 /nfs/dbraw/zinc/38/99/37/348389937.db2.gz OMTULPYBHFTGNT-ZFWWWQNUSA-N 2 1 282.391 2.739 10 0 CFAEMP CC[C@]1(C)C[C@@](C[NH3+])([NH2+]C2CCCCC2)CCO1 ZINC000087910924 179518505 /nfs/dbraw/zinc/51/85/05/179518505.db2.gz OZRARPHJZWATMJ-CABCVRRESA-N 2 1 254.418 2.585 10 0 CFAEMP Cc1[nH+]ccn1-c1ccc(C)c(C2CC[NH2+]CC2)c1 ZINC000091365824 180142186 /nfs/dbraw/zinc/14/21/86/180142186.db2.gz RZULHRREKBDNKN-UHFFFAOYSA-N 2 1 255.365 2.956 10 0 CFAEMP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455878 539883817 /nfs/dbraw/zinc/88/38/17/539883817.db2.gz MLGPTRBCHJTUMF-BXKDBHETSA-N 2 1 284.201 2.596 10 0 CFAEMP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455878 539883818 /nfs/dbraw/zinc/88/38/18/539883818.db2.gz MLGPTRBCHJTUMF-BXKDBHETSA-N 2 1 284.201 2.596 10 0 CFAEMP C[NH2+]CCOCCN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000630530980 355105030 /nfs/dbraw/zinc/10/50/30/355105030.db2.gz RPNCOJOOQCFIGJ-UHFFFAOYSA-N 2 1 293.798 2.560 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000631838670 355601968 /nfs/dbraw/zinc/60/19/68/355601968.db2.gz SNVUCSIJIHCHBK-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000631838670 355601970 /nfs/dbraw/zinc/60/19/70/355601970.db2.gz SNVUCSIJIHCHBK-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000380755289 540691146 /nfs/dbraw/zinc/69/11/46/540691146.db2.gz WMXMLYXGTFLFFP-WMLDXEAASA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000380755289 540691149 /nfs/dbraw/zinc/69/11/49/540691149.db2.gz WMXMLYXGTFLFFP-WMLDXEAASA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000380755288 540691330 /nfs/dbraw/zinc/69/13/30/540691330.db2.gz WMXMLYXGTFLFFP-RHSMWYFYSA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000380755288 540691332 /nfs/dbraw/zinc/69/13/32/540691332.db2.gz WMXMLYXGTFLFFP-RHSMWYFYSA-N 2 1 278.440 2.601 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000178295900 189103531 /nfs/dbraw/zinc/10/35/31/189103531.db2.gz HEYAFFOLYHHRHJ-CQSZACIVSA-N 2 1 290.798 2.905 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000178295900 189103532 /nfs/dbraw/zinc/10/35/32/189103532.db2.gz HEYAFFOLYHHRHJ-CQSZACIVSA-N 2 1 290.798 2.905 10 0 CFAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000179515870 189199182 /nfs/dbraw/zinc/19/91/82/189199182.db2.gz IXDFTCSEFYIEQW-CYBMUJFWSA-N 2 1 296.480 2.581 10 0 CFAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230371 189245327 /nfs/dbraw/zinc/24/53/27/189245327.db2.gz CTANBIMKIQBPBV-LSDHHAIUSA-N 2 1 276.424 2.682 10 0 CFAEMP CC(C)[NH2+][C@@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095088341 375410503 /nfs/dbraw/zinc/41/05/03/375410503.db2.gz VUNPAHLTIXBIGB-ROUUACIJSA-N 2 1 290.451 2.648 10 0 CFAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508137 190040154 /nfs/dbraw/zinc/04/01/54/190040154.db2.gz PYTOABHAZVOTRP-DGCLKSJQSA-N 2 1 272.314 2.527 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000119285180 376385108 /nfs/dbraw/zinc/38/51/08/376385108.db2.gz KYUIQRQSEQSKIN-HNNXBMFYSA-N 2 1 277.412 2.509 10 0 CFAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(C)(C)O)CC1 ZINC000264414639 190107961 /nfs/dbraw/zinc/10/79/61/190107961.db2.gz HDDUZOJQBWCTAW-UHFFFAOYSA-N 2 1 290.451 2.601 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000129703839 377463981 /nfs/dbraw/zinc/46/39/81/377463981.db2.gz TYZMBFIITPYLAN-UMVBOHGHSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000129703839 377463988 /nfs/dbraw/zinc/46/39/88/377463988.db2.gz TYZMBFIITPYLAN-UMVBOHGHSA-N 2 1 260.381 2.583 10 0 CFAEMP Cc1csc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000130932078 377633263 /nfs/dbraw/zinc/63/32/63/377633263.db2.gz AVSXLDJFKKJYBL-CYBMUJFWSA-N 2 1 288.420 2.781 10 0 CFAEMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172066319 379480796 /nfs/dbraw/zinc/48/07/96/379480796.db2.gz RHWXDSMMESCZAV-DOTOQJQBSA-N 2 1 260.425 2.891 10 0 CFAEMP C[C@@H](CCN[C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638724 382507752 /nfs/dbraw/zinc/50/77/52/382507752.db2.gz ALDYBHYSMBKHOZ-WMZOPIPTSA-N 2 1 289.467 2.629 10 0 CFAEMP C[C@@H](CC[NH2+][C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638724 382507757 /nfs/dbraw/zinc/50/77/57/382507757.db2.gz ALDYBHYSMBKHOZ-WMZOPIPTSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@@H](CC[NH2+][C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638724 382507761 /nfs/dbraw/zinc/50/77/61/382507761.db2.gz ALDYBHYSMBKHOZ-WMZOPIPTSA-N 3 1 289.467 2.629 10 0 CFAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1coc3ccccc13)C2 ZINC000328624793 382557083 /nfs/dbraw/zinc/55/70/83/382557083.db2.gz COOJPJAUIQSVFU-CYBMUJFWSA-N 2 1 281.359 2.982 10 0 CFAEMP CSCC1CCC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000385419376 382569484 /nfs/dbraw/zinc/56/94/84/382569484.db2.gz IVUDBKOAJVOFKX-XSCHDIRWSA-N 2 1 270.486 2.825 10 0 CFAEMP COc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388342236 382606428 /nfs/dbraw/zinc/60/64/28/382606428.db2.gz XOVHXVAVJCWELE-DVOMOZLQSA-N 2 1 262.397 2.673 10 0 CFAEMP C[C@H](Cc1ccsc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000575106076 382727183 /nfs/dbraw/zinc/72/71/83/382727183.db2.gz QEOLFMRVGUUYQC-YRGRVCCFSA-N 2 1 252.427 2.596 10 0 CFAEMP C=Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cn1 ZINC000193855552 382727288 /nfs/dbraw/zinc/72/72/88/382727288.db2.gz BVJADHNUZPBGOP-OAHLLOKOSA-N 2 1 297.406 2.621 10 0 CFAEMP C=Cn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000193855552 382727290 /nfs/dbraw/zinc/72/72/90/382727290.db2.gz BVJADHNUZPBGOP-OAHLLOKOSA-N 2 1 297.406 2.621 10 0 CFAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000195258926 382765021 /nfs/dbraw/zinc/76/50/21/382765021.db2.gz OVVNUNKTUZVGDR-LQPUYASZSA-N 2 1 299.871 2.958 10 0 CFAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195258926 382765023 /nfs/dbraw/zinc/76/50/23/382765023.db2.gz OVVNUNKTUZVGDR-LQPUYASZSA-N 2 1 299.871 2.958 10 0 CFAEMP C[NH2+]CCC[N@@H+](C)CCCSc1ccccc1 ZINC000224229181 382809971 /nfs/dbraw/zinc/80/99/71/382809971.db2.gz HXXVGCDRLXRCPY-UHFFFAOYSA-N 2 1 252.427 2.710 10 0 CFAEMP C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000231455851 382865129 /nfs/dbraw/zinc/86/51/29/382865129.db2.gz ZIZJCFWLVDIQMN-INIZCTEOSA-N 2 1 269.392 2.809 10 0 CFAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423387882 383077453 /nfs/dbraw/zinc/07/74/53/383077453.db2.gz KHRMEWAOUCASCI-FVQBIDKESA-N 2 1 276.424 2.568 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998257 383453813 /nfs/dbraw/zinc/45/38/13/383453813.db2.gz CQDRXPCHCPUHNG-AAEUAGOBSA-N 2 1 252.789 2.675 10 0 CFAEMP CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261539828 383508784 /nfs/dbraw/zinc/50/87/84/383508784.db2.gz BPWDLODGXCRAHU-ZDUSSCGKSA-N 2 1 250.411 2.712 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000261578445 383518163 /nfs/dbraw/zinc/51/81/63/383518163.db2.gz OZEGFFIORZEHDM-UHIISALHSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000261578445 383518170 /nfs/dbraw/zinc/51/81/70/383518170.db2.gz OZEGFFIORZEHDM-UHIISALHSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594378 383524067 /nfs/dbraw/zinc/52/40/67/383524067.db2.gz NNVFIOHJQFMVML-MHOHDPQLSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594378 383524074 /nfs/dbraw/zinc/52/40/74/383524074.db2.gz NNVFIOHJQFMVML-MHOHDPQLSA-N 2 1 266.335 2.695 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261876414 383573939 /nfs/dbraw/zinc/57/39/39/383573939.db2.gz ZTQMTLAULHEPTP-USXIJHARSA-N 2 1 274.408 2.645 10 0 CFAEMP CSc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261956280 383585503 /nfs/dbraw/zinc/58/55/03/383585503.db2.gz OSIBOAGPUFRLKA-CYBMUJFWSA-N 2 1 264.438 2.840 10 0 CFAEMP CSc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261956280 383585508 /nfs/dbraw/zinc/58/55/08/383585508.db2.gz OSIBOAGPUFRLKA-CYBMUJFWSA-N 2 1 264.438 2.840 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]12 ZINC000261956353 383586322 /nfs/dbraw/zinc/58/63/22/383586322.db2.gz OSVDCODKMVQCMV-MVWJERBFSA-N 2 1 291.395 2.605 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]12 ZINC000261956353 383586326 /nfs/dbraw/zinc/58/63/26/383586326.db2.gz OSVDCODKMVQCMV-MVWJERBFSA-N 2 1 291.395 2.605 10 0 CFAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000262017749 383595225 /nfs/dbraw/zinc/59/52/25/383595225.db2.gz WHNNHSJZMHCHBH-KURKYZTESA-N 2 1 288.435 2.550 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262033207 383597576 /nfs/dbraw/zinc/59/75/76/383597576.db2.gz XQYUGTLICXTTSD-UUAJXVIYSA-N 2 1 280.456 2.559 10 0 CFAEMP Cc1cccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038271 383598728 /nfs/dbraw/zinc/59/87/28/383598728.db2.gz XYUKRGVUQBYGQQ-WBVHZDCISA-N 2 1 258.409 2.784 10 0 CFAEMP Cc1csc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000262227401 383612350 /nfs/dbraw/zinc/61/23/50/383612350.db2.gz NLTVKYUJODIIRG-CQSZACIVSA-N 2 1 279.453 2.978 10 0 CFAEMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000262570031 383627562 /nfs/dbraw/zinc/62/75/62/383627562.db2.gz XIHWHMRSTXUQCF-USXIJHARSA-N 2 1 297.402 2.819 10 0 CFAEMP CSCCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279839 393736750 /nfs/dbraw/zinc/73/67/50/393736750.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279839 393736753 /nfs/dbraw/zinc/73/67/53/393736753.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279839 393736757 /nfs/dbraw/zinc/73/67/57/393736757.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279839 393736760 /nfs/dbraw/zinc/73/67/60/393736760.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279839 393736763 /nfs/dbraw/zinc/73/67/63/393736763.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222815 397539478 /nfs/dbraw/zinc/53/94/78/397539478.db2.gz WYBLVYSWJKIGBF-HYVNUMGLSA-N 2 1 256.393 2.733 10 0 CFAEMP CC(C)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334934 413253448 /nfs/dbraw/zinc/25/34/48/413253448.db2.gz VSJHXEGMCCQCJF-FUHWJXTLSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334934 413253459 /nfs/dbraw/zinc/25/34/59/413253459.db2.gz VSJHXEGMCCQCJF-FUHWJXTLSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334934 413253466 /nfs/dbraw/zinc/25/34/66/413253466.db2.gz VSJHXEGMCCQCJF-FUHWJXTLSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334934 413253478 /nfs/dbraw/zinc/25/34/78/413253478.db2.gz VSJHXEGMCCQCJF-FUHWJXTLSA-N 2 1 290.451 2.600 10 0 CFAEMP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000344345461 162018014 /nfs/dbraw/zinc/01/80/14/162018014.db2.gz GOIWGSWEPSCEIT-OYADATRGSA-N 2 1 285.366 2.888 10 0 CFAEMP C[N@@H+](CCC[NH2+]C[C@H]1CCCCO1)Cc1ccccc1 ZINC000035151475 172014381 /nfs/dbraw/zinc/01/43/81/172014381.db2.gz AYJYDSUCQUIXHX-QGZVFWFLSA-N 2 1 276.424 2.667 10 0 CFAEMP [NH3+]C[C@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731339 172381658 /nfs/dbraw/zinc/38/16/58/172381658.db2.gz TZORIVMQWQYMKU-GOSISDBHSA-N 2 1 266.388 2.787 10 0 CFAEMP C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@H]1CCC[N@H+]1C ZINC000040240637 174213475 /nfs/dbraw/zinc/21/34/75/174213475.db2.gz WIJIGWCFQGCJIY-DGCLKSJQSA-N 2 1 266.360 2.709 10 0 CFAEMP Cc1nc2sccn2c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622949 174355991 /nfs/dbraw/zinc/35/59/91/174355991.db2.gz CIKXYEPGIDNCRB-ZDUSSCGKSA-N 2 1 292.452 2.524 10 0 CFAEMP Cc1nc2sccn2c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622949 174355992 /nfs/dbraw/zinc/35/59/92/174355992.db2.gz CIKXYEPGIDNCRB-ZDUSSCGKSA-N 2 1 292.452 2.524 10 0 CFAEMP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040668681 174367436 /nfs/dbraw/zinc/36/74/36/174367436.db2.gz FWTZZAXRDBVBSW-XMTFNYHQSA-N 2 1 295.515 2.817 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735911 174388997 /nfs/dbraw/zinc/38/89/97/174388997.db2.gz QHNUSNYQGXYVTC-ZBFHGGJFSA-N 2 1 276.424 2.645 10 0 CFAEMP CC[N@@H+](CCOc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748214 174393424 /nfs/dbraw/zinc/39/34/24/174393424.db2.gz ZSVLFVMLPOXRKL-SJPCQFCGSA-N 2 1 288.435 2.979 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Br ZINC000040749377 174394167 /nfs/dbraw/zinc/39/41/67/174394167.db2.gz OCLYDGRAROEUFY-YHWZYXNKSA-N 2 1 295.224 2.903 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Br ZINC000040749377 174394168 /nfs/dbraw/zinc/39/41/68/174394168.db2.gz OCLYDGRAROEUFY-YHWZYXNKSA-N 2 1 295.224 2.903 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ncccc2c1 ZINC000040750375 174395081 /nfs/dbraw/zinc/39/50/81/174395081.db2.gz OJIFTCZTCPZXPR-MQVJKMGUSA-N 2 1 267.376 2.689 10 0 CFAEMP Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000043480114 175055640 /nfs/dbraw/zinc/05/56/40/175055640.db2.gz OUHDQSPEZPIHGF-LBPRGKRZSA-N 2 1 280.799 2.620 10 0 CFAEMP Cc1occc1C[N@@H+](C)CCC[C@@H]1CCC[NH2+]C1 ZINC000043591996 175074298 /nfs/dbraw/zinc/07/42/98/175074298.db2.gz RINXPWXYSFZARD-AWEZNQCLSA-N 2 1 250.386 2.800 10 0 CFAEMP CCc1ccc([C@H]([NH2+]C)[C@@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000043818259 175112948 /nfs/dbraw/zinc/11/29/48/175112948.db2.gz NCKUOYTWEXJKFW-CRAIPNDOSA-N 2 1 289.467 2.536 10 0 CFAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1c(C)cc(C)cc1C ZINC000043818156 175113155 /nfs/dbraw/zinc/11/31/55/175113155.db2.gz NVCAGDJKZNYFCW-KRWDZBQOSA-N 2 1 289.467 2.510 10 0 CFAEMP CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000043818265 175113441 /nfs/dbraw/zinc/11/34/41/175113441.db2.gz NCKUOYTWEXJKFW-YJBOKZPZSA-N 2 1 289.467 2.536 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CCC)C1CC1)OCCO2 ZINC000043885741 175116714 /nfs/dbraw/zinc/11/67/14/175116714.db2.gz UHETWDIEAOMZKH-CVEARBPZSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CCC)C1CC1)OCCO2 ZINC000043885741 175116715 /nfs/dbraw/zinc/11/67/15/175116715.db2.gz UHETWDIEAOMZKH-CVEARBPZSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889825 175117475 /nfs/dbraw/zinc/11/74/75/175117475.db2.gz YTAZHXLECJFGBA-JYJNAYRXSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889825 175117476 /nfs/dbraw/zinc/11/74/76/175117476.db2.gz YTAZHXLECJFGBA-JYJNAYRXSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[NH+]1CCC(OCC)CC1 ZINC000043907086 175123397 /nfs/dbraw/zinc/12/33/97/175123397.db2.gz OZPCLRXEGNICIW-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H](C[NH+]1CCC(OCC)CC1)C(C)(C)C ZINC000043907506 175123511 /nfs/dbraw/zinc/12/35/11/175123511.db2.gz XBYMYJZMSPQUEL-HNNXBMFYSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966934 175127951 /nfs/dbraw/zinc/12/79/51/175127951.db2.gz HKJTXIRPWWSDIX-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966934 175127953 /nfs/dbraw/zinc/12/79/53/175127953.db2.gz HKJTXIRPWWSDIX-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+](CC)CCOC ZINC000043968587 175129879 /nfs/dbraw/zinc/12/98/79/175129879.db2.gz VSYIJKKNFVYMII-CQSZACIVSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969413 175130171 /nfs/dbraw/zinc/13/01/71/175130171.db2.gz FIDCCLPYJOXJDW-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969413 175130173 /nfs/dbraw/zinc/13/01/73/175130173.db2.gz FIDCCLPYJOXJDW-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP C[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970228 175130951 /nfs/dbraw/zinc/13/09/51/175130951.db2.gz XKRIXQGAQZQQQE-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](CCOC)[C@@H](C)CC ZINC000043973431 175132683 /nfs/dbraw/zinc/13/26/83/175132683.db2.gz PVBMUORTHQMPAK-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CCOC)[C@@H](C)CC ZINC000043973431 175132684 /nfs/dbraw/zinc/13/26/84/175132684.db2.gz PVBMUORTHQMPAK-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981302 175134034 /nfs/dbraw/zinc/13/40/34/175134034.db2.gz GCWRBMCBPNWNHX-QPSCCSFWSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981302 175134035 /nfs/dbraw/zinc/13/40/35/175134035.db2.gz GCWRBMCBPNWNHX-QPSCCSFWSA-N 2 1 256.434 2.510 10 0 CFAEMP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)n1cc[nH+]c1C ZINC000043994509 175136174 /nfs/dbraw/zinc/13/61/74/175136174.db2.gz UGPSOGOEXBCFNX-ABAIWWIYSA-N 2 1 259.353 2.722 10 0 CFAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OC(C)C)cc1 ZINC000043994521 175136392 /nfs/dbraw/zinc/13/63/92/175136392.db2.gz GRMHEGAVPYMCPL-INIZCTEOSA-N 2 1 273.380 2.939 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000043994222 175136547 /nfs/dbraw/zinc/13/65/47/175136547.db2.gz SOLPUKVDPFZGOZ-OAHLLOKOSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000043994220 175136696 /nfs/dbraw/zinc/13/66/96/175136696.db2.gz SOLPUKVDPFZGOZ-HNNXBMFYSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[NH2+][C@H]1c2ccccc2C[C@@H]1n1cc[nH+]c1CC ZINC000044036890 175139963 /nfs/dbraw/zinc/13/99/63/175139963.db2.gz NMIUILZDQMINBP-HOCLYGCPSA-N 2 1 255.365 2.894 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000044172648 175149558 /nfs/dbraw/zinc/14/95/58/175149558.db2.gz SDEXZHIRYHPMHS-SFHVURJKSA-N 2 1 290.451 2.753 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000044172648 175149561 /nfs/dbraw/zinc/14/95/61/175149561.db2.gz SDEXZHIRYHPMHS-SFHVURJKSA-N 2 1 290.451 2.753 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCSc3ccccc32)C1 ZINC000044527882 175192760 /nfs/dbraw/zinc/19/27/60/175192760.db2.gz KRBBTTXOFCKEAU-TZMCWYRMSA-N 2 1 262.422 2.894 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000044528083 175192963 /nfs/dbraw/zinc/19/29/63/175192963.db2.gz DIVCPDQHYCTOMJ-BXUZGUMPSA-N 2 1 250.411 2.870 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529784 175193860 /nfs/dbraw/zinc/19/38/60/175193860.db2.gz QLAVGNQVKKVVDS-CWJHNBGESA-N 2 1 262.441 2.874 10 0 CFAEMP COc1cccc(C[NH2+]CCCC[N@@H+](C)C(C)C)c1 ZINC000044573238 175210230 /nfs/dbraw/zinc/21/02/30/175210230.db2.gz ZJASXTKZEFNEEY-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660207 175226233 /nfs/dbraw/zinc/22/62/33/175226233.db2.gz ZNPKNFXVQUADKA-YALNPMBYSA-N 2 1 258.409 2.720 10 0 CFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000044674833 175226999 /nfs/dbraw/zinc/22/69/99/175226999.db2.gz SVZBNHWYHXEAAQ-SLUKUZTOSA-N 2 1 256.393 2.757 10 0 CFAEMP [NH3+][C@@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675792 175227207 /nfs/dbraw/zinc/22/72/07/175227207.db2.gz YGKIGFDLESUMLI-KZNAEPCWSA-N 2 1 266.388 2.702 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690776 175233377 /nfs/dbraw/zinc/23/33/77/175233377.db2.gz SJKIZFIUYPRHAD-ZNMIVQPWSA-N 2 1 256.434 2.512 10 0 CFAEMP C[N@@H+](CCCC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068493 175300031 /nfs/dbraw/zinc/30/00/31/175300031.db2.gz LRNMRJLJKUYOTP-UHFFFAOYSA-N 2 1 291.439 2.842 10 0 CFAEMP CSCC[C@@H](CN)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071062 175301368 /nfs/dbraw/zinc/30/13/68/175301368.db2.gz FBYSSRWQXHPFQN-UONOGXRCSA-N 2 1 256.459 2.721 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1C ZINC000045172564 175322004 /nfs/dbraw/zinc/32/20/04/175322004.db2.gz BVVFLBJRMATFSP-VXGBXAGGSA-N 2 1 266.433 2.511 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377989 175367827 /nfs/dbraw/zinc/36/78/27/175367827.db2.gz BQHHIHCVJDIVFC-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045377989 175367828 /nfs/dbraw/zinc/36/78/28/175367828.db2.gz BQHHIHCVJDIVFC-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379576 175368148 /nfs/dbraw/zinc/36/81/48/175368148.db2.gz JNKPSXFCAHLJOH-OFQRWUPVSA-N 2 1 284.444 2.700 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385508 175372240 /nfs/dbraw/zinc/37/22/40/175372240.db2.gz AAPLFXWJBYLKFR-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385508 175372242 /nfs/dbraw/zinc/37/22/42/175372242.db2.gz AAPLFXWJBYLKFR-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045388149 175373649 /nfs/dbraw/zinc/37/36/49/175373649.db2.gz GXRFFCYAJKTYLF-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045388149 175373650 /nfs/dbraw/zinc/37/36/50/175373650.db2.gz GXRFFCYAJKTYLF-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OCC)C1CC1 ZINC000045387648 175374279 /nfs/dbraw/zinc/37/42/79/175374279.db2.gz ICOAAKFINGELBY-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OCC)C1CC1 ZINC000045387648 175374280 /nfs/dbraw/zinc/37/42/80/175374280.db2.gz ICOAAKFINGELBY-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C(CC)CC)[NH2+]C ZINC000045391422 175374512 /nfs/dbraw/zinc/37/45/12/175374512.db2.gz KGZVXEMPPPGFAY-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C(CC)CC)[NH2+]C ZINC000045391422 175374513 /nfs/dbraw/zinc/37/45/13/175374513.db2.gz KGZVXEMPPPGFAY-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045419147 175377562 /nfs/dbraw/zinc/37/75/62/175377562.db2.gz ONVBASFMPIZIFS-QGZVFWFLSA-N 2 1 297.487 2.665 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C ZINC000045421021 175380248 /nfs/dbraw/zinc/38/02/48/175380248.db2.gz OMNUDHPWLGTPFU-XJKSGUPXSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C ZINC000045421021 175380249 /nfs/dbraw/zinc/38/02/49/175380249.db2.gz OMNUDHPWLGTPFU-XJKSGUPXSA-N 2 1 286.460 2.674 10 0 CFAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420999 175380328 /nfs/dbraw/zinc/38/03/28/175380328.db2.gz KJAMJOHCCLOMLZ-YOEHRIQHSA-N 2 1 299.503 2.765 10 0 CFAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190411 176066315 /nfs/dbraw/zinc/06/63/15/176066315.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP C[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190411 176066316 /nfs/dbraw/zinc/06/63/16/176066316.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1cccc(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190411 176066317 /nfs/dbraw/zinc/06/63/17/176066317.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1cccc(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190411 176066319 /nfs/dbraw/zinc/06/63/19/176066319.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 2 1 297.240 2.833 10 0 CFAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267691 176101314 /nfs/dbraw/zinc/10/13/14/176101314.db2.gz DSNHVYLGBACFNI-SNVBAGLBSA-N 2 1 251.349 2.730 10 0 CFAEMP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000071344218 176130819 /nfs/dbraw/zinc/13/08/19/176130819.db2.gz YCCZTHXNZKSHHI-AWEZNQCLSA-N 2 1 261.413 2.600 10 0 CFAEMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000071344218 176130821 /nfs/dbraw/zinc/13/08/21/176130821.db2.gz YCCZTHXNZKSHHI-AWEZNQCLSA-N 2 1 261.413 2.600 10 0 CFAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000071401681 176153770 /nfs/dbraw/zinc/15/37/70/176153770.db2.gz FSJKCCFUIULELL-CABCVRRESA-N 2 1 264.438 2.904 10 0 CFAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000191786561 276096140 /nfs/dbraw/zinc/09/61/40/276096140.db2.gz NTCYGZXZNRYDCN-MRXNPFEDSA-N 2 1 278.444 2.560 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000191786561 276096142 /nfs/dbraw/zinc/09/61/42/276096142.db2.gz NTCYGZXZNRYDCN-MRXNPFEDSA-N 2 1 278.444 2.560 10 0 CFAEMP CCC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261933443 276221955 /nfs/dbraw/zinc/22/19/55/276221955.db2.gz LWOXMRAGQIXXQM-YXYCDRMUSA-N 2 1 294.483 2.950 10 0 CFAEMP CC1(C)CCC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000261572601 278196473 /nfs/dbraw/zinc/19/64/73/278196473.db2.gz LTRNMQZJEVOZTJ-RRFJBIMHSA-N 2 1 250.430 2.872 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC000106124306 278289369 /nfs/dbraw/zinc/28/93/69/278289369.db2.gz YAMIXTYQCZDONP-HNNXBMFYSA-N 2 1 282.472 2.591 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000105862255 278395841 /nfs/dbraw/zinc/39/58/41/278395841.db2.gz YGKRNQIXJCVJIC-CVEARBPZSA-N 2 1 290.451 2.772 10 0 CFAEMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1[NH3+] ZINC000261551191 279886024 /nfs/dbraw/zinc/88/60/24/279886024.db2.gz SZULWFHHNUGVBB-JOYOIKCWSA-N 2 1 261.756 2.672 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646868 290016396 /nfs/dbraw/zinc/01/63/96/290016396.db2.gz FAQYRDIHJYOESZ-UAGQMJEPSA-N 2 1 274.408 2.645 10 0 CFAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061698349 527378349 /nfs/dbraw/zinc/37/83/49/527378349.db2.gz UCKPDFWPNFPFDZ-MRVPVSSYSA-N 2 1 280.169 2.963 10 0 CFAEMP CC(C)CCOCC[N@@H+](CCC[NH3+])C1CCCC1 ZINC000049265187 519665601 /nfs/dbraw/zinc/66/56/01/519665601.db2.gz QLCXRSZKQQKOAA-UHFFFAOYSA-N 2 1 256.434 2.643 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@H+](C)Cc2cccs2)CCOCC1 ZINC000052181573 519719922 /nfs/dbraw/zinc/71/99/22/519719922.db2.gz PFQMGPNYMSHNKV-UHFFFAOYSA-N 2 1 296.480 2.975 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2cccs2)CCOCC1 ZINC000052181573 519719923 /nfs/dbraw/zinc/71/99/23/519719923.db2.gz PFQMGPNYMSHNKV-UHFFFAOYSA-N 2 1 296.480 2.975 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181348 519719994 /nfs/dbraw/zinc/71/99/94/519719994.db2.gz UCYGFRYMZIAQLG-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)CCC(C)C)CCOCC1 ZINC000052197844 519909509 /nfs/dbraw/zinc/90/95/09/519909509.db2.gz GOBMDODUJUROPQ-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181739 519910144 /nfs/dbraw/zinc/91/01/44/519910144.db2.gz YZEOVXKIVNPTQY-OAHLLOKOSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)CC(C)C)O1 ZINC000052449897 519924794 /nfs/dbraw/zinc/92/47/94/519924794.db2.gz HLZXKNBODYIDHG-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@@H+](CC)[C@H](C)COC ZINC000052504830 519973898 /nfs/dbraw/zinc/97/38/98/519973898.db2.gz HSWPPOSGNANXFT-CYBMUJFWSA-N 2 1 268.401 2.636 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCCC[C@@H]2CC)on1 ZINC000052447556 519987805 /nfs/dbraw/zinc/98/78/05/519987805.db2.gz DGOQDUVUANWXJH-ZDUSSCGKSA-N 2 1 251.374 2.549 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+](C)C[C@H](C)CC)cs1 ZINC000052453752 520020799 /nfs/dbraw/zinc/02/07/99/520020799.db2.gz LIWQPKFOVOMTJU-LLVKDONJSA-N 2 1 255.431 2.731 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](C)C[C@H](C)CC)cs1 ZINC000052453752 520020808 /nfs/dbraw/zinc/02/08/08/520020808.db2.gz LIWQPKFOVOMTJU-LLVKDONJSA-N 2 1 255.431 2.731 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+](CC)CC(C)C)cs1 ZINC000052449386 520021347 /nfs/dbraw/zinc/02/13/47/520021347.db2.gz DPZAOTBVPVMXAE-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](CC)CC(C)C)cs1 ZINC000052449386 520021354 /nfs/dbraw/zinc/02/13/54/520021354.db2.gz DPZAOTBVPVMXAE-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CCC(CC)[N@H+](CCOC)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052573286 521560691 /nfs/dbraw/zinc/56/06/91/521560691.db2.gz DHANXGPBPVKNHL-ZDUSSCGKSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052573286 521560706 /nfs/dbraw/zinc/56/07/06/521560706.db2.gz DHANXGPBPVKNHL-ZDUSSCGKSA-N 2 1 258.450 2.900 10 0 CFAEMP C[NH2+]Cc1oc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000052420954 522162236 /nfs/dbraw/zinc/16/22/36/522162236.db2.gz CXXQXVFNVORKDN-TXEJJXNPSA-N 2 1 250.386 2.785 10 0 CFAEMP CC(C)[N@@H+](C)CCCC[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000052206265 519616248 /nfs/dbraw/zinc/61/62/48/519616248.db2.gz WVFQNAYCNLKOPD-INIZCTEOSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH+](C)CCCC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206265 519616250 /nfs/dbraw/zinc/61/62/50/519616250.db2.gz WVFQNAYCNLKOPD-INIZCTEOSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH+](C)CCCC[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052206265 519616251 /nfs/dbraw/zinc/61/62/51/519616251.db2.gz WVFQNAYCNLKOPD-INIZCTEOSA-N 3 1 269.477 2.571 10 0 CFAEMP CC(C)[NH2+]C[C@@H](OCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000052672819 519723074 /nfs/dbraw/zinc/72/30/74/519723074.db2.gz LPVWBHGSRYAFSY-HUUCEWRRSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccsc2)O1 ZINC000052457397 519723440 /nfs/dbraw/zinc/72/34/40/519723440.db2.gz XVANJICQIABFPW-GJZGRUSLSA-N 2 1 282.453 2.726 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC(C)(C)C)O1 ZINC000052570189 519725065 /nfs/dbraw/zinc/72/50/65/519725065.db2.gz VBDWELGMNCYRHL-KGLIPLIRSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+](C)Cc2ccco2)CCOCC1 ZINC000052181563 519742891 /nfs/dbraw/zinc/74/28/91/519742891.db2.gz PEZOODOBZXKMBC-UHFFFAOYSA-N 2 1 294.439 2.754 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000052181563 519742893 /nfs/dbraw/zinc/74/28/93/519742893.db2.gz PEZOODOBZXKMBC-UHFFFAOYSA-N 2 1 294.439 2.754 10 0 CFAEMP CC(C)C[NH2+]CCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503258 519743411 /nfs/dbraw/zinc/74/34/11/519743411.db2.gz BVKLAXDWSMQTBT-UHFFFAOYSA-N 2 1 271.493 2.532 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052452984 519744607 /nfs/dbraw/zinc/74/46/07/519744607.db2.gz XOCWCZCMRVVTMI-KGLIPLIRSA-N 2 1 258.475 2.694 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052452984 519744608 /nfs/dbraw/zinc/74/46/08/519744608.db2.gz XOCWCZCMRVVTMI-KGLIPLIRSA-N 2 1 258.475 2.694 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444990 519745271 /nfs/dbraw/zinc/74/52/71/519745271.db2.gz GHBWGTONNBGERF-JKSUJKDBSA-N 2 1 268.445 2.654 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417547 519746074 /nfs/dbraw/zinc/74/60/74/519746074.db2.gz MDTLGPDFWUFLCE-MSOLQXFVSA-N 2 1 290.451 2.912 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000052375552 519748497 /nfs/dbraw/zinc/74/84/97/519748497.db2.gz JXCQPMSGUXXLEU-LBPRGKRZSA-N 2 1 267.442 2.873 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@H+]2CCC[C@@H]2C)cs1 ZINC000052375552 519748499 /nfs/dbraw/zinc/74/84/99/519748499.db2.gz JXCQPMSGUXXLEU-LBPRGKRZSA-N 2 1 267.442 2.873 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180693 519909965 /nfs/dbraw/zinc/90/99/65/519909965.db2.gz BTUXZYDPHXMBNF-OAHLLOKOSA-N 2 1 268.445 2.657 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)C(CC)CC)CCOCC1 ZINC000052181718 519911550 /nfs/dbraw/zinc/91/15/50/519911550.db2.gz JAXSJHODKWEIFN-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]CCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416922 519912461 /nfs/dbraw/zinc/91/24/61/519912461.db2.gz NMGKWYUIZLEVTP-GOSISDBHSA-N 2 1 289.467 2.755 10 0 CFAEMP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052510491 519920311 /nfs/dbraw/zinc/92/03/11/519920311.db2.gz KHVZACHMLIVFOI-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@@H](C(C)C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000052510491 519920306 /nfs/dbraw/zinc/92/03/06/519920306.db2.gz KHVZACHMLIVFOI-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000052542238 519929550 /nfs/dbraw/zinc/92/95/50/519929550.db2.gz GXJSXNKRXYOWKQ-AWEZNQCLSA-N 2 1 264.413 2.763 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1OC ZINC000052542238 519929556 /nfs/dbraw/zinc/92/95/56/519929556.db2.gz GXJSXNKRXYOWKQ-AWEZNQCLSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376262 519943411 /nfs/dbraw/zinc/94/34/11/519943411.db2.gz GXXRJJRMMRJOLE-OAHLLOKOSA-N 2 1 289.467 2.671 10 0 CFAEMP CCC[NH2+]Cc1cc(F)c(-n2cc[nH+]c2C)c(F)c1 ZINC000062719568 519947503 /nfs/dbraw/zinc/94/75/03/519947503.db2.gz KQVLPXYXCKFSCH-UHFFFAOYSA-N 2 1 265.307 2.959 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424733 519954007 /nfs/dbraw/zinc/95/40/07/519954007.db2.gz HHTCJTQKZLVVEI-DLBZAZTESA-N 2 1 276.424 2.584 10 0 CFAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476744 519957334 /nfs/dbraw/zinc/95/73/34/519957334.db2.gz RYOYMCHHRMBBQO-GJZGRUSLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453163 519958433 /nfs/dbraw/zinc/95/84/33/519958433.db2.gz VRQXBZHQLOSNFT-CYBMUJFWSA-N 2 1 268.426 2.717 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@@H+](CC)[C@@H](C)COC ZINC000052504828 519972155 /nfs/dbraw/zinc/97/21/55/519972155.db2.gz HSWPPOSGNANXFT-ZDUSSCGKSA-N 2 1 268.401 2.636 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000052381375 520006511 /nfs/dbraw/zinc/00/65/11/520006511.db2.gz BJJUUHCYHBDRTJ-HNNXBMFYSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[N@@H+](C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052446117 520241817 /nfs/dbraw/zinc/24/18/17/520241817.db2.gz FHDRHEBOVCDXHU-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H](C[NH2+]CC)C(C)C)C1 ZINC000052371463 520272968 /nfs/dbraw/zinc/27/29/68/520272968.db2.gz VOUBBKSEHNCRQM-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C[NH2+]CC)C(C)C)C1 ZINC000052371463 520272971 /nfs/dbraw/zinc/27/29/71/520272971.db2.gz VOUBBKSEHNCRQM-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH+](CC)c1ccc(N2CC[NH2+][C@@H](C)CC2)cc1 ZINC000062997199 520913917 /nfs/dbraw/zinc/91/39/17/520913917.db2.gz FJIANZJYTMKGSG-AWEZNQCLSA-N 2 1 261.413 2.721 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181262 520937222 /nfs/dbraw/zinc/93/72/22/520937222.db2.gz LSDCLBTUKYKSQC-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)C(C)C ZINC000052446835 521149380 /nfs/dbraw/zinc/14/93/80/521149380.db2.gz DZUSNLFJCGQNBP-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CCCC[C@](CC)(C[NH3+])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000069380086 521253012 /nfs/dbraw/zinc/25/30/12/521253012.db2.gz MHDPOFLJMBWJBY-LSDHHAIUSA-N 2 1 256.434 2.785 10 0 CFAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052510968 521269875 /nfs/dbraw/zinc/26/98/75/521269875.db2.gz NTCIIITYBAYCDX-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[N@H+](Cc1ccncc1)[C@H](C)CC[NH2+]CC(C)C ZINC000052515127 521425776 /nfs/dbraw/zinc/42/57/76/521425776.db2.gz BZVIAOGMXCPCSA-OAHLLOKOSA-N 2 1 263.429 2.928 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)[C@H](C)CC[NH2+]CC(C)C ZINC000052515127 521425780 /nfs/dbraw/zinc/42/57/80/521425780.db2.gz BZVIAOGMXCPCSA-OAHLLOKOSA-N 2 1 263.429 2.928 10 0 CFAEMP CC[N@H+](Cc1csc(C[NH2+]C(C)C)n1)C(C)C ZINC000052446461 521442519 /nfs/dbraw/zinc/44/25/19/521442519.db2.gz KUZULYWCWGPGTD-UHFFFAOYSA-N 2 1 255.431 2.871 10 0 CFAEMP CC[N@@H+](Cc1csc(C[NH2+]C(C)C)n1)C(C)C ZINC000052446461 521442522 /nfs/dbraw/zinc/44/25/22/521442522.db2.gz KUZULYWCWGPGTD-UHFFFAOYSA-N 2 1 255.431 2.871 10 0 CFAEMP CCC[N@@H+](CC1CC1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182661 521624946 /nfs/dbraw/zinc/62/49/46/521624946.db2.gz UGAPIIMZJBDHSS-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CCCn1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157471195 521656963 /nfs/dbraw/zinc/65/69/63/521656963.db2.gz LESLPEDGBFOWRF-JKSUJKDBSA-N 2 1 261.413 2.615 10 0 CFAEMP CCC[N@@H+](CC[C@@H](C[NH3+])OCC)Cc1ccccc1 ZINC000062740932 521669270 /nfs/dbraw/zinc/66/92/70/521669270.db2.gz MCGCVRQMQWDQDM-INIZCTEOSA-N 2 1 264.413 2.653 10 0 CFAEMP C[NH2+]C[C@@H](O[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000061702386 522038536 /nfs/dbraw/zinc/03/85/36/522038536.db2.gz BGHBRXWFFQSDBK-DLBZAZTESA-N 2 1 276.424 2.522 10 0 CFAEMP CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052451217 522081686 /nfs/dbraw/zinc/08/16/86/522081686.db2.gz AQNIMGPNNGGWSK-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380713 522103972 /nfs/dbraw/zinc/10/39/72/522103972.db2.gz YHSKBPDSOSDVBN-BETUJISGSA-N 2 1 288.391 2.761 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380713 522103981 /nfs/dbraw/zinc/10/39/81/522103981.db2.gz YHSKBPDSOSDVBN-BETUJISGSA-N 2 1 288.391 2.761 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000052482543 522107222 /nfs/dbraw/zinc/10/72/22/522107222.db2.gz OZCYYQGWXMPBPV-WFASDCNBSA-N 2 1 263.385 2.549 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000052482543 522107233 /nfs/dbraw/zinc/10/72/33/522107233.db2.gz OZCYYQGWXMPBPV-WFASDCNBSA-N 2 1 263.385 2.549 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000052419158 522116534 /nfs/dbraw/zinc/11/65/34/522116534.db2.gz ZBZXGHCIMQPRSM-UHFFFAOYSA-N 2 1 266.388 2.964 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000052381390 522121816 /nfs/dbraw/zinc/12/18/16/522121816.db2.gz ZWLCGQKENKHGGQ-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCc2ccccc2C1 ZINC000052419093 522142885 /nfs/dbraw/zinc/14/28/85/522142885.db2.gz CTJOKTRESZBBFC-UHFFFAOYSA-N 2 1 256.349 2.557 10 0 CFAEMP CC[C@@H](C)[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538767 522368845 /nfs/dbraw/zinc/36/88/45/522368845.db2.gz WIOJEKBHOWOJOR-VDDIYKPWSA-N 2 1 255.431 2.784 10 0 CFAEMP C[NH2+][C@H](C)c1cc(C)ccc1OCCn1cc[nH+]c1C ZINC000049329521 522445101 /nfs/dbraw/zinc/44/51/01/522445101.db2.gz IWGWKPFSVNNCDX-CYBMUJFWSA-N 2 1 273.380 2.859 10 0 CFAEMP CC[C@@H](C[NH2+]C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443877 522545470 /nfs/dbraw/zinc/54/54/70/522545470.db2.gz AZICDVWGABEMMF-KRWDZBQOSA-N 2 1 260.425 2.939 10 0 CFAEMP C[N@H+](Cc1ccco1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052456885 523435769 /nfs/dbraw/zinc/43/57/69/523435769.db2.gz FCCPUUVYJQYXEN-DZGCQCFKSA-N 2 1 280.412 2.647 10 0 CFAEMP CCn1cc[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC000050608289 523551231 /nfs/dbraw/zinc/55/12/31/523551231.db2.gz SMHIEMDTCQBWJZ-ZDUSSCGKSA-N 2 1 250.390 2.579 10 0 CFAEMP COCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000050953771 523694593 /nfs/dbraw/zinc/69/45/93/523694593.db2.gz ZTLWYQHQWMOFIN-AWEZNQCLSA-N 2 1 268.445 2.513 10 0 CFAEMP COc1ccc(C[N@@H+](CCC[NH3+])CC(C)C)cc1 ZINC000068817377 524012541 /nfs/dbraw/zinc/01/25/41/524012541.db2.gz YIAKMIUPPITFCK-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000052481862 524142658 /nfs/dbraw/zinc/14/26/58/524142658.db2.gz JHWDAUJHQCMZFB-CYBMUJFWSA-N 2 1 256.434 2.654 10 0 CFAEMP C[C@@H]1CCC[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052381347 524233480 /nfs/dbraw/zinc/23/34/80/524233480.db2.gz QPDQUSBMFYQNMA-GFCCVEGCSA-N 2 1 265.401 2.795 10 0 CFAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453495 524456862 /nfs/dbraw/zinc/45/68/62/524456862.db2.gz MHPCWGGGCQCSNP-QWHCGFSZSA-N 2 1 258.475 2.981 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2ccccc2n1 ZINC000049557783 524476486 /nfs/dbraw/zinc/47/64/86/524476486.db2.gz LBSUTXNORZVIIG-ZDUSSCGKSA-N 2 1 257.381 2.665 10 0 CFAEMP C[C@H]1C[NH+](Cc2oc3ccccc3c2C[NH3+])C[C@H](C)O1 ZINC000052380616 524653226 /nfs/dbraw/zinc/65/32/26/524653226.db2.gz XFADDDGWMMWTLR-RYUDHWBXSA-N 2 1 274.364 2.501 10 0 CFAEMP Cc1cc(C[NH+]2CCSCC2)oc1C[NH2+]C(C)C ZINC000052443345 524704521 /nfs/dbraw/zinc/70/45/21/524704521.db2.gz MFWWAPVLUSCECK-UHFFFAOYSA-N 2 1 268.426 2.635 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000050563681 525639301 /nfs/dbraw/zinc/63/93/01/525639301.db2.gz HYZQUDIMKCGOGP-NWDGAFQWSA-N 2 1 250.361 2.905 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000050563263 525640699 /nfs/dbraw/zinc/64/06/99/525640699.db2.gz IMHSCBVYKLBYQR-NWDGAFQWSA-N 2 1 272.396 2.808 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000050563263 525640705 /nfs/dbraw/zinc/64/07/05/525640705.db2.gz IMHSCBVYKLBYQR-NWDGAFQWSA-N 2 1 272.396 2.808 10 0 CFAEMP Cc1occc1C[N@@H+](C)CCC[C@H]1CCCC[NH2+]1 ZINC000050953186 526822584 /nfs/dbraw/zinc/82/25/84/526822584.db2.gz OCGHGUNQVHWXJB-OAHLLOKOSA-N 2 1 250.386 2.942 10 0 CFAEMP Cc1occc1C[N@@H+](C)CCC[C@@H]1CCCC[NH2+]1 ZINC000050953184 526823501 /nfs/dbraw/zinc/82/35/01/526823501.db2.gz OCGHGUNQVHWXJB-HNNXBMFYSA-N 2 1 250.386 2.942 10 0 CFAEMP Cc1[nH+]ccn1-c1nc(C)cc(C)c1C[NH2+]CC(C)C ZINC000051491098 527388426 /nfs/dbraw/zinc/38/84/26/527388426.db2.gz FTHHGZDFPYMTPA-UHFFFAOYSA-N 2 1 272.396 2.938 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000049330324 527432242 /nfs/dbraw/zinc/43/22/42/527432242.db2.gz GAAVLMKZFFNTKY-CQSZACIVSA-N 2 1 273.380 2.557 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000049329517 527433841 /nfs/dbraw/zinc/43/38/41/527433841.db2.gz YDMLPYOGPQPHAL-GFCCVEGCSA-N 2 1 259.353 2.599 10 0 CFAEMP CC[C@@]1(C)CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757150444 617829855 /nfs/dbraw/zinc/82/98/55/617829855.db2.gz PUWBDIQUGRTOTR-AWEZNQCLSA-N 2 1 254.418 2.802 10 0 CFAEMP CCc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)cc(C)[nH+]1 ZINC000261628259 618118673 /nfs/dbraw/zinc/11/86/73/618118673.db2.gz HHWMOSBQFVRSJC-HNNXBMFYSA-N 2 1 282.391 2.646 10 0 CFAEMP C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941683 619173255 /nfs/dbraw/zinc/17/32/55/619173255.db2.gz ZMWRMSXYYXKLEU-VEDBGLOESA-N 2 1 278.440 2.551 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSCc3ccccc3)C[C@H]12 ZINC000261803574 619277056 /nfs/dbraw/zinc/27/70/56/619277056.db2.gz HCKLWLOJSSCDDR-HRCADAONSA-N 2 1 276.449 2.589 10 0 CFAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(C)(C)C)C2)ccn1 ZINC000886071971 646854839 /nfs/dbraw/zinc/85/48/39/646854839.db2.gz JWAAQOOJMOCMAA-INIZCTEOSA-N 2 1 291.439 2.642 10 0 CFAEMP CC(C)[C@@H]1C[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096950611 185139738 /nfs/dbraw/zinc/13/97/38/185139738.db2.gz QWGFDMSULJILOD-IRXDYDNUSA-N 2 1 258.409 2.754 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000086819023 179348276 /nfs/dbraw/zinc/34/82/76/179348276.db2.gz MRUOGSOBQWOMPU-DLBZAZTESA-N 2 1 258.409 2.618 10 0 CFAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000086836022 179349523 /nfs/dbraw/zinc/34/95/23/179349523.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 2 1 289.467 2.753 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000086836022 179349526 /nfs/dbraw/zinc/34/95/26/179349526.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 2 1 289.467 2.753 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000086836022 179349528 /nfs/dbraw/zinc/34/95/28/179349528.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 2 1 289.467 2.753 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000086817237 179344408 /nfs/dbraw/zinc/34/44/08/179344408.db2.gz FTSOEPVIMSIQDA-HNNXBMFYSA-N 2 1 271.408 2.784 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000086817363 179345420 /nfs/dbraw/zinc/34/54/20/179345420.db2.gz WTWYXYUHDFXHRW-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817894 179345763 /nfs/dbraw/zinc/34/57/63/179345763.db2.gz XWNIXOZQLYUGBC-OLZOCXBDSA-N 2 1 252.427 2.753 10 0 CFAEMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817893 179346101 /nfs/dbraw/zinc/34/61/01/179346101.db2.gz XWNIXOZQLYUGBC-STQMWFEESA-N 2 1 252.427 2.753 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCSc2ccccc2)CC1 ZINC000086818807 179347197 /nfs/dbraw/zinc/34/71/97/179347197.db2.gz APAXSGWDALWIOL-AWEZNQCLSA-N 2 1 264.438 2.853 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846385 179355779 /nfs/dbraw/zinc/35/57/79/179355779.db2.gz DTXKEINUHYZRHT-GOSISDBHSA-N 2 1 287.451 2.641 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847660 179356302 /nfs/dbraw/zinc/35/63/02/179356302.db2.gz AHFONRQJVZUBAA-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848738 179356501 /nfs/dbraw/zinc/35/65/01/179356501.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848738 179356502 /nfs/dbraw/zinc/35/65/02/179356502.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848738 179356504 /nfs/dbraw/zinc/35/65/04/179356504.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848738 179356505 /nfs/dbraw/zinc/35/65/05/179356505.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848738 179356506 /nfs/dbraw/zinc/35/65/06/179356506.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CC(C)CN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848075 179357088 /nfs/dbraw/zinc/35/70/88/179357088.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 1 281.488 2.699 10 0 CFAEMP CC(C)C[N@H+](C1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848075 179357091 /nfs/dbraw/zinc/35/70/91/179357091.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 1 281.488 2.699 10 0 CFAEMP CC(C)C[N@@H+](C1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848075 179357092 /nfs/dbraw/zinc/35/70/92/179357092.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 1 281.488 2.699 10 0 CFAEMP CC(C)C[NH+](C1CC1)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848075 179357095 /nfs/dbraw/zinc/35/70/95/179357095.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 1 281.488 2.699 10 0 CFAEMP CC(C)C[NH+](C1CC1)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848075 179357097 /nfs/dbraw/zinc/35/70/97/179357097.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 1 281.488 2.699 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCC(F)(F)F)CC1 ZINC000086844747 179354306 /nfs/dbraw/zinc/35/43/06/179354306.db2.gz HZLZURNYOPURPB-LLVKDONJSA-N 2 1 252.324 2.791 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844741 179354763 /nfs/dbraw/zinc/35/47/63/179354763.db2.gz IJMWKLZRJMBNKU-SJORKVTESA-N 2 1 276.424 2.574 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844741 179354765 /nfs/dbraw/zinc/35/47/65/179354765.db2.gz IJMWKLZRJMBNKU-SJORKVTESA-N 2 1 276.424 2.574 10 0 CFAEMP COC[C@H]([NH2+][C@@H]1CCC[N@H+](C(C)C)CC1)C(C)C ZINC000086845955 179355621 /nfs/dbraw/zinc/35/56/21/179355621.db2.gz UQWGCLFTGCPKLJ-CABCVRRESA-N 2 1 256.434 2.510 10 0 CFAEMP c1cc2c(s1)CCN[C@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000307204943 348397119 /nfs/dbraw/zinc/39/71/19/348397119.db2.gz GUFISNFXMOUJJM-KRWDZBQOSA-N 2 1 284.428 2.995 10 0 CFAEMP c1cc2c(s1)CCN[C@]21CC[N@H+](Cc2ccccc2)C1 ZINC000307204943 348397124 /nfs/dbraw/zinc/39/71/24/348397124.db2.gz GUFISNFXMOUJJM-KRWDZBQOSA-N 2 1 284.428 2.995 10 0 CFAEMP CCOc1ccccc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328636824 348441820 /nfs/dbraw/zinc/44/18/20/348441820.db2.gz OGQWLZUNUZKYTH-OAHLLOKOSA-N 2 1 299.418 2.976 10 0 CFAEMP CCOc1ccccc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328636824 348441822 /nfs/dbraw/zinc/44/18/22/348441822.db2.gz OGQWLZUNUZKYTH-OAHLLOKOSA-N 2 1 299.418 2.976 10 0 CFAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105915594 186089074 /nfs/dbraw/zinc/08/90/74/186089074.db2.gz XHLUQGUNPAYUFH-INIZCTEOSA-N 2 1 290.451 2.520 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000122834534 187054582 /nfs/dbraw/zinc/05/45/82/187054582.db2.gz INWXHCHJZOTAQJ-ZDUSSCGKSA-N 2 1 259.353 2.876 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000122834534 187054583 /nfs/dbraw/zinc/05/45/83/187054583.db2.gz INWXHCHJZOTAQJ-ZDUSSCGKSA-N 2 1 259.353 2.876 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000178321058 189106994 /nfs/dbraw/zinc/10/69/94/189106994.db2.gz LVWKJKHKIIQKGK-INIZCTEOSA-N 2 1 285.391 2.735 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000178321058 189106995 /nfs/dbraw/zinc/10/69/95/189106995.db2.gz LVWKJKHKIIQKGK-INIZCTEOSA-N 2 1 285.391 2.735 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000178321199 189107041 /nfs/dbraw/zinc/10/70/41/189107041.db2.gz MRAQWRQZMPHNKB-MRXNPFEDSA-N 2 1 295.390 2.504 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000178321199 189107042 /nfs/dbraw/zinc/10/70/42/189107042.db2.gz MRAQWRQZMPHNKB-MRXNPFEDSA-N 2 1 295.390 2.504 10 0 CFAEMP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000224863677 540761529 /nfs/dbraw/zinc/76/15/29/540761529.db2.gz LCENUJXZYOHWDZ-MSOLQXFVSA-N 2 1 281.403 2.951 10 0 CFAEMP c1ccc2c(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000224863677 540761534 /nfs/dbraw/zinc/76/15/34/540761534.db2.gz LCENUJXZYOHWDZ-MSOLQXFVSA-N 2 1 281.403 2.951 10 0 CFAEMP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180123930 189237683 /nfs/dbraw/zinc/23/76/83/189237683.db2.gz VBHACGKGXCINMT-AWEZNQCLSA-N 2 1 259.353 2.758 10 0 CFAEMP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180123930 189237684 /nfs/dbraw/zinc/23/76/84/189237684.db2.gz VBHACGKGXCINMT-AWEZNQCLSA-N 2 1 259.353 2.758 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccco3)C2)[nH+]1 ZINC000092813297 375159661 /nfs/dbraw/zinc/15/96/61/375159661.db2.gz HHKWMRXFFQZTJG-AWEZNQCLSA-N 2 1 271.364 2.917 10 0 CFAEMP CC(C)[NH2+]Cc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000095386480 375427410 /nfs/dbraw/zinc/42/74/10/375427410.db2.gz CIMQYCGTPPQMJR-UHFFFAOYSA-N 2 1 276.428 2.529 10 0 CFAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508138 190039965 /nfs/dbraw/zinc/03/99/65/190039965.db2.gz PYTOABHAZVOTRP-WCQYABFASA-N 2 1 272.314 2.527 10 0 CFAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccn1 ZINC000159003722 378679435 /nfs/dbraw/zinc/67/94/35/378679435.db2.gz WTHAGYVROPBELF-CHWSQXEVSA-N 2 1 258.369 2.573 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000400349980 380856767 /nfs/dbraw/zinc/85/67/67/380856767.db2.gz JQQBVZHETQJOLH-GARJFASQSA-N 2 1 254.324 2.613 10 0 CFAEMP C[C@H]([NH2+]Cc1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000400457645 380861777 /nfs/dbraw/zinc/86/17/77/380861777.db2.gz SVZOBNZXYWININ-IUCAKERBSA-N 2 1 289.242 2.598 10 0 CFAEMP C[C@H](CCN[C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638721 382507774 /nfs/dbraw/zinc/50/77/74/382507774.db2.gz ALDYBHYSMBKHOZ-AEFFLSMTSA-N 2 1 289.467 2.629 10 0 CFAEMP C[C@H](CC[NH2+][C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638721 382507779 /nfs/dbraw/zinc/50/77/79/382507779.db2.gz ALDYBHYSMBKHOZ-AEFFLSMTSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@H](CC[NH2+][C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638721 382507786 /nfs/dbraw/zinc/50/77/86/382507786.db2.gz ALDYBHYSMBKHOZ-AEFFLSMTSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000385160757 382566694 /nfs/dbraw/zinc/56/66/94/382566694.db2.gz RULDSXBJMNJEPR-MWLCHTKSSA-N 2 1 261.756 2.814 10 0 CFAEMP C[C@H](c1cc(F)cc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388416427 382607297 /nfs/dbraw/zinc/60/72/97/382607297.db2.gz PAYMPXABFYNWBZ-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[C@H](c1cc(F)cc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388416427 382607301 /nfs/dbraw/zinc/60/73/01/382607301.db2.gz PAYMPXABFYNWBZ-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP CSc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231457348 382865122 /nfs/dbraw/zinc/86/51/22/382865122.db2.gz FYOXJJPAEFORSF-CQSZACIVSA-N 2 1 264.438 2.982 10 0 CFAEMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305467 383338814 /nfs/dbraw/zinc/33/88/14/383338814.db2.gz CWIDHPROISBXHH-DLBZAZTESA-N 2 1 282.472 2.591 10 0 CFAEMP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000340250382 383391782 /nfs/dbraw/zinc/39/17/82/383391782.db2.gz ATOCDBDUDLOROP-HQQUCIOCSA-N 2 1 267.376 2.749 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000250444486 383376162 /nfs/dbraw/zinc/37/61/62/383376162.db2.gz FNSZLQZLDKEIED-RCBQFDQVSA-N 2 1 290.455 2.797 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000250444486 383376164 /nfs/dbraw/zinc/37/61/64/383376164.db2.gz FNSZLQZLDKEIED-RCBQFDQVSA-N 2 1 290.455 2.797 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250838338 383381236 /nfs/dbraw/zinc/38/12/36/383381236.db2.gz CRAAUAJUSFBZSA-YCPHGPKFSA-N 2 1 272.392 2.727 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250838338 383381242 /nfs/dbraw/zinc/38/12/42/383381242.db2.gz CRAAUAJUSFBZSA-YCPHGPKFSA-N 2 1 272.392 2.727 10 0 CFAEMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987635 383456436 /nfs/dbraw/zinc/45/64/36/383456436.db2.gz GTESFOFJCAVOOZ-HOTGVXAUSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987635 383456441 /nfs/dbraw/zinc/45/64/41/383456441.db2.gz GTESFOFJCAVOOZ-HOTGVXAUSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987635 383456445 /nfs/dbraw/zinc/45/64/45/383456445.db2.gz GTESFOFJCAVOOZ-HOTGVXAUSA-N 3 1 281.488 2.619 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558884 383511209 /nfs/dbraw/zinc/51/12/09/383511209.db2.gz SVUXSUCBVSGIQW-UBHSHLNASA-N 2 1 250.411 2.534 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261579404 383518178 /nfs/dbraw/zinc/51/81/78/383518178.db2.gz DUPUPBJMRPMZRX-BHYGNILZSA-N 2 1 258.409 2.781 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261587794 383520545 /nfs/dbraw/zinc/52/05/45/383520545.db2.gz JPOKVYZOTPUMDG-ZLKJLUDKSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261587794 383520547 /nfs/dbraw/zinc/52/05/47/383520547.db2.gz JPOKVYZOTPUMDG-ZLKJLUDKSA-N 2 1 280.799 2.518 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]12 ZINC000261626789 383532409 /nfs/dbraw/zinc/53/24/09/383532409.db2.gz HEPGMECZZOOKPN-CWRNSKLLSA-N 2 1 283.375 2.511 10 0 CFAEMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261654024 383538191 /nfs/dbraw/zinc/53/81/91/383538191.db2.gz HOYSQQJGCUCLNZ-MSOLQXFVSA-N 2 1 298.434 2.638 10 0 CFAEMP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261678334 383540761 /nfs/dbraw/zinc/54/07/61/383540761.db2.gz JTRQKDSIELBKHR-ZBFHGGJFSA-N 2 1 287.432 2.626 10 0 CFAEMP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261678334 383540768 /nfs/dbraw/zinc/54/07/68/383540768.db2.gz JTRQKDSIELBKHR-ZBFHGGJFSA-N 2 1 287.432 2.626 10 0 CFAEMP CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261919651 383579013 /nfs/dbraw/zinc/57/90/13/383579013.db2.gz KEAGDIBXYAEJLM-ARFHVFGLSA-N 2 1 282.472 2.805 10 0 CFAEMP CSc1ccccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261956282 383585422 /nfs/dbraw/zinc/58/54/22/383585422.db2.gz OSIBOAGPUFRLKA-ZDUSSCGKSA-N 2 1 264.438 2.840 10 0 CFAEMP CSc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261956282 383585433 /nfs/dbraw/zinc/58/54/33/383585433.db2.gz OSIBOAGPUFRLKA-ZDUSSCGKSA-N 2 1 264.438 2.840 10 0 CFAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261990000 383591452 /nfs/dbraw/zinc/59/14/52/383591452.db2.gz SHLMVWGBWSSGIS-MCIONIFRSA-N 2 1 291.464 2.743 10 0 CFAEMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261986730 383591502 /nfs/dbraw/zinc/59/15/02/383591502.db2.gz RYHGZALTICIBRI-NOLJZWGESA-N 2 1 262.372 2.557 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262031024 383597615 /nfs/dbraw/zinc/59/76/15/383597615.db2.gz XEYHEJZCSATHQB-RYQLBKOJSA-N 2 1 286.419 2.645 10 0 CFAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261823073 383565811 /nfs/dbraw/zinc/56/58/11/383565811.db2.gz IMVQFGJUGJGYDQ-MELADBBJSA-N 2 1 287.432 2.774 10 0 CFAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000422728623 533340999 /nfs/dbraw/zinc/34/09/99/533340999.db2.gz JMPNLUUCTZKJOL-MDFVCYEDSA-N 2 1 266.335 2.898 10 0 CFAEMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000181655766 393498514 /nfs/dbraw/zinc/49/85/14/393498514.db2.gz DPLAATUWIVFUEB-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000181655766 393498518 /nfs/dbraw/zinc/49/85/18/393498518.db2.gz DPLAATUWIVFUEB-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000400337406 393601055 /nfs/dbraw/zinc/60/10/55/393601055.db2.gz DQCWVYUINNBXOG-GARJFASQSA-N 2 1 254.324 2.613 10 0 CFAEMP C[N@H+](Cc1ccccc1)Cc1cc(C[NH3+])ccc1F ZINC000019387371 170779943 /nfs/dbraw/zinc/77/99/43/170779943.db2.gz QOABBLASQBGOCO-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP C[N@@H+](Cc1ccccc1)Cc1cc(C[NH3+])ccc1F ZINC000019387371 170779944 /nfs/dbraw/zinc/77/99/44/170779944.db2.gz QOABBLASQBGOCO-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP COc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cc1OC ZINC000020226867 171091400 /nfs/dbraw/zinc/09/14/00/171091400.db2.gz HKBLKUONGMPTTO-UHFFFAOYSA-N 2 1 292.423 2.797 10 0 CFAEMP COc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc1OC ZINC000020226867 171091403 /nfs/dbraw/zinc/09/14/03/171091403.db2.gz HKBLKUONGMPTTO-UHFFFAOYSA-N 2 1 292.423 2.797 10 0 CFAEMP CCC[NH+](CCC)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659122 172335823 /nfs/dbraw/zinc/33/58/23/172335823.db2.gz PCTNOPDEQRXZQE-UHFFFAOYSA-N 2 1 260.385 2.810 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccco2)C1 ZINC000037208435 173030520 /nfs/dbraw/zinc/03/05/20/173030520.db2.gz KXKRDHXHOKKUON-ZIAGYGMSSA-N 2 1 250.386 2.880 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccco2)C1 ZINC000037208435 173030524 /nfs/dbraw/zinc/03/05/24/173030524.db2.gz KXKRDHXHOKKUON-ZIAGYGMSSA-N 2 1 250.386 2.880 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210007 173032169 /nfs/dbraw/zinc/03/21/69/173032169.db2.gz KEXWCUKQUWBRQY-OCCSQVGLSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000037229389 173048984 /nfs/dbraw/zinc/04/89/84/173048984.db2.gz LQWBRGYFGUOUKL-GFCCVEGCSA-N 2 1 267.442 2.978 10 0 CFAEMP Cc1cccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656607707 414613916 /nfs/dbraw/zinc/61/39/16/414613916.db2.gz FREYRYGDCXSCEH-OAHLLOKOSA-N 2 1 259.397 2.606 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2OC)C1 ZINC000040593437 174347530 /nfs/dbraw/zinc/34/75/30/174347530.db2.gz NXQGEIIGDDKQEG-LSDHHAIUSA-N 2 1 276.424 2.558 10 0 CFAEMP CCC[N@@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747556 174392875 /nfs/dbraw/zinc/39/28/75/174392875.db2.gz UUFXWICNNTWIII-XYPWUTKMSA-N 2 1 274.408 2.887 10 0 CFAEMP CCC[N@@H+](Cc1c(C)nn(C)c1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747662 174392937 /nfs/dbraw/zinc/39/29/37/174392937.db2.gz NAROZZGCRJBCOR-XYPWUTKMSA-N 2 1 290.455 2.532 10 0 CFAEMP COc1ccc(CC[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749448 174394574 /nfs/dbraw/zinc/39/45/74/174394574.db2.gz AHPDSBXYXXXSLG-HZTRTUMWSA-N 2 1 288.435 2.970 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccccc1F ZINC000040750029 174394744 /nfs/dbraw/zinc/39/47/44/174394744.db2.gz MYDOPTKMTOAULI-YHWZYXNKSA-N 2 1 280.412 2.872 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccccc1F ZINC000040750029 174394745 /nfs/dbraw/zinc/39/47/45/174394745.db2.gz MYDOPTKMTOAULI-YHWZYXNKSA-N 2 1 280.412 2.872 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NCC[NH+]2CCCCCC2)C1 ZINC000040767720 174397973 /nfs/dbraw/zinc/39/79/73/174397973.db2.gz HHHLIZGMQODZBE-IAGOWNOFSA-N 2 1 281.488 2.572 10 0 CFAEMP Cc1cccc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)c1C ZINC000043314983 175004454 /nfs/dbraw/zinc/00/44/54/175004454.db2.gz LVHJBMIOVXXSKJ-GOSISDBHSA-N 2 1 289.467 2.577 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1ccccn1)n1cc[nH+]c1C(C)C ZINC000043341424 175015551 /nfs/dbraw/zinc/01/55/51/175015551.db2.gz CFMXMSZKRZNGIA-TZMCWYRMSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1ccncc1)n1cc[nH+]c1C(C)C ZINC000043354957 175022986 /nfs/dbraw/zinc/02/29/86/175022986.db2.gz WAWDRJFUJWDPTF-KBPBESRZSA-N 2 1 258.369 2.728 10 0 CFAEMP COc1ccccc1C[N@@H+](CCC[NH3+])C1CCCC1 ZINC000043457202 175049863 /nfs/dbraw/zinc/04/98/63/175049863.db2.gz MHGSZBSYWLXTRR-UHFFFAOYSA-N 2 1 262.397 2.789 10 0 CFAEMP CCCC[C@@H](CC)C[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000043454512 175050149 /nfs/dbraw/zinc/05/01/49/175050149.db2.gz RIOKDWCNGAFQBZ-MRXNPFEDSA-N 2 1 269.477 2.559 10 0 CFAEMP C[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)C(N)=[NH2+] ZINC000043512050 175060687 /nfs/dbraw/zinc/06/06/87/175060687.db2.gz UFUUDPUREDVXJP-SECBINFHSA-N 2 1 273.302 2.709 10 0 CFAEMP C[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C(N)=[NH2+] ZINC000043512050 175060689 /nfs/dbraw/zinc/06/06/89/175060689.db2.gz UFUUDPUREDVXJP-SECBINFHSA-N 2 1 273.302 2.709 10 0 CFAEMP c1cc2c(s1)CC[N@H+](CCC[C@@H]1CCC[NH2+]C1)C2 ZINC000043591719 175074094 /nfs/dbraw/zinc/07/40/94/175074094.db2.gz YVTDDOOBJBAPEC-ZDUSSCGKSA-N 2 1 264.438 2.886 10 0 CFAEMP CCC[NH2+][C@@H](C)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817817 175113318 /nfs/dbraw/zinc/11/33/18/175113318.db2.gz KPSAMFWNJDGRTE-FUHWJXTLSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884220 175116705 /nfs/dbraw/zinc/11/67/05/175116705.db2.gz JVPJQSQXGLITOD-CVEARBPZSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884220 175116706 /nfs/dbraw/zinc/11/67/06/175116706.db2.gz JVPJQSQXGLITOD-CVEARBPZSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888376 175117546 /nfs/dbraw/zinc/11/75/46/175117546.db2.gz CLOHWVKSNVUOJZ-CVEARBPZSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[NH+]1CCC(OC)CC1 ZINC000043890259 175118040 /nfs/dbraw/zinc/11/80/40/175118040.db2.gz XQFZJKDROXUDBG-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)C2CCOCC2)c1 ZINC000043898313 175120975 /nfs/dbraw/zinc/12/09/75/175120975.db2.gz NAAPRDAITWSOCV-ZDUSSCGKSA-N 2 1 292.423 2.586 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C1CCCCCC1 ZINC000043899798 175121898 /nfs/dbraw/zinc/12/18/98/175121898.db2.gz YQNWVEAJSGNFLG-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899798 175121900 /nfs/dbraw/zinc/12/19/00/175121900.db2.gz YQNWVEAJSGNFLG-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[NH+]1CCC(OCC)CC1 ZINC000043907098 175123193 /nfs/dbraw/zinc/12/31/93/175123193.db2.gz OZPCLRXEGNICIW-CABCVRRESA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907623 175123538 /nfs/dbraw/zinc/12/35/38/175123538.db2.gz LUPHVJCLSFPZQA-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911713 175123673 /nfs/dbraw/zinc/12/36/73/175123673.db2.gz RVFZMCXSGSREMM-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911713 175123674 /nfs/dbraw/zinc/12/36/74/175123674.db2.gz RVFZMCXSGSREMM-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@H+](CC)CCOC ZINC000043968765 175129644 /nfs/dbraw/zinc/12/96/44/175129644.db2.gz JKMCLPDHBMWZHT-OAGGEKHMSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968765 175129645 /nfs/dbraw/zinc/12/96/45/175129645.db2.gz JKMCLPDHBMWZHT-OAGGEKHMSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970514 175130905 /nfs/dbraw/zinc/13/09/05/175130905.db2.gz HANBAUOKUBUUNO-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970775 175131988 /nfs/dbraw/zinc/13/19/88/175131988.db2.gz HYDQDFWHAKGTNM-QZTJIDSGSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](CCOC)[C@@H](C)CC ZINC000043973437 175132551 /nfs/dbraw/zinc/13/25/51/175132551.db2.gz PVBMUORTHQMPAK-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](CCOC)[C@@H](C)CC ZINC000043973437 175132552 /nfs/dbraw/zinc/13/25/52/175132552.db2.gz PVBMUORTHQMPAK-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972929 175132950 /nfs/dbraw/zinc/13/29/50/175132950.db2.gz PMLFCYPSFXOANV-ARFHVFGLSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972929 175132951 /nfs/dbraw/zinc/13/29/51/175132951.db2.gz PMLFCYPSFXOANV-ARFHVFGLSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977725 175133221 /nfs/dbraw/zinc/13/32/21/175133221.db2.gz OYNYBYIIZVYJJK-NUEKZKHPSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981887 175134009 /nfs/dbraw/zinc/13/40/09/175134009.db2.gz HMKSVVXHXZHBKK-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981887 175134010 /nfs/dbraw/zinc/13/40/10/175134010.db2.gz HMKSVVXHXZHBKK-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981291 175134065 /nfs/dbraw/zinc/13/40/65/175134065.db2.gz GCWRBMCBPNWNHX-XQLPTFJDSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981291 175134067 /nfs/dbraw/zinc/13/40/67/175134067.db2.gz GCWRBMCBPNWNHX-XQLPTFJDSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](CC)[C@@H](C)COC ZINC000043981522 175134200 /nfs/dbraw/zinc/13/42/00/175134200.db2.gz JTATUSREYIZANF-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](CC)[C@@H](C)COC ZINC000043981522 175134202 /nfs/dbraw/zinc/13/42/02/175134202.db2.gz JTATUSREYIZANF-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](CC)[C@@H](C)COC ZINC000043981513 175134299 /nfs/dbraw/zinc/13/42/99/175134299.db2.gz JTATUSREYIZANF-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](CC)[C@@H](C)COC ZINC000043981513 175134300 /nfs/dbraw/zinc/13/43/00/175134300.db2.gz JTATUSREYIZANF-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981324 175134383 /nfs/dbraw/zinc/13/43/83/175134383.db2.gz GUYRUDOBZJDHOF-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981324 175134384 /nfs/dbraw/zinc/13/43/84/175134384.db2.gz GUYRUDOBZJDHOF-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000044036587 175139707 /nfs/dbraw/zinc/13/97/07/175139707.db2.gz NYIAWXSMVRTEPO-GOEBONIOSA-N 2 1 255.365 2.894 10 0 CFAEMP CC[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044133023 175145631 /nfs/dbraw/zinc/14/56/31/175145631.db2.gz PYVHIOUBRDROGJ-DLBZAZTESA-N 2 1 276.424 2.525 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533193 175197428 /nfs/dbraw/zinc/19/74/28/175197428.db2.gz LGOLUYWNSPERKG-INIZCTEOSA-N 2 1 287.451 2.718 10 0 CFAEMP Nc1[nH+]c2cccc(Cl)c2n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726527 175238506 /nfs/dbraw/zinc/23/85/06/175238506.db2.gz RJQBDZDRMCUWDJ-SNVBAGLBSA-N 2 1 276.771 2.681 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045168758 175319831 /nfs/dbraw/zinc/31/98/31/175319831.db2.gz OMBDUHGBCMSGNX-GFCCVEGCSA-N 2 1 278.444 2.562 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045368237 175362825 /nfs/dbraw/zinc/36/28/25/175362825.db2.gz OMYHIQYLCJZNDI-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045368237 175362826 /nfs/dbraw/zinc/36/28/26/175362826.db2.gz OMYHIQYLCJZNDI-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045370716 175364028 /nfs/dbraw/zinc/36/40/28/175364028.db2.gz NKMOQAQXHKJZAW-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045370716 175364029 /nfs/dbraw/zinc/36/40/29/175364029.db2.gz NKMOQAQXHKJZAW-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045370551 175364096 /nfs/dbraw/zinc/36/40/96/175364096.db2.gz HUWDCQARIAPFKC-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045370743 175364437 /nfs/dbraw/zinc/36/44/37/175364437.db2.gz CMDKMYHFTXMTQK-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045370743 175364438 /nfs/dbraw/zinc/36/44/38/175364438.db2.gz CMDKMYHFTXMTQK-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378001 175367369 /nfs/dbraw/zinc/36/73/69/175367369.db2.gz YQXHIDINJSNHNR-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378001 175367371 /nfs/dbraw/zinc/36/73/71/175367371.db2.gz YQXHIDINJSNHNR-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP COC(=O)[C@@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C(C)C ZINC000045379165 175368478 /nfs/dbraw/zinc/36/84/78/175368478.db2.gz WWZIZDLRZKSDBK-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C(C)C ZINC000045379165 175368479 /nfs/dbraw/zinc/36/84/79/175368479.db2.gz WWZIZDLRZKSDBK-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383669 175371361 /nfs/dbraw/zinc/37/13/61/175371361.db2.gz BGRFSVDYZNFJNL-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383669 175371363 /nfs/dbraw/zinc/37/13/63/175371363.db2.gz BGRFSVDYZNFJNL-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385817 175371884 /nfs/dbraw/zinc/37/18/84/175371884.db2.gz IVTFHGCZKAOLDZ-OAHLLOKOSA-N 2 1 272.433 2.558 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385339 175372040 /nfs/dbraw/zinc/37/20/40/175372040.db2.gz WOZOHHROHHQABZ-GOEBONIOSA-N 2 1 285.476 2.521 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390518 175375113 /nfs/dbraw/zinc/37/51/13/175375113.db2.gz LSVZKIZHOAGJAG-QGZVFWFLSA-N 2 1 297.487 2.663 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C(C)C ZINC000045392181 175375575 /nfs/dbraw/zinc/37/55/75/175375575.db2.gz GMAAYYAYSLNCPQ-HOCLYGCPSA-N 2 1 286.460 2.673 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C(C)C ZINC000045392181 175375577 /nfs/dbraw/zinc/37/55/77/175375577.db2.gz GMAAYYAYSLNCPQ-HOCLYGCPSA-N 2 1 286.460 2.673 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CCC)C(=O)OC ZINC000045394767 175376316 /nfs/dbraw/zinc/37/63/16/175376316.db2.gz YEAMIANWMRSCDO-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CCC)C(=O)OC ZINC000045394767 175376317 /nfs/dbraw/zinc/37/63/17/175376317.db2.gz YEAMIANWMRSCDO-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP C[N@H+](CC[NH3+])CCCc1ccc2c(c1)CCCS2 ZINC000076369770 177006365 /nfs/dbraw/zinc/00/63/65/177006365.db2.gz XGVJOSWNXIILHT-UHFFFAOYSA-N 2 1 264.438 2.548 10 0 CFAEMP C[N@@H+](CC[NH3+])CCCc1ccc2c(c1)CCCS2 ZINC000076369770 177006366 /nfs/dbraw/zinc/00/63/66/177006366.db2.gz XGVJOSWNXIILHT-UHFFFAOYSA-N 2 1 264.438 2.548 10 0 CFAEMP COc1ccc(C[N@H+](CC[NH3+])C(C)(C)C)cc1C ZINC000076655191 177044844 /nfs/dbraw/zinc/04/48/44/177044844.db2.gz JBXYSWXTYNOWNC-UHFFFAOYSA-N 2 1 250.386 2.563 10 0 CFAEMP COc1ccc(C[N@@H+](CC[NH3+])C(C)(C)C)cc1C ZINC000076655191 177044846 /nfs/dbraw/zinc/04/48/46/177044846.db2.gz JBXYSWXTYNOWNC-UHFFFAOYSA-N 2 1 250.386 2.563 10 0 CFAEMP CC1(C)CC[N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000076697698 177060981 /nfs/dbraw/zinc/06/09/81/177060981.db2.gz WEOUOCZEZPJAKT-JKSUJKDBSA-N 2 1 258.409 2.897 10 0 CFAEMP c1ccc(C[C@H]2CC[NH2+][C@H]2C[NH+]2CCCCC2)cc1 ZINC000039277488 260171958 /nfs/dbraw/zinc/17/19/58/260171958.db2.gz DANSRUVTWYEJOA-SJORKVTESA-N 2 1 258.409 2.693 10 0 CFAEMP C[NH2+][C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000129153299 273974966 /nfs/dbraw/zinc/97/49/66/273974966.db2.gz LZODAHFYQXAWQX-NSHDSACASA-N 2 1 261.756 2.686 10 0 CFAEMP CC[NH2+]CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000163959990 276419890 /nfs/dbraw/zinc/41/98/90/276419890.db2.gz SBOOJKSWJASYHP-UHFFFAOYSA-N 2 1 298.228 2.670 10 0 CFAEMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000335012980 279258468 /nfs/dbraw/zinc/25/84/68/279258468.db2.gz YFBGVVLEQWNQBL-AEFFLSMTSA-N 2 1 293.499 2.667 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261612404 280385650 /nfs/dbraw/zinc/38/56/50/280385650.db2.gz SPNHRUBWWPWLQC-BHYGNILZSA-N 2 1 258.409 2.781 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000312646865 290016471 /nfs/dbraw/zinc/01/64/71/290016471.db2.gz FAQYRDIHJYOESZ-BHYGNILZSA-N 2 1 274.408 2.645 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180809 519742691 /nfs/dbraw/zinc/74/26/91/519742691.db2.gz VAGZCRPPCHKPMO-INIZCTEOSA-N 2 1 282.472 2.761 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)OCC[C@@H]1CCC[N@H+]1C ZINC000052673556 519743759 /nfs/dbraw/zinc/74/37/59/519743759.db2.gz DLFSPCSFAOZIAJ-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+]CCCCC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052571144 519912035 /nfs/dbraw/zinc/91/20/35/519912035.db2.gz PWMIJQQSDOKZGU-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197780 519913207 /nfs/dbraw/zinc/91/32/07/519913207.db2.gz BRCBCMIIFGVTRO-UHFFFAOYSA-N 2 1 270.461 2.759 10 0 CFAEMP CC[NH2+]CCCCC[N@H+]1CCc2sccc2C1 ZINC000052416575 519919401 /nfs/dbraw/zinc/91/94/01/519919401.db2.gz FCRTZZPAUBHMHV-UHFFFAOYSA-N 2 1 252.427 2.886 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)c(C)o1 ZINC000052453619 519988897 /nfs/dbraw/zinc/98/88/97/519988897.db2.gz IFZVYPIVJNUJND-CYBMUJFWSA-N 2 1 268.426 2.635 10 0 CFAEMP CCO[C@@H]1CCC[N@@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052372075 520320531 /nfs/dbraw/zinc/32/05/31/520320531.db2.gz OAFCSLJEGKONOV-OAHLLOKOSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239835 520958671 /nfs/dbraw/zinc/95/86/71/520958671.db2.gz JFHDILRDHUIRBP-INIZCTEOSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183514 521969052 /nfs/dbraw/zinc/96/90/52/521969052.db2.gz TUXPRPCFXKXYEG-GJZGRUSLSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)oc1C ZINC000052373280 522108235 /nfs/dbraw/zinc/10/82/35/522108235.db2.gz HVGOEJACVNSMMS-RYUDHWBXSA-N 2 1 250.386 2.928 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+](C)Cc1cccs1 ZINC000052456204 522163162 /nfs/dbraw/zinc/16/31/62/522163162.db2.gz MFAMIBRODWLSLG-UHFFFAOYSA-N 2 1 250.367 2.693 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1cccs1 ZINC000052456204 522163168 /nfs/dbraw/zinc/16/31/68/522163168.db2.gz MFAMIBRODWLSLG-UHFFFAOYSA-N 2 1 250.367 2.693 10 0 CFAEMP CC(C)C[C@H]1C[N@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062670313 519414321 /nfs/dbraw/zinc/41/43/21/519414321.db2.gz OSURVPYVSKEDFG-INIZCTEOSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)C[C@H]1C[N@@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062670313 519414327 /nfs/dbraw/zinc/41/43/27/519414327.db2.gz OSURVPYVSKEDFG-INIZCTEOSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2N[C@@H](C)C[NH+]1CCCC1 ZINC000049167710 519697804 /nfs/dbraw/zinc/69/78/04/519697804.db2.gz PDWRZTJFNXBFKA-XNHLSEOASA-N 2 1 293.499 2.569 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052541020 519743529 /nfs/dbraw/zinc/74/35/29/519743529.db2.gz NKSRZCXSRAXBGK-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503374 519743727 /nfs/dbraw/zinc/74/37/27/519743727.db2.gz DIWBTIGKUUTOMK-KRWDZBQOSA-N 2 1 285.520 2.920 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417304 519744537 /nfs/dbraw/zinc/74/45/37/519744537.db2.gz HDPDXEMANYMINE-QGZVFWFLSA-N 2 1 289.467 2.690 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444996 519745948 /nfs/dbraw/zinc/74/59/48/519745948.db2.gz GHBWGTONNBGERF-CVEARBPZSA-N 2 1 268.445 2.654 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420866 519746437 /nfs/dbraw/zinc/74/64/37/519746437.db2.gz LHRIVWZZCRSUTC-TWMKSMIVSA-N 2 1 282.472 2.758 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000052476159 519747614 /nfs/dbraw/zinc/74/76/14/519747614.db2.gz CQWANKNJNOMKIR-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000052476159 519747615 /nfs/dbraw/zinc/74/76/15/519747615.db2.gz CQWANKNJNOMKIR-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2cccc(C)c2)CCOCC1 ZINC000052198206 519911723 /nfs/dbraw/zinc/91/17/23/519911723.db2.gz SUVWEUCSTXUQPP-UHFFFAOYSA-N 2 1 290.451 2.833 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H](C)CC)O1 ZINC000052454367 519935930 /nfs/dbraw/zinc/93/59/30/519935930.db2.gz NDKBPCPQYHNBLD-ZNMIVQPWSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424735 519951602 /nfs/dbraw/zinc/95/16/02/519951602.db2.gz HHTCJTQKZLVVEI-IRXDYDNUSA-N 2 1 276.424 2.584 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380253 519955415 /nfs/dbraw/zinc/95/54/15/519955415.db2.gz VUVVKFQHEGKORB-GASCZTMLSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)C2CCCCC2)O1 ZINC000052420136 519976945 /nfs/dbraw/zinc/97/69/45/519976945.db2.gz RBFOZCFVJWSRFV-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382625 519985401 /nfs/dbraw/zinc/98/54/01/519985401.db2.gz MSTJOJAEAGFMCV-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382625 519985407 /nfs/dbraw/zinc/98/54/07/519985407.db2.gz MSTJOJAEAGFMCV-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482300 519989774 /nfs/dbraw/zinc/98/97/74/519989774.db2.gz PHQFBCRERGBYHE-UONOGXRCSA-N 2 1 277.412 2.796 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482300 519989785 /nfs/dbraw/zinc/98/97/85/519989785.db2.gz PHQFBCRERGBYHE-UONOGXRCSA-N 2 1 277.412 2.796 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431425 520021037 /nfs/dbraw/zinc/02/10/37/520021037.db2.gz LUZBAUOTWHWHNR-HUUCEWRRSA-N 2 1 298.471 2.771 10 0 CFAEMP CC[NH2+][C@H](C)c1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049329494 520179331 /nfs/dbraw/zinc/17/93/31/520179331.db2.gz ASTZUKUPFRMDGN-CYBMUJFWSA-N 2 1 273.380 2.941 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953635 520271528 /nfs/dbraw/zinc/27/15/28/520271528.db2.gz BFLXVFZONIQGST-JKSUJKDBSA-N 2 1 268.445 2.800 10 0 CFAEMP CCC[C@@](C)([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538846 520920563 /nfs/dbraw/zinc/92/05/63/520920563.db2.gz JYPIYYHITIUOSZ-NOZJJQNGSA-N 2 1 255.431 2.928 10 0 CFAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511183 521269916 /nfs/dbraw/zinc/26/99/16/521269916.db2.gz AWFFFBXPRFYGQK-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052515034 521420629 /nfs/dbraw/zinc/42/06/29/521420629.db2.gz IGQWVZXSJCYSQG-AWEZNQCLSA-N 2 1 261.413 2.824 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)Cc1cc(F)ccc1C[NH3+] ZINC000069401437 521560257 /nfs/dbraw/zinc/56/02/57/521560257.db2.gz ROUXXLGVVSCFEA-UHFFFAOYSA-N 2 1 282.403 2.921 10 0 CFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC000054601873 521953159 /nfs/dbraw/zinc/95/31/59/521953159.db2.gz ZMOSHPREIJUAKH-MQVJKMGUSA-N 2 1 262.372 2.931 10 0 CFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC000054601873 521953162 /nfs/dbraw/zinc/95/31/62/521953162.db2.gz ZMOSHPREIJUAKH-MQVJKMGUSA-N 2 1 262.372 2.931 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182767 521970261 /nfs/dbraw/zinc/97/02/61/521970261.db2.gz FJFNFTDWDKTOQS-INIZCTEOSA-N 2 1 280.456 2.657 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373061 522141577 /nfs/dbraw/zinc/14/15/77/522141577.db2.gz NUZQLBVBFNJRKB-MRXNPFEDSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382222 522169317 /nfs/dbraw/zinc/16/93/17/522169317.db2.gz QDWMNPRFAUEWDF-GFCCVEGCSA-N 2 1 290.432 2.841 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@H+]1CCO[C@H](C)C1 ZINC000052382222 522169326 /nfs/dbraw/zinc/16/93/26/522169326.db2.gz QDWMNPRFAUEWDF-GFCCVEGCSA-N 2 1 290.432 2.841 10 0 CFAEMP CC[C@H]([NH3+])c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329349 522346625 /nfs/dbraw/zinc/34/66/25/522346625.db2.gz DTZCKFRFRCOMOS-HNNXBMFYSA-N 2 1 259.353 2.680 10 0 CFAEMP C[NH2+][C@H](C)CCCC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000045603202 522439399 /nfs/dbraw/zinc/43/93/99/522439399.db2.gz GKIUGPNMIUJQQF-KGLIPLIRSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[C@@H](CC[NH3+])N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000049254433 522498343 /nfs/dbraw/zinc/49/83/43/522498343.db2.gz KPGDUBZVPKDYLD-HNNXBMFYSA-N 2 1 269.477 2.558 10 0 CFAEMP C[N@@H+](CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182156 522626952 /nfs/dbraw/zinc/62/69/52/522626952.db2.gz PIIVIHVMBOWEGF-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180423 523267974 /nfs/dbraw/zinc/26/79/74/523267974.db2.gz BKBQZKZKXOVMTH-MRXNPFEDSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[C@H]1C[N@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052477091 523283509 /nfs/dbraw/zinc/28/35/09/523283509.db2.gz NZLZKUZZZWOYSY-LBPRGKRZSA-N 2 1 274.364 2.502 10 0 CFAEMP CC[C@H]1C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052477091 523283513 /nfs/dbraw/zinc/28/35/13/523283513.db2.gz NZLZKUZZZWOYSY-LBPRGKRZSA-N 2 1 274.364 2.502 10 0 CFAEMP C[N@H+]1CCC[C@H]1CCOc1cccc(Cl)c1C[NH3+] ZINC000052904937 523850813 /nfs/dbraw/zinc/85/08/13/523850813.db2.gz YOMQGVWXRNGJSQ-NSHDSACASA-N 2 1 268.788 2.662 10 0 CFAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180449 524261836 /nfs/dbraw/zinc/26/18/36/524261836.db2.gz GRNACYBJYVQEPP-CQSZACIVSA-N 2 1 268.445 2.656 10 0 CFAEMP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052476052 524722832 /nfs/dbraw/zinc/72/28/32/524722832.db2.gz YMMRUCNGHYXMIO-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052476052 524722839 /nfs/dbraw/zinc/72/28/39/524722839.db2.gz YMMRUCNGHYXMIO-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2sccc21 ZINC000061363761 525246552 /nfs/dbraw/zinc/24/65/52/525246552.db2.gz DNBQVSOZIQPMKP-NTZNESFSSA-N 2 1 250.411 2.937 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000050563679 525641601 /nfs/dbraw/zinc/64/16/01/525641601.db2.gz ACXZESFTOMDWPK-NWDGAFQWSA-N 2 1 250.361 2.905 10 0 CFAEMP COc1cccc(C[N@@H+](C)[C@@H](C)CC[NH2+]C2CC2)c1 ZINC000052372977 525917281 /nfs/dbraw/zinc/91/72/81/525917281.db2.gz ULGNBOVMVYIGRM-ZDUSSCGKSA-N 2 1 262.397 2.658 10 0 CFAEMP Cc1oc(C[N@@H+](C)Cc2ccsc2)cc1C[NH3+] ZINC000052457217 526769224 /nfs/dbraw/zinc/76/92/24/526769224.db2.gz IKUSHEPAPRLLLZ-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1oc(C[N@H+](C)Cc2ccsc2)cc1C[NH3+] ZINC000052457217 526769231 /nfs/dbraw/zinc/76/92/31/526769231.db2.gz IKUSHEPAPRLLLZ-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1oc(C[NH+]2CCSCC2)cc1C[NH2+]C(C)C ZINC000052425541 526770693 /nfs/dbraw/zinc/77/06/93/526770693.db2.gz XBLONKVCDLAFOL-UHFFFAOYSA-N 2 1 268.426 2.635 10 0 CFAEMP NC(=[NH2+])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000050599521 526822143 /nfs/dbraw/zinc/82/21/43/526822143.db2.gz SMTUPOIWRPGETR-QGZVFWFLSA-N 2 1 279.387 2.960 10 0 CFAEMP [NH3+]Cc1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061656634 527264923 /nfs/dbraw/zinc/26/49/23/527264923.db2.gz BXVBHYJLHHWNHO-UONOGXRCSA-N 2 1 259.397 2.552 10 0 CFAEMP Cc1csc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979767 618280347 /nfs/dbraw/zinc/28/03/47/618280347.db2.gz MJCAQHRMXFDYOT-AWEZNQCLSA-N 2 1 279.453 2.631 10 0 CFAEMP CCC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399086252 619085438 /nfs/dbraw/zinc/08/54/38/619085438.db2.gz RHCWYDFKBOFEBG-QGZVFWFLSA-N 2 1 276.424 2.574 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc4ccccc34)C[C@H]12 ZINC000261576900 619172538 /nfs/dbraw/zinc/17/25/38/619172538.db2.gz CJZDMZRBWMBEBS-TUKIKUTGSA-N 2 1 256.349 2.602 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000171746645 623241284 /nfs/dbraw/zinc/24/12/84/623241284.db2.gz ZRVNPDXGFWGOMI-CYBMUJFWSA-N 2 1 265.477 2.960 10 0 CFAEMP C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941677 625150292 /nfs/dbraw/zinc/15/02/92/625150292.db2.gz ZMWRMSXYYXKLEU-SLUKUZTOSA-N 2 1 278.440 2.551 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)(CO)[NH2+]C(C)C)CC1CC1 ZINC000085212426 178976513 /nfs/dbraw/zinc/97/65/13/178976513.db2.gz NHKQSCRBIVBEDI-INIZCTEOSA-N 2 1 270.461 2.638 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000113037899 347765521 /nfs/dbraw/zinc/76/55/21/347765521.db2.gz LRNYVLXFLNVAFC-KWCYVHTRSA-N 2 1 284.325 2.875 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000113037899 347765523 /nfs/dbraw/zinc/76/55/23/347765523.db2.gz LRNYVLXFLNVAFC-KWCYVHTRSA-N 2 1 284.325 2.875 10 0 CFAEMP C[C@@H]1CCC[C@@](CN[C@@H]2CCC[N@@H+](C)CC2)([NH+](C)C)C1 ZINC000086818871 179347938 /nfs/dbraw/zinc/34/79/38/179347938.db2.gz MTSNUDVBJHNNRO-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000086817310 179344879 /nfs/dbraw/zinc/34/48/79/179344879.db2.gz IHNYUMYBNCCJLN-OAHLLOKOSA-N 2 1 286.423 2.500 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000086817238 179345459 /nfs/dbraw/zinc/34/54/59/179345459.db2.gz FTSOEPVIMSIQDA-OAHLLOKOSA-N 2 1 271.408 2.784 10 0 CFAEMP C[NH+](C)CCOc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818678 179346455 /nfs/dbraw/zinc/34/64/55/179346455.db2.gz CMSLEMFGTPXODN-OAHLLOKOSA-N 2 1 291.439 2.523 10 0 CFAEMP C[C@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818696 179346493 /nfs/dbraw/zinc/34/64/93/179346493.db2.gz ZERAVGKIJQXAQZ-CHWSQXEVSA-N 2 1 282.378 2.970 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccc(C)c2)CC1 ZINC000086847477 179356698 /nfs/dbraw/zinc/35/66/98/179356698.db2.gz GRHNQQBBWGTEKR-SFHVURJKSA-N 2 1 289.467 2.630 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC(CC)CC2)CC1 ZINC000086847577 179357339 /nfs/dbraw/zinc/35/73/39/179357339.db2.gz KPNRHMOYHIAMCI-QGZVFWFLSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000086843134 179353614 /nfs/dbraw/zinc/35/36/14/179353614.db2.gz AKXMFKRKUTWYQO-ZDUSSCGKSA-N 2 1 268.351 2.929 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000086843134 179353616 /nfs/dbraw/zinc/35/36/16/179353616.db2.gz AKXMFKRKUTWYQO-ZDUSSCGKSA-N 2 1 268.351 2.929 10 0 CFAEMP CCC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](CCC)CC1 ZINC000086845544 179355648 /nfs/dbraw/zinc/35/56/48/179355648.db2.gz KIICBSLYZTXXMY-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496504 348288071 /nfs/dbraw/zinc/28/80/71/348288071.db2.gz JLJGPEYPFDWSCN-YOEHRIQHSA-N 2 1 258.409 2.994 10 0 CFAEMP C[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000379653242 348522286 /nfs/dbraw/zinc/52/22/86/348522286.db2.gz ZAMPMEHWPHQHBA-CGTJXYLNSA-N 2 1 290.451 2.790 10 0 CFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCOC1CCCCC1)C2 ZINC000104441426 186003468 /nfs/dbraw/zinc/00/34/68/186003468.db2.gz KRBIFICAIITCKV-GOOCMWNKSA-N 2 1 266.429 2.551 10 0 CFAEMP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455881 539802849 /nfs/dbraw/zinc/80/28/49/539802849.db2.gz MLGPTRBCHJTUMF-SKDRFNHKSA-N 2 1 284.201 2.596 10 0 CFAEMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455881 539802853 /nfs/dbraw/zinc/80/28/53/539802853.db2.gz MLGPTRBCHJTUMF-SKDRFNHKSA-N 2 1 284.201 2.596 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000630074850 354997151 /nfs/dbraw/zinc/99/71/51/354997151.db2.gz BKSLMYVWQQXNHP-DGCLKSJQSA-N 2 1 252.789 2.675 10 0 CFAEMP [NH3+]C[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1C(F)(F)F ZINC000630528792 355104034 /nfs/dbraw/zinc/10/40/34/355104034.db2.gz NAWGXDNVRQRVFH-IUCAKERBSA-N 2 1 293.720 2.699 10 0 CFAEMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC000630565920 355113926 /nfs/dbraw/zinc/11/39/26/355113926.db2.gz CHTOTHQFSFYORO-GHMZBOCLSA-N 2 1 275.783 2.919 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837095 355600680 /nfs/dbraw/zinc/60/06/80/355600680.db2.gz MUBWVVQDILZCTJ-PWSUYJOCSA-N 2 1 288.313 2.612 10 0 CFAEMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837848 355601308 /nfs/dbraw/zinc/60/13/08/355601308.db2.gz GCQXPIVPBNCVAX-MDZLAQPJSA-N 2 1 252.789 2.928 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000631838672 355601928 /nfs/dbraw/zinc/60/19/28/355601928.db2.gz SNVUCSIJIHCHBK-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000631838672 355601930 /nfs/dbraw/zinc/60/19/30/355601930.db2.gz SNVUCSIJIHCHBK-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839531 355602325 /nfs/dbraw/zinc/60/23/25/355602325.db2.gz HIKIXPAIEJAFCC-HIFRSBDPSA-N 2 1 262.397 2.500 10 0 CFAEMP O[C@@H](C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976702 189159140 /nfs/dbraw/zinc/15/91/40/189159140.db2.gz JENLJUSTXVBCGO-ROUUACIJSA-N 2 1 288.435 2.574 10 0 CFAEMP Cc1ccsc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275553058 193074036 /nfs/dbraw/zinc/07/40/36/193074036.db2.gz NMLAJIRCNXQNER-LBPRGKRZSA-N 2 1 261.394 2.605 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccco3)C2)[nH+]1 ZINC000092813298 375161149 /nfs/dbraw/zinc/16/11/49/375161149.db2.gz HHKWMRXFFQZTJG-CQSZACIVSA-N 2 1 271.364 2.917 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000094272647 375349464 /nfs/dbraw/zinc/34/94/64/375349464.db2.gz QRSSGFFYJPXVRZ-CYBMUJFWSA-N 2 1 265.788 2.703 10 0 CFAEMP Clc1c[nH+]ccc1NCCC[NH2+]Cc1cccnc1 ZINC000094272645 375349525 /nfs/dbraw/zinc/34/95/25/375349525.db2.gz QNUSVNBPUSZUFW-UHFFFAOYSA-N 2 1 276.771 2.722 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC000106124311 375795478 /nfs/dbraw/zinc/79/54/78/375795478.db2.gz YAMIXTYQCZDONP-OAHLLOKOSA-N 2 1 282.472 2.591 10 0 CFAEMP COCCCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000116878250 376212682 /nfs/dbraw/zinc/21/26/82/376212682.db2.gz RMCPNNQAIPMKGB-INIZCTEOSA-N 2 1 291.439 2.941 10 0 CFAEMP COCCCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000116878250 376212687 /nfs/dbraw/zinc/21/26/87/376212687.db2.gz RMCPNNQAIPMKGB-INIZCTEOSA-N 2 1 291.439 2.941 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)s1 ZINC000151342962 378319137 /nfs/dbraw/zinc/31/91/37/378319137.db2.gz RAHUZOHOXGUNTQ-ZIAGYGMSSA-N 2 1 296.480 2.808 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccn1 ZINC000154573980 378581997 /nfs/dbraw/zinc/58/19/97/378581997.db2.gz VZOXWXNXCUVQIQ-ZFWWWQNUSA-N 2 1 270.380 2.812 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccn1 ZINC000154573980 378582001 /nfs/dbraw/zinc/58/20/01/378582001.db2.gz VZOXWXNXCUVQIQ-ZFWWWQNUSA-N 2 1 270.380 2.812 10 0 CFAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccn1 ZINC000159003436 378679504 /nfs/dbraw/zinc/67/95/04/378679504.db2.gz WTHAGYVROPBELF-OLZOCXBDSA-N 2 1 258.369 2.573 10 0 CFAEMP CCc1csc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979823 380498393 /nfs/dbraw/zinc/49/83/93/380498393.db2.gz ULCIKTNJGSRARI-CQSZACIVSA-N 2 1 293.480 2.885 10 0 CFAEMP CCC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCOCC1 ZINC000336619288 380560757 /nfs/dbraw/zinc/56/07/57/380560757.db2.gz MCWGDEXCVSIRTF-KRWDZBQOSA-N 2 1 280.456 2.611 10 0 CFAEMP C[C@@H]([NH2+]Cc1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000400457643 380862221 /nfs/dbraw/zinc/86/22/21/380862221.db2.gz SVZOBNZXYWININ-BDAKNGLRSA-N 2 1 289.242 2.598 10 0 CFAEMP C[C@@H](CC[NH2+]C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000379657182 382507367 /nfs/dbraw/zinc/50/73/67/382507367.db2.gz RXLVZOBYDFJMHZ-ZLPCBKJTSA-N 3 1 289.467 2.757 10 0 CFAEMP C[C@@H](CC[NH2+]C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000379657182 382507371 /nfs/dbraw/zinc/50/73/71/382507371.db2.gz RXLVZOBYDFJMHZ-ZLPCBKJTSA-N 2 1 289.467 2.757 10 0 CFAEMP C[C@H](CCN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638723 382507795 /nfs/dbraw/zinc/50/77/95/382507795.db2.gz ALDYBHYSMBKHOZ-SJLPKXTDSA-N 2 1 289.467 2.629 10 0 CFAEMP C[C@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638723 382507799 /nfs/dbraw/zinc/50/77/99/382507799.db2.gz ALDYBHYSMBKHOZ-SJLPKXTDSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638723 382507803 /nfs/dbraw/zinc/50/78/03/382507803.db2.gz ALDYBHYSMBKHOZ-SJLPKXTDSA-N 3 1 289.467 2.629 10 0 CFAEMP CC(C)[NH2+][C@](C)(CO)CCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000085240493 184607808 /nfs/dbraw/zinc/60/78/08/184607808.db2.gz GIEWIPFJTUJVCK-HOCLYGCPSA-N 2 1 270.461 2.636 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067049 383138851 /nfs/dbraw/zinc/13/88/51/383138851.db2.gz IJLGXYBFSXVCNN-BPQIPLTHSA-N 2 1 288.435 2.808 10 0 CFAEMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000583623128 383091783 /nfs/dbraw/zinc/09/17/83/383091783.db2.gz OUJGRILZOGLULO-GDBMZVCRSA-N 2 1 299.418 2.675 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247253744 383156873 /nfs/dbraw/zinc/15/68/73/383156873.db2.gz UDODRAXTZCNRKL-LSDHHAIUSA-N 2 1 277.412 2.652 10 0 CFAEMP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)n1 ZINC000247332765 383164682 /nfs/dbraw/zinc/16/46/82/383164682.db2.gz NAUGIOLJBSXURW-BXUZGUMPSA-N 2 1 274.412 2.803 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998179 383453552 /nfs/dbraw/zinc/45/35/52/383453552.db2.gz BUSMMPHWWXGIJS-HIFRSBDPSA-N 2 1 262.397 2.502 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]12 ZINC000261556326 383511595 /nfs/dbraw/zinc/51/15/95/383511595.db2.gz BWTPGFPRIUFITK-LERXQTSPSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]12 ZINC000261556326 383511603 /nfs/dbraw/zinc/51/16/03/383511603.db2.gz BWTPGFPRIUFITK-LERXQTSPSA-N 2 1 268.763 2.648 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261574214 383516826 /nfs/dbraw/zinc/51/68/26/383516826.db2.gz MOBSRLPMNQBCKL-AEGPPILISA-N 2 1 264.800 2.818 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261574218 383516850 /nfs/dbraw/zinc/51/68/50/383516850.db2.gz MOBSRLPMNQBCKL-QEJZJMRPSA-N 2 1 264.800 2.818 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261579406 383519006 /nfs/dbraw/zinc/51/90/06/383519006.db2.gz DUPUPBJMRPMZRX-UAGQMJEPSA-N 2 1 258.409 2.781 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587131 383520740 /nfs/dbraw/zinc/52/07/40/383520740.db2.gz JGQBVUVZNKZMQW-AEGPPILISA-N 2 1 256.349 2.602 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588738 383522653 /nfs/dbraw/zinc/52/26/53/383522653.db2.gz KIKOSWKDRVPLMF-GVDBMIGSSA-N 2 1 256.393 2.733 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593667 383523674 /nfs/dbraw/zinc/52/36/74/383523674.db2.gz NAQQZLDJXYDLHP-HZSPNIEDSA-N 2 1 266.335 2.793 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@@H]12 ZINC000261598153 383525328 /nfs/dbraw/zinc/52/53/28/383525328.db2.gz ATHVUKSTIIXQLZ-FVQBIDKESA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@@H]12 ZINC000261598153 383525334 /nfs/dbraw/zinc/52/53/34/383525334.db2.gz ATHVUKSTIIXQLZ-FVQBIDKESA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]12 ZINC000261626797 383532734 /nfs/dbraw/zinc/53/27/34/383532734.db2.gz HEPGMECZZOOKPN-NUEKZKHPSA-N 2 1 283.375 2.511 10 0 CFAEMP CCC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261933441 383581516 /nfs/dbraw/zinc/58/15/16/383581516.db2.gz LWOXMRAGQIXXQM-NHHFINERSA-N 2 1 294.483 2.950 10 0 CFAEMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261950053 383583958 /nfs/dbraw/zinc/58/39/58/383583958.db2.gz OCLDOHLHTOZWCS-OAGGEKHMSA-N 2 1 294.826 2.587 10 0 CFAEMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261950051 383584647 /nfs/dbraw/zinc/58/46/47/383584647.db2.gz OCLDOHLHTOZWCS-ARFHVFGLSA-N 2 1 294.826 2.587 10 0 CFAEMP CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262004330 383593637 /nfs/dbraw/zinc/59/36/37/383593637.db2.gz UWRMPMMHSWTJPZ-XHSDSOJGSA-N 2 1 294.464 2.557 10 0 CFAEMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C[C@@H]2C1 ZINC000262047211 383599673 /nfs/dbraw/zinc/59/96/73/383599673.db2.gz ZFGXTFGUFXGWSY-CJNLHWCBSA-N 2 1 292.467 2.702 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000261780989 383559621 /nfs/dbraw/zinc/55/96/21/383559621.db2.gz PNQMIGKIMLAJCP-VHRBIJSZSA-N 2 1 284.325 2.875 10 0 CFAEMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000262416902 383620576 /nfs/dbraw/zinc/62/05/76/383620576.db2.gz DRONQZZXRGMSPX-XIRDDKMYSA-N 2 1 297.402 2.819 10 0 CFAEMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000262416902 383620585 /nfs/dbraw/zinc/62/05/85/383620585.db2.gz DRONQZZXRGMSPX-XIRDDKMYSA-N 2 1 297.402 2.819 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000400330498 533460488 /nfs/dbraw/zinc/46/04/88/533460488.db2.gz FWBNCIIVOZLUMQ-GHMZBOCLSA-N 2 1 283.213 2.537 10 0 CFAEMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000020189370 393485786 /nfs/dbraw/zinc/48/57/86/393485786.db2.gz RTVMDDKBPFVORU-MRXNPFEDSA-N 2 1 274.408 2.973 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735747 393567247 /nfs/dbraw/zinc/56/72/47/393567247.db2.gz TWZVPQVCNUQJJC-JHJVBQTASA-N 2 1 260.372 2.729 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1C ZINC000045168315 393570254 /nfs/dbraw/zinc/57/02/54/393570254.db2.gz CBMMADOBNTUMMB-CYBMUJFWSA-N 2 1 278.444 2.656 10 0 CFAEMP CCC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195266436 393736457 /nfs/dbraw/zinc/73/64/57/393736457.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 1 267.442 2.615 10 0 CFAEMP CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231460446 393781817 /nfs/dbraw/zinc/78/18/17/393781817.db2.gz QXNNDADKUZOSLG-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638509 393820118 /nfs/dbraw/zinc/82/01/18/393820118.db2.gz CTANBIMKIQBPBV-GJZGRUSLSA-N 2 1 276.424 2.682 10 0 CFAEMP [NH3+]CC1CCN(c2cc[nH+]c3ccc(F)cc32)CC1 ZINC000073738580 134445720 /nfs/dbraw/zinc/44/57/20/134445720.db2.gz ICIRYGFZGHGEQQ-UHFFFAOYSA-N 2 1 259.328 2.549 10 0 CFAEMP c1cn(C[C@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)cn1 ZINC000188398297 543061640 /nfs/dbraw/zinc/06/16/40/543061640.db2.gz YZJPIZKVFZLHJR-QGZVFWFLSA-N 2 1 295.386 2.824 10 0 CFAEMP CC[N@@H+](CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022217752 171376302 /nfs/dbraw/zinc/37/63/02/171376302.db2.gz JULBGHXQTQKJBW-UHFFFAOYSA-N 2 1 289.423 2.738 10 0 CFAEMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209099 173030880 /nfs/dbraw/zinc/03/08/80/173030880.db2.gz ADESZHYKLIJJDG-DZGCQCFKSA-N 2 1 264.388 2.688 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000037210087 173031731 /nfs/dbraw/zinc/03/17/31/173031731.db2.gz HNXPYMQVHNRRMX-TZMCWYRMSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210087 173031733 /nfs/dbraw/zinc/03/17/33/173031733.db2.gz HNXPYMQVHNRRMX-TZMCWYRMSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210074 173031952 /nfs/dbraw/zinc/03/19/52/173031952.db2.gz CGTFUMMFLJYLMM-STQMWFEESA-N 2 1 252.427 2.611 10 0 CFAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1scnc1C ZINC000037211041 173032906 /nfs/dbraw/zinc/03/29/06/173032906.db2.gz DKYHROLVFJOSTP-NSHDSACASA-N 2 1 255.431 2.834 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229630 173049833 /nfs/dbraw/zinc/04/98/33/173049833.db2.gz OJTOZIBMBVKQMW-LLVKDONJSA-N 2 1 253.415 2.588 10 0 CFAEMP [NH3+]CCC[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000037299630 173103845 /nfs/dbraw/zinc/10/38/45/173103845.db2.gz LIMPSSFNXARGIM-UHFFFAOYSA-N 2 1 255.365 2.548 10 0 CFAEMP [NH3+]CCC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000037299630 173103846 /nfs/dbraw/zinc/10/38/46/173103846.db2.gz LIMPSSFNXARGIM-UHFFFAOYSA-N 2 1 255.365 2.548 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656608348 414616375 /nfs/dbraw/zinc/61/63/75/414616375.db2.gz JAMWYMJAFNCWCC-ZDUSSCGKSA-N 2 1 279.815 2.951 10 0 CFAEMP CC(C)=CC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096362 174110217 /nfs/dbraw/zinc/11/02/17/174110217.db2.gz GHOCPZIQJTUNDQ-MRXNPFEDSA-N 2 1 266.429 2.576 10 0 CFAEMP CCCCOCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000040506730 174301989 /nfs/dbraw/zinc/30/19/89/174301989.db2.gz UZJCJUWZDWTZHA-HUUCEWRRSA-N 2 1 256.434 2.513 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040592662 174347831 /nfs/dbraw/zinc/34/78/31/174347831.db2.gz DYOMRKOXBXEWQA-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040592662 174347832 /nfs/dbraw/zinc/34/78/32/174347832.db2.gz DYOMRKOXBXEWQA-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621500 174354526 /nfs/dbraw/zinc/35/45/26/174354526.db2.gz JLJGPEYPFDWSCN-WMLDXEAASA-N 2 1 258.409 2.994 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(O)cc2)C1 ZINC000040621298 174354983 /nfs/dbraw/zinc/35/49/83/174354983.db2.gz MKUFQPTYUZSJJC-UONOGXRCSA-N 2 1 262.397 2.773 10 0 CFAEMP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622566 174355921 /nfs/dbraw/zinc/35/59/21/174355921.db2.gz ZILSVIPOLSUWPY-SJORKVTESA-N 3 1 295.515 2.817 10 0 CFAEMP Cc1nc2sccn2c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622952 174356087 /nfs/dbraw/zinc/35/60/87/174356087.db2.gz CIKXYEPGIDNCRB-CYBMUJFWSA-N 2 1 292.452 2.524 10 0 CFAEMP Cc1nc2sccn2c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622952 174356088 /nfs/dbraw/zinc/35/60/88/174356088.db2.gz CIKXYEPGIDNCRB-CYBMUJFWSA-N 2 1 292.452 2.524 10 0 CFAEMP C[N@H+]1CCC[C@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000040715944 174383902 /nfs/dbraw/zinc/38/39/02/174383902.db2.gz KEJYBHNTPRYLPE-VIFPVBQESA-N 2 1 264.760 2.539 10 0 CFAEMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000040746505 174391636 /nfs/dbraw/zinc/39/16/36/174391636.db2.gz HQTMTZUUJNVUGL-XYPWUTKMSA-N 2 1 283.419 2.893 10 0 CFAEMP CC[N@@H+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747491 174392713 /nfs/dbraw/zinc/39/27/13/174392713.db2.gz XSOSYFZQLITZQL-SJPCQFCGSA-N 2 1 258.409 2.834 10 0 CFAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000043423039 175039223 /nfs/dbraw/zinc/03/92/23/175039223.db2.gz HETPXJQVYQPJOJ-UHFFFAOYSA-N 2 1 251.349 2.610 10 0 CFAEMP COc1ccc(C[N@@H+](CCC(N)=[NH2+])CC(C)C)cc1F ZINC000043422978 175039341 /nfs/dbraw/zinc/03/93/41/175039341.db2.gz QLYBGZBDMDGPPQ-UHFFFAOYSA-N 2 1 281.375 2.618 10 0 CFAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511975 175060766 /nfs/dbraw/zinc/06/07/66/175060766.db2.gz MNDRSDMZIIGTPD-SNVBAGLBSA-N 2 1 260.303 2.732 10 0 CFAEMP COc1cc2[nH]c(CC[C@@H]3CCC[NH2+]C3)[nH+]c2cc1OC ZINC000043586070 175071384 /nfs/dbraw/zinc/07/13/84/175071384.db2.gz PKLZRWPMVUEHKH-NSHDSACASA-N 2 1 289.379 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CC)C1CCCCC1 ZINC000043804293 175107346 /nfs/dbraw/zinc/10/73/46/175107346.db2.gz DKHCQIGMODDRNN-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CC)C1CCCCC1 ZINC000043804293 175107347 /nfs/dbraw/zinc/10/73/47/175107347.db2.gz DKHCQIGMODDRNN-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000043818261 175112939 /nfs/dbraw/zinc/11/29/39/175112939.db2.gz NCKUOYTWEXJKFW-QAPCUYQASA-N 2 1 289.467 2.536 10 0 CFAEMP C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000043818135 175113045 /nfs/dbraw/zinc/11/30/45/175113045.db2.gz IUQCLWATYRSMIW-QZTJIDSGSA-N 2 1 289.467 2.609 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818541 175113850 /nfs/dbraw/zinc/11/38/50/175113850.db2.gz WEGZFIPYUREHOL-SJORKVTESA-N 2 1 281.488 2.715 10 0 CFAEMP CCC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccccc1C ZINC000043818576 175113925 /nfs/dbraw/zinc/11/39/25/175113925.db2.gz NVJSSFPQILFGBF-SFHVURJKSA-N 2 1 289.467 2.673 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CCC)C1CC1)OCCO2 ZINC000043885743 175116561 /nfs/dbraw/zinc/11/65/61/175116561.db2.gz UHETWDIEAOMZKH-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CCC)C1CC1)OCCO2 ZINC000043885743 175116562 /nfs/dbraw/zinc/11/65/62/175116562.db2.gz UHETWDIEAOMZKH-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890349 175118178 /nfs/dbraw/zinc/11/81/78/175118178.db2.gz OGHYNRLUUSJGLW-BPUTZDHNSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[NH+]1CCC(OC)CC1 ZINC000043890261 175118260 /nfs/dbraw/zinc/11/82/60/175118260.db2.gz XQFZJKDROXUDBG-CABCVRRESA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904895 175122458 /nfs/dbraw/zinc/12/24/58/175122458.db2.gz VCSJXSGLFIJAGM-JYJNAYRXSA-N 2 1 296.455 2.525 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966848 175127828 /nfs/dbraw/zinc/12/78/28/175127828.db2.gz NVLXEGAGQDICSA-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966848 175127829 /nfs/dbraw/zinc/12/78/29/175127829.db2.gz NVLXEGAGQDICSA-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970723 175132260 /nfs/dbraw/zinc/13/22/60/175132260.db2.gz VLPBUHDBVQKQEK-DLBZAZTESA-N 3 1 283.504 2.817 10 0 CFAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043973089 175132979 /nfs/dbraw/zinc/13/29/79/175132979.db2.gz ODBGWAMRJHQIPV-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H](C)CC[N@@H+](CCOC)C(CC)CC ZINC000043977264 175133563 /nfs/dbraw/zinc/13/35/63/175133563.db2.gz SNOMZWFOTOQLOU-AWEZNQCLSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981745 175133923 /nfs/dbraw/zinc/13/39/23/175133923.db2.gz FFNZXVYAUFZFMW-QXSJWSMHSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981745 175133924 /nfs/dbraw/zinc/13/39/24/175133924.db2.gz FFNZXVYAUFZFMW-QXSJWSMHSA-N 2 1 270.461 2.900 10 0 CFAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)c1cc2ccccc2o1 ZINC000043994039 175136277 /nfs/dbraw/zinc/13/62/77/175136277.db2.gz SBUCKTMYOIERER-ZDUSSCGKSA-N 2 1 255.321 2.898 10 0 CFAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)C12CC3CC(CC(C3)C1)C2 ZINC000043994463 175136514 /nfs/dbraw/zinc/13/65/14/175136514.db2.gz QDKZMIMPJJRSDQ-KLZNEWFBSA-N 2 1 273.424 2.996 10 0 CFAEMP CCOc1ccc([C@H](Cn2cc[nH+]c2C)[NH2+]C)cc1 ZINC000043994479 175136659 /nfs/dbraw/zinc/13/66/59/175136659.db2.gz RLSZLSHDEMZTRF-HNNXBMFYSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1OC ZINC000043994138 175136681 /nfs/dbraw/zinc/13/66/81/175136681.db2.gz HUAUQYMEJXQURE-HNNXBMFYSA-N 2 1 289.379 2.560 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1CC)c1ccc(OC)cc1 ZINC000044036883 175139742 /nfs/dbraw/zinc/13/97/42/175139742.db2.gz BXIQBPURLAMARI-OAHLLOKOSA-N 2 1 273.380 2.805 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000044036558 175139853 /nfs/dbraw/zinc/13/98/53/175139853.db2.gz RMYFCJSRIKARPV-WBVHZDCISA-N 2 1 285.391 2.902 10 0 CFAEMP CC[NH2+][C@@H]1c2ccccc2C[C@H]1n1cc[nH+]c1CC ZINC000044036894 175140042 /nfs/dbraw/zinc/14/00/42/175140042.db2.gz NMIUILZDQMINBP-GDBMZVCRSA-N 2 1 255.365 2.894 10 0 CFAEMP CCc1ccc([C@H](O)[C@@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000044133123 175145364 /nfs/dbraw/zinc/14/53/64/175145364.db2.gz FUODVRHASRDOPW-RDTXWAMCSA-N 2 1 290.451 2.697 10 0 CFAEMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000044533019 175196108 /nfs/dbraw/zinc/19/61/08/175196108.db2.gz QFTKNYDCOZZQNT-XJKSGUPXSA-N 2 1 276.449 2.906 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000044533019 175196110 /nfs/dbraw/zinc/19/61/10/175196110.db2.gz QFTKNYDCOZZQNT-XJKSGUPXSA-N 2 1 276.449 2.906 10 0 CFAEMP COc1ccccc1C[NH2+]CCCC[N@@H+](C)C(C)C ZINC000044573249 175210301 /nfs/dbraw/zinc/21/03/01/175210301.db2.gz WCCPBAYLOVXIDI-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)cc1OC ZINC000044573222 175210344 /nfs/dbraw/zinc/21/03/44/175210344.db2.gz MMKDRVICABONQE-UHFFFAOYSA-N 2 1 294.439 2.914 10 0 CFAEMP [NH3+][C@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675793 175227126 /nfs/dbraw/zinc/22/71/26/175227126.db2.gz YGKIGFDLESUMLI-KSZLIROESA-N 2 1 266.388 2.702 10 0 CFAEMP Nc1[nH+]c2cccc(Cl)c2n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726528 175238787 /nfs/dbraw/zinc/23/87/87/175238787.db2.gz RJQBDZDRMCUWDJ-JTQLQIEISA-N 2 1 276.771 2.681 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732360 175240993 /nfs/dbraw/zinc/24/09/93/175240993.db2.gz YSNNKYYSHXHDCS-MRXNPFEDSA-N 2 1 271.364 2.607 10 0 CFAEMP C[N@@H+](CCOc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068397 175300136 /nfs/dbraw/zinc/30/01/36/175300136.db2.gz YITSJPPCXVKVJC-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP [NH3+]Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045069367 175300656 /nfs/dbraw/zinc/30/06/56/175300656.db2.gz YBMMOYAIZFFKPR-MSOLQXFVSA-N 2 1 288.435 2.833 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000045168532 175319982 /nfs/dbraw/zinc/31/99/82/175319982.db2.gz LQHGKBUYTJAILZ-LLVKDONJSA-N 2 1 292.471 2.997 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1C ZINC000045172566 175322011 /nfs/dbraw/zinc/32/20/11/175322011.db2.gz BVVFLBJRMATFSP-NEPJUHHUSA-N 2 1 266.433 2.511 10 0 CFAEMP CCCCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045278652 175349305 /nfs/dbraw/zinc/34/93/05/175349305.db2.gz SWHMYEZWPZXJKG-INIZCTEOSA-N 2 1 285.476 2.519 10 0 CFAEMP CCCCC[N@@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045278652 175349306 /nfs/dbraw/zinc/34/93/06/175349306.db2.gz SWHMYEZWPZXJKG-INIZCTEOSA-N 2 1 285.476 2.519 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C1CCCCC1)[NH2+]C ZINC000045372423 175365105 /nfs/dbraw/zinc/36/51/05/175365105.db2.gz ZCTQZNUXMTZVIC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CCCCC1)[NH2+]C ZINC000045372423 175365107 /nfs/dbraw/zinc/36/51/07/175365107.db2.gz ZCTQZNUXMTZVIC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375857 175366319 /nfs/dbraw/zinc/36/63/19/175366319.db2.gz YSZMRKDCTSKUIR-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382229 175371300 /nfs/dbraw/zinc/37/13/00/175371300.db2.gz JKDDWRQVPLENBM-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382229 175371302 /nfs/dbraw/zinc/37/13/02/175371302.db2.gz JKDDWRQVPLENBM-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C ZINC000045384673 175371675 /nfs/dbraw/zinc/37/16/75/175371675.db2.gz QKCBWWREMZSLJR-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C ZINC000045384673 175371677 /nfs/dbraw/zinc/37/16/77/175371677.db2.gz QKCBWWREMZSLJR-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387439 175372638 /nfs/dbraw/zinc/37/26/38/175372638.db2.gz JYMWVXOPRIYEBT-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387439 175372639 /nfs/dbraw/zinc/37/26/39/175372639.db2.gz JYMWVXOPRIYEBT-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386398 175372651 /nfs/dbraw/zinc/37/26/51/175372651.db2.gz FBCXUUPXQXVOHI-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386398 175372652 /nfs/dbraw/zinc/37/26/52/175372652.db2.gz FBCXUUPXQXVOHI-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)C1CCCC1 ZINC000045390455 175374680 /nfs/dbraw/zinc/37/46/80/175374680.db2.gz JPOVATIZUSYUEY-INIZCTEOSA-N 2 1 284.444 2.702 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)C(CC)CC ZINC000045391402 175374874 /nfs/dbraw/zinc/37/48/74/175374874.db2.gz CBIFYPHISRIGQI-OAHLLOKOSA-N 2 1 272.433 2.558 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045391967 175375463 /nfs/dbraw/zinc/37/54/63/175375463.db2.gz HGNHIRFMZRAFJP-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045391967 175375464 /nfs/dbraw/zinc/37/54/64/175375464.db2.gz HGNHIRFMZRAFJP-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CCCC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045421732 175380356 /nfs/dbraw/zinc/38/03/56/175380356.db2.gz LVDYTQJWFLPYEJ-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190404 176066762 /nfs/dbraw/zinc/06/67/62/176066762.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190404 176066763 /nfs/dbraw/zinc/06/67/63/176066763.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190404 176066764 /nfs/dbraw/zinc/06/67/64/176066764.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400391703 420503633 /nfs/dbraw/zinc/50/36/33/420503633.db2.gz ASEQBLIZBZVXNF-FIQHERPVSA-N 2 1 264.335 2.838 10 0 CFAEMP CCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262002892 275966670 /nfs/dbraw/zinc/96/66/70/275966670.db2.gz USBOKBPOORPVON-IRKLFDGPSA-N 2 1 280.456 2.702 10 0 CFAEMP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000085630998 277898162 /nfs/dbraw/zinc/89/81/62/277898162.db2.gz IKSNZHDEUPJODC-JONQDZQNSA-N 2 1 280.456 2.510 10 0 CFAEMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000261975704 278463154 /nfs/dbraw/zinc/46/31/54/278463154.db2.gz RAOPJALFSGGHHC-ARFHVFGLSA-N 2 1 280.456 2.704 10 0 CFAEMP Cc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037256211 302060481 /nfs/dbraw/zinc/06/04/81/302060481.db2.gz OBWYZSWRUXTJHI-MRXNPFEDSA-N 2 1 274.408 2.893 10 0 CFAEMP CC(C)CC[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197849 519650484 /nfs/dbraw/zinc/65/04/84/519650484.db2.gz DXYQJXTUUAZLIP-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181785 519719799 /nfs/dbraw/zinc/71/97/99/519719799.db2.gz KTFNFSWKIFDVRP-CQSZACIVSA-N 2 1 268.445 2.512 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012742 519725341 /nfs/dbraw/zinc/72/53/41/519725341.db2.gz QQROGCCQLHELAX-CQSZACIVSA-N 2 1 250.361 2.646 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012742 519725343 /nfs/dbraw/zinc/72/53/43/519725343.db2.gz QQROGCCQLHELAX-CQSZACIVSA-N 2 1 250.361 2.646 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198217 519913825 /nfs/dbraw/zinc/91/38/25/519913825.db2.gz FDHNNWCYDCCWAW-CABCVRRESA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504561 519923802 /nfs/dbraw/zinc/92/38/02/519923802.db2.gz KBMLAGJKOFBEDO-KKUMJFAQSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CC[C@H](C)C2)c1 ZINC000052484474 520005681 /nfs/dbraw/zinc/00/56/81/520005681.db2.gz VOMDUFQMSMLSKS-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000052378461 520021054 /nfs/dbraw/zinc/02/10/54/520021054.db2.gz ZICJQDBFSXHKME-NSHDSACASA-N 2 1 253.415 2.627 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCCC[C@@H]2C)cs1 ZINC000052378461 520021059 /nfs/dbraw/zinc/02/10/59/520021059.db2.gz ZICJQDBFSXHKME-NSHDSACASA-N 2 1 253.415 2.627 10 0 CFAEMP CCC(C)(C)[N@@H+](C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069443759 521305416 /nfs/dbraw/zinc/30/54/16/521305416.db2.gz GPRPMTDTNNFKOO-MRXNPFEDSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181194 522050241 /nfs/dbraw/zinc/05/02/41/522050241.db2.gz KKARTDWPUGKZGX-OAHLLOKOSA-N 2 1 270.461 2.759 10 0 CFAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccoc1C ZINC000052346621 522133544 /nfs/dbraw/zinc/13/35/44/522133544.db2.gz XPGKKPXTNLDMIM-UHFFFAOYSA-N 2 1 258.365 2.939 10 0 CFAEMP C(C[C@@H]1CCCC[NH2+]1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000050952999 518393810 /nfs/dbraw/zinc/39/38/10/518393810.db2.gz VXRFGKMQKVSBBH-KRWDZBQOSA-N 2 1 293.499 2.859 10 0 CFAEMP CC(C)[N@@H+](Cc1cc(C[NH2+]C2CC2)no1)CC1CC1 ZINC000052345773 519654204 /nfs/dbraw/zinc/65/42/04/519654204.db2.gz ICJXSDNZFXRJRL-UHFFFAOYSA-N 2 1 263.385 2.547 10 0 CFAEMP CC(C)[N@H+](Cc1cc(C[NH2+]C2CC2)no1)CC1CC1 ZINC000052345773 519654205 /nfs/dbraw/zinc/65/42/05/519654205.db2.gz ICJXSDNZFXRJRL-UHFFFAOYSA-N 2 1 263.385 2.547 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197542 519719650 /nfs/dbraw/zinc/71/96/50/519719650.db2.gz WZUBNVYROLHRTE-UHFFFAOYSA-N 2 1 270.461 2.759 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417534 519724077 /nfs/dbraw/zinc/72/40/77/519724077.db2.gz JOZHCYANTIQTLO-DLBZAZTESA-N 2 1 276.424 2.664 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417537 519725152 /nfs/dbraw/zinc/72/51/52/519725152.db2.gz JOZHCYANTIQTLO-SJORKVTESA-N 2 1 276.424 2.664 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](Cc2ccco2)C2CC2)O1 ZINC000052370920 519725715 /nfs/dbraw/zinc/72/57/15/519725715.db2.gz GNRTWCGGBFMJBQ-NVXWUHKLSA-N 2 1 292.423 2.790 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416601 519725796 /nfs/dbraw/zinc/72/57/96/519725796.db2.gz WQZJDDMFHOTRLO-CABCVRRESA-N 2 1 294.464 2.652 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423939 519743793 /nfs/dbraw/zinc/74/37/93/519743793.db2.gz KXFWRSRRRCQMBS-INIZCTEOSA-N 2 1 277.456 2.970 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483020 519745754 /nfs/dbraw/zinc/74/57/54/519745754.db2.gz YLTPDEKRIUITDV-QGZVFWFLSA-N 2 1 277.456 2.826 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483020 519745756 /nfs/dbraw/zinc/74/57/56/519745756.db2.gz YLTPDEKRIUITDV-QGZVFWFLSA-N 2 1 277.456 2.826 10 0 CFAEMP CC(C)C[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453179 519747993 /nfs/dbraw/zinc/74/79/93/519747993.db2.gz LZFIISCDIWEHEU-CQSZACIVSA-N 2 1 282.453 2.963 10 0 CFAEMP CCC1CCC([N@@H+](C)Cc2cc[nH+]c(NN)c2)CC1 ZINC000052722164 519853228 /nfs/dbraw/zinc/85/32/28/519853228.db2.gz IDALZFVKQAYPCI-UHFFFAOYSA-N 2 1 262.401 2.768 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023469 519880683 /nfs/dbraw/zinc/88/06/83/519880683.db2.gz DGYBSQXTNNMZHW-CYBMUJFWSA-N 2 1 256.353 2.922 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181821 519911032 /nfs/dbraw/zinc/91/10/32/519911032.db2.gz VOKWVSYZGVECBM-INIZCTEOSA-N 2 1 282.472 2.905 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181992 519913483 /nfs/dbraw/zinc/91/34/83/519913483.db2.gz GORRTLYEMVMMCM-IAGOWNOFSA-N 2 1 294.483 2.905 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)[C@@H](C)CC)O1 ZINC000052451468 519938134 /nfs/dbraw/zinc/93/81/34/519938134.db2.gz VWKWJIQBBCBVFE-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504559 519938612 /nfs/dbraw/zinc/93/86/12/519938612.db2.gz KBMLAGJKOFBEDO-RRFJBIMHSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)o1 ZINC000052503318 519947989 /nfs/dbraw/zinc/94/79/89/519947989.db2.gz NIQXXFZJTKHYQH-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)o1 ZINC000052503318 519947995 /nfs/dbraw/zinc/94/79/95/519947995.db2.gz NIQXXFZJTKHYQH-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CC[NH2+]Cc1cc(C)c(OCCn2cc[nH+]c2C)c(C)c1 ZINC000049329390 519984649 /nfs/dbraw/zinc/98/46/49/519984649.db2.gz KGWZSRRVLIBWPG-UHFFFAOYSA-N 2 1 287.407 2.997 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@H]2C)c1 ZINC000052375869 520005663 /nfs/dbraw/zinc/00/56/63/520005663.db2.gz AUNJHKSPBNRGOS-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000052484475 520006235 /nfs/dbraw/zinc/00/62/35/520006235.db2.gz VOMDUFQMSMLSKS-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@@H]2C)c1 ZINC000052375867 520006581 /nfs/dbraw/zinc/00/65/81/520006581.db2.gz AUNJHKSPBNRGOS-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000052444143 520006608 /nfs/dbraw/zinc/00/66/08/520006608.db2.gz RQQYKRWYFRQPOE-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](CC)C2CC2)c1 ZINC000052452020 520006748 /nfs/dbraw/zinc/00/67/48/520006748.db2.gz KXARGUUYIIQMGJ-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431426 520093241 /nfs/dbraw/zinc/09/32/41/520093241.db2.gz LUZBAUOTWHWHNR-LSDHHAIUSA-N 2 1 298.471 2.771 10 0 CFAEMP CC[N@@H+](C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052446125 520239626 /nfs/dbraw/zinc/23/96/26/520239626.db2.gz PORIHFQJFHLEHZ-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[N@@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052446083 520240428 /nfs/dbraw/zinc/24/04/28/520240428.db2.gz SYTWIKWBSOUCDL-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CCO[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)C1 ZINC000052372263 520319472 /nfs/dbraw/zinc/31/94/72/520319472.db2.gz LFPDEJFMINKCDG-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH2+]C)CCOCC1)[C@H](C)CC ZINC000052198192 520483041 /nfs/dbraw/zinc/48/30/41/520483041.db2.gz LNJUKQDPFHOFPG-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CC1(C)C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052481840 520488997 /nfs/dbraw/zinc/48/89/97/520488997.db2.gz DPWOUEOFSYMGSF-UHFFFAOYSA-N 2 1 274.364 2.502 10 0 CFAEMP CC1(C)C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052481840 520489004 /nfs/dbraw/zinc/48/90/04/520489004.db2.gz DPWOUEOFSYMGSF-UHFFFAOYSA-N 2 1 274.364 2.502 10 0 CFAEMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231668446 521174906 /nfs/dbraw/zinc/17/49/06/521174906.db2.gz XQXWYDYQBAJJIE-OAHLLOKOSA-N 2 1 292.423 2.538 10 0 CFAEMP CCOc1ccc([C@H](C)[NH3+])cc1Cn1c[nH+]c(C)c1C ZINC000051926253 521250181 /nfs/dbraw/zinc/25/01/81/521250181.db2.gz WPRKESTZFOJLQP-NSHDSACASA-N 2 1 273.380 2.967 10 0 CFAEMP CC[N@H+](Cc1ccncc1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052515125 521422304 /nfs/dbraw/zinc/42/23/04/521422304.db2.gz BZVIAOGMXCPCSA-HNNXBMFYSA-N 2 1 263.429 2.928 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052515125 521422306 /nfs/dbraw/zinc/42/23/06/521422306.db2.gz BZVIAOGMXCPCSA-HNNXBMFYSA-N 2 1 263.429 2.928 10 0 CFAEMP CCC[N@@H+](CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181215 521605516 /nfs/dbraw/zinc/60/55/16/521605516.db2.gz BDBLPVUAQNVBRZ-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CCC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)C(C)C ZINC000052181409 521618329 /nfs/dbraw/zinc/61/83/29/521618329.db2.gz OORQKNJIMUGEGU-UHFFFAOYSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[N@H+]1CCC[C@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000049220602 521651249 /nfs/dbraw/zinc/65/12/49/521651249.db2.gz ZXKMVRKPBGWAQR-JTQLQIEISA-N 2 1 278.787 2.929 10 0 CFAEMP CCC[N@@H+](CCCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052544248 521652086 /nfs/dbraw/zinc/65/20/86/521652086.db2.gz NOJJOWACGQPUOQ-UHFFFAOYSA-N 2 1 271.493 2.818 10 0 CFAEMP CCc1cccc2c(C[N@H+]3CC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000050245473 521793953 /nfs/dbraw/zinc/79/39/53/521793953.db2.gz MUYIUHNENBKVKY-LBPRGKRZSA-N 2 1 257.381 2.511 10 0 CFAEMP CCc1ccccc1[C@H](CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052203796 521953369 /nfs/dbraw/zinc/95/33/69/521953369.db2.gz JDORKCYWRFZBPJ-SFHVURJKSA-N 2 1 289.467 2.522 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182765 521970331 /nfs/dbraw/zinc/97/03/31/521970331.db2.gz FJFNFTDWDKTOQS-MRXNPFEDSA-N 2 1 280.456 2.657 10 0 CFAEMP C[NH2+]C[C@@H](O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000061702384 522037724 /nfs/dbraw/zinc/03/77/24/522037724.db2.gz BGHBRXWFFQSDBK-IAGOWNOFSA-N 2 1 276.424 2.522 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2)C(C)C)O1 ZINC000052417210 522095255 /nfs/dbraw/zinc/09/52/55/522095255.db2.gz FEGWTICMUPQSNF-IAGOWNOFSA-N 2 1 276.424 2.664 10 0 CFAEMP C[NH2+]Cc1oc2ccccc2c1Cn1cc[nH+]c1C ZINC000052576086 522161859 /nfs/dbraw/zinc/16/18/59/522161859.db2.gz AJBNJGPRIBFZNJ-UHFFFAOYSA-N 2 1 255.321 2.705 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000192573141 522594048 /nfs/dbraw/zinc/59/40/48/522594048.db2.gz ALECHSNKEVDSAL-CQSZACIVSA-N 2 1 270.380 2.990 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000192573155 522598447 /nfs/dbraw/zinc/59/84/47/522598447.db2.gz ALECHSNKEVDSAL-AWEZNQCLSA-N 2 1 270.380 2.990 10 0 CFAEMP C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669527 522912446 /nfs/dbraw/zinc/91/24/46/522912446.db2.gz BBMFPEPZPCZDCG-CQSZACIVSA-N 2 1 282.815 2.793 10 0 CFAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCC[NH2+]CC(C)C ZINC000052571157 523514547 /nfs/dbraw/zinc/51/45/47/523514547.db2.gz YRRWJCYLAONMKR-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1C ZINC000062079357 523659476 /nfs/dbraw/zinc/65/94/76/523659476.db2.gz VGSXUFKIIGPLNC-ZIAGYGMSSA-N 2 1 292.471 2.902 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1C ZINC000062079361 523662499 /nfs/dbraw/zinc/66/24/99/523662499.db2.gz VGSXUFKIIGPLNC-KGLIPLIRSA-N 2 1 292.471 2.902 10 0 CFAEMP COc1ccc(C)cc1C[N@H+](CCC(N)=[NH2+])C(C)C ZINC000050704461 523810366 /nfs/dbraw/zinc/81/03/66/523810366.db2.gz XSASMMYWYGYSGL-UHFFFAOYSA-N 2 1 263.385 2.540 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](CCC(N)=[NH2+])C(C)C ZINC000050704461 523810372 /nfs/dbraw/zinc/81/03/72/523810372.db2.gz XSASMMYWYGYSGL-UHFFFAOYSA-N 2 1 263.385 2.540 10 0 CFAEMP CC[C@H](C)[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181184 523914559 /nfs/dbraw/zinc/91/45/59/523914559.db2.gz DUBTZHUVHWLVQO-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP C[C@H](CC[NH2+]C1CC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346251 524194478 /nfs/dbraw/zinc/19/44/78/524194478.db2.gz QFJPYSVNEYNBBR-GFCCVEGCSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000061815912 524351595 /nfs/dbraw/zinc/35/15/95/524351595.db2.gz VLGAAEKUGDKYML-GJZGRUSLSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000049554340 524479109 /nfs/dbraw/zinc/47/91/09/524479109.db2.gz WFYCBQDYASRLMZ-SWLSCSKDSA-N 2 1 264.438 2.904 10 0 CFAEMP C[C@H](Cc1ccco1)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205748 524747318 /nfs/dbraw/zinc/74/73/18/524747318.db2.gz GMAMQFCKSDJHQZ-ZIAGYGMSSA-N 2 1 250.386 2.675 10 0 CFAEMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235157135 524902902 /nfs/dbraw/zinc/90/29/02/524902902.db2.gz YGFYNQQAMXCFQT-FZMZJTMJSA-N 2 1 252.789 2.613 10 0 CFAEMP C[C@@H](Cc1ccco1)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205743 524927137 /nfs/dbraw/zinc/92/71/37/524927137.db2.gz GMAMQFCKSDJHQZ-KBPBESRZSA-N 2 1 250.386 2.675 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2c(C[NH3+])oc3ccccc32)C[C@H](C)O1 ZINC000052380404 524980479 /nfs/dbraw/zinc/98/04/79/524980479.db2.gz MFCYFAQQGJZJRV-TXEJJXNPSA-N 2 1 274.364 2.501 10 0 CFAEMP C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052476051 525127558 /nfs/dbraw/zinc/12/75/58/525127558.db2.gz YMMRUCNGHYXMIO-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052476051 525127564 /nfs/dbraw/zinc/12/75/64/525127564.db2.gz YMMRUCNGHYXMIO-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000050563667 525639796 /nfs/dbraw/zinc/63/97/96/525639796.db2.gz COPDTEAFGUSDSU-UONOGXRCSA-N 2 1 289.423 2.594 10 0 CFAEMP [NH3+]C[C@@]1([NH+]2Cc3ccccc3C2)CCc2ccccc2C1 ZINC000050910543 527222898 /nfs/dbraw/zinc/22/28/98/527222898.db2.gz PCKHPZFWDOMXGL-LJQANCHMSA-N 2 1 278.399 2.889 10 0 CFAEMP [NH3+]Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061702143 527257735 /nfs/dbraw/zinc/25/77/35/527257735.db2.gz POOUNTKKFBBTNS-GOSISDBHSA-N 2 1 282.387 2.799 10 0 CFAEMP C/C(=C/c1ccco1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000096786403 618189804 /nfs/dbraw/zinc/18/98/04/618189804.db2.gz BXOYCRAQIMQUTH-SCOADAFUSA-N 2 1 260.381 2.758 10 0 CFAEMP C/C(=C/c1ccco1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000096786403 618189805 /nfs/dbraw/zinc/18/98/05/618189805.db2.gz BXOYCRAQIMQUTH-SCOADAFUSA-N 2 1 260.381 2.758 10 0 CFAEMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[NH2+]1 ZINC000052783354 618197625 /nfs/dbraw/zinc/19/76/25/618197625.db2.gz CTJTUYHCTCIMPD-JTQLQIEISA-N 2 1 261.756 2.686 10 0 CFAEMP C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941673 625149872 /nfs/dbraw/zinc/14/98/72/625149872.db2.gz ZMWRMSXYYXKLEU-QHEDDYRISA-N 2 1 278.440 2.551 10 0 CFAEMP CC1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000252865923 651027648 /nfs/dbraw/zinc/02/76/48/651027648.db2.gz QAOCKPFJSTZORK-SVXVCFNTSA-N 2 1 250.430 2.872 10 0 CFAEMP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000133588471 646166012 /nfs/dbraw/zinc/16/60/12/646166012.db2.gz UQUSYSMHSSCUNX-SFHVURJKSA-N 2 1 289.467 2.760 10 0 CFAEMP CC[C@H]1C[NH2+]C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096950601 185139503 /nfs/dbraw/zinc/13/95/03/185139503.db2.gz RVKLADLAEWNDNI-DLBZAZTESA-N 2 1 258.409 2.898 10 0 CFAEMP O[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000037164652 346327916 /nfs/dbraw/zinc/32/79/16/346327916.db2.gz NEABEQRHLPTZBX-ROUUACIJSA-N 2 1 288.435 2.544 10 0 CFAEMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817359 179344971 /nfs/dbraw/zinc/34/49/71/179344971.db2.gz WQEDXFIHSPHZHO-UONOGXRCSA-N 2 1 250.386 2.675 10 0 CFAEMP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818695 179346514 /nfs/dbraw/zinc/34/65/14/179346514.db2.gz ZERAVGKIJQXAQZ-QWHCGFSZSA-N 2 1 282.378 2.970 10 0 CFAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818245 179346980 /nfs/dbraw/zinc/34/69/80/179346980.db2.gz ZFBVLAAVUQDTLV-GXTWGEPZSA-N 2 1 280.387 2.969 10 0 CFAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818245 179346981 /nfs/dbraw/zinc/34/69/81/179346981.db2.gz ZFBVLAAVUQDTLV-GXTWGEPZSA-N 2 1 280.387 2.969 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848391 179356176 /nfs/dbraw/zinc/35/61/76/179356176.db2.gz KRAZHLLKFDMGAI-QGZVFWFLSA-N 2 1 293.430 2.855 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2cccc(F)c2)CC1 ZINC000086837485 179351122 /nfs/dbraw/zinc/35/11/22/179351122.db2.gz VFYLOSYJTHRZJA-INIZCTEOSA-N 2 1 264.388 2.832 10 0 CFAEMP Cc1cccnc1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844924 179354793 /nfs/dbraw/zinc/35/47/93/179354793.db2.gz YNOHXCMKZKFEID-OAHLLOKOSA-N 2 1 261.413 2.743 10 0 CFAEMP Cc1cccnc1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844924 179354794 /nfs/dbraw/zinc/35/47/94/179354794.db2.gz YNOHXCMKZKFEID-OAHLLOKOSA-N 2 1 261.413 2.743 10 0 CFAEMP Cc1nc(C)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000328639893 348441834 /nfs/dbraw/zinc/44/18/34/348441834.db2.gz PUCXYOJFIRJTGZ-CYBMUJFWSA-N 2 1 290.436 2.651 10 0 CFAEMP Cc1nc(C)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000328639893 348441838 /nfs/dbraw/zinc/44/18/38/348441838.db2.gz PUCXYOJFIRJTGZ-CYBMUJFWSA-N 2 1 290.436 2.651 10 0 CFAEMP C[N@@H+](Cc1nc2ccccc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328635653 348442073 /nfs/dbraw/zinc/44/20/73/348442073.db2.gz NNQYTOYXRGJKLD-CYBMUJFWSA-N 2 1 296.374 2.719 10 0 CFAEMP C[N@H+](Cc1nc2ccccc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328635653 348442076 /nfs/dbraw/zinc/44/20/76/348442076.db2.gz NNQYTOYXRGJKLD-CYBMUJFWSA-N 2 1 296.374 2.719 10 0 CFAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000105915589 186089094 /nfs/dbraw/zinc/08/90/94/186089094.db2.gz XHLUQGUNPAYUFH-MRXNPFEDSA-N 2 1 290.451 2.520 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837835 355601500 /nfs/dbraw/zinc/60/15/00/355601500.db2.gz GAPXNTPPUIIBIW-MFKMUULPSA-N 2 1 254.324 2.651 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839533 355602371 /nfs/dbraw/zinc/60/23/71/355602371.db2.gz HIKIXPAIEJAFCC-ZFWWWQNUSA-N 2 1 262.397 2.500 10 0 CFAEMP COc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1F ZINC000151964808 540401602 /nfs/dbraw/zinc/40/16/02/540401602.db2.gz UPHKCONDABZNKD-AWEZNQCLSA-N 2 1 289.354 2.695 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000180892204 189282028 /nfs/dbraw/zinc/28/20/28/189282028.db2.gz PJRAOTUMQZWAHZ-UKRRQHHQSA-N 2 1 292.423 2.839 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420792 296149294 /nfs/dbraw/zinc/14/92/94/296149294.db2.gz WUVVIUMKWJTHOX-TUAOUCFPSA-N 2 1 252.789 2.989 10 0 CFAEMP CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000085631001 374801676 /nfs/dbraw/zinc/80/16/76/374801676.db2.gz IKSNZHDEUPJODC-FZKCQIBNSA-N 2 1 280.456 2.510 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccn3C)C2)[nH+]1 ZINC000092813406 375161121 /nfs/dbraw/zinc/16/11/21/375161121.db2.gz CPCSBHVZHPLYJL-OAHLLOKOSA-N 2 1 284.407 2.663 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccn3C)C2)[nH+]1 ZINC000092813406 375161123 /nfs/dbraw/zinc/16/11/23/375161123.db2.gz CPCSBHVZHPLYJL-OAHLLOKOSA-N 2 1 284.407 2.663 10 0 CFAEMP C[N@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000111824663 375871868 /nfs/dbraw/zinc/87/18/68/375871868.db2.gz LOXIRZRWEADHRZ-CYBMUJFWSA-N 2 1 252.789 2.914 10 0 CFAEMP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000111824663 375871870 /nfs/dbraw/zinc/87/18/70/375871870.db2.gz LOXIRZRWEADHRZ-CYBMUJFWSA-N 2 1 252.789 2.914 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC000119183449 376367743 /nfs/dbraw/zinc/36/77/43/376367743.db2.gz AMDYQTBKFWVEDD-HNNXBMFYSA-N 2 1 282.472 2.591 10 0 CFAEMP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130157877 377517097 /nfs/dbraw/zinc/51/70/97/377517097.db2.gz KIVWWUVGGLYXMP-INMHGKMJSA-N 2 1 256.393 2.890 10 0 CFAEMP Cc1oncc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181712874 380871661 /nfs/dbraw/zinc/87/16/61/380871661.db2.gz BJZGEDPUESKIMA-CQSZACIVSA-N 2 1 286.379 2.620 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000400331305 380857095 /nfs/dbraw/zinc/85/70/95/380857095.db2.gz DSWZOZNZABHVEU-SRVKXCTJSA-N 2 1 284.350 2.937 10 0 CFAEMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000343964793 382039034 /nfs/dbraw/zinc/03/90/34/382039034.db2.gz NPLROFCDZRWGJR-ZDTYVGOBSA-N 2 1 297.402 2.757 10 0 CFAEMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381129414 382518693 /nfs/dbraw/zinc/51/86/93/382518693.db2.gz IZWKCNYHODWWSX-LALPHHSUSA-N 2 1 250.361 2.803 10 0 CFAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C(N)=O)c1ccccc1 ZINC000328627209 382556002 /nfs/dbraw/zinc/55/60/02/382556002.db2.gz FVWMUIWDQWTPLL-XJKSGUPXSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C(N)=O)c1ccccc1 ZINC000328627209 382556004 /nfs/dbraw/zinc/55/60/04/382556004.db2.gz FVWMUIWDQWTPLL-XJKSGUPXSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H](C(N)=O)c1ccccc1 ZINC000328627207 382556523 /nfs/dbraw/zinc/55/65/23/382556523.db2.gz FVWMUIWDQWTPLL-CJNGLKHVSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H](C(N)=O)c1ccccc1 ZINC000328627207 382556527 /nfs/dbraw/zinc/55/65/27/382556527.db2.gz FVWMUIWDQWTPLL-CJNGLKHVSA-N 2 1 298.390 2.654 10 0 CFAEMP C=Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cn1 ZINC000193855536 382727066 /nfs/dbraw/zinc/72/70/66/382727066.db2.gz BVJADHNUZPBGOP-HNNXBMFYSA-N 2 1 297.406 2.621 10 0 CFAEMP C=Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000193855536 382727068 /nfs/dbraw/zinc/72/70/68/382727068.db2.gz BVJADHNUZPBGOP-HNNXBMFYSA-N 2 1 297.406 2.621 10 0 CFAEMP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)nc1 ZINC000193854868 382727132 /nfs/dbraw/zinc/72/71/32/382727132.db2.gz OTFJFODSKQDXRT-GJZGRUSLSA-N 2 1 273.380 2.508 10 0 CFAEMP C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000226448503 382828827 /nfs/dbraw/zinc/82/88/27/382828827.db2.gz ACAAJMOHRILTFK-LLVKDONJSA-N 2 1 258.818 2.975 10 0 CFAEMP C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000226448503 382828828 /nfs/dbraw/zinc/82/88/28/382828828.db2.gz ACAAJMOHRILTFK-LLVKDONJSA-N 2 1 258.818 2.975 10 0 CFAEMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1F ZINC000231458061 382864917 /nfs/dbraw/zinc/86/49/17/382864917.db2.gz NJFUEOBVXSLTCW-AWEZNQCLSA-N 2 1 250.361 2.708 10 0 CFAEMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249414484 383344486 /nfs/dbraw/zinc/34/44/86/383344486.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249414484 383344488 /nfs/dbraw/zinc/34/44/88/383344488.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249414484 383344492 /nfs/dbraw/zinc/34/44/92/383344492.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 2 1 282.472 2.734 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)[nH+]1 ZINC000248757546 383288509 /nfs/dbraw/zinc/28/85/09/383288509.db2.gz CYMHRYIZTADUAK-JKSUJKDBSA-N 2 1 287.407 2.817 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)[nH+]1 ZINC000248757546 383288512 /nfs/dbraw/zinc/28/85/12/383288512.db2.gz CYMHRYIZTADUAK-JKSUJKDBSA-N 2 1 287.407 2.817 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H](C)O3)C2)n1 ZINC000249096060 383326349 /nfs/dbraw/zinc/32/63/49/383326349.db2.gz OQZYLXNSZOCPHC-PMPSAXMXSA-N 2 1 289.423 2.691 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H](C)O3)C2)[nH+]1 ZINC000249096060 383326357 /nfs/dbraw/zinc/32/63/57/383326357.db2.gz OQZYLXNSZOCPHC-PMPSAXMXSA-N 2 1 289.423 2.691 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H](C)O3)C2)[nH+]1 ZINC000249096060 383326359 /nfs/dbraw/zinc/32/63/59/383326359.db2.gz OQZYLXNSZOCPHC-PMPSAXMXSA-N 2 1 289.423 2.691 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000250443629 383376310 /nfs/dbraw/zinc/37/63/10/383376310.db2.gz FNSZLQZLDKEIED-MAZHCROVSA-N 2 1 290.455 2.797 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000250443629 383376311 /nfs/dbraw/zinc/37/63/11/383376311.db2.gz FNSZLQZLDKEIED-MAZHCROVSA-N 2 1 290.455 2.797 10 0 CFAEMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000252714660 383430293 /nfs/dbraw/zinc/43/02/93/383430293.db2.gz SNSFWSIIXAYPGV-QGPMSJSTSA-N 2 1 287.451 2.504 10 0 CFAEMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000252714660 383430296 /nfs/dbraw/zinc/43/02/96/383430296.db2.gz SNSFWSIIXAYPGV-QGPMSJSTSA-N 2 1 287.451 2.504 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998181 383452964 /nfs/dbraw/zinc/45/29/64/383452964.db2.gz BUSMMPHWWXGIJS-ZFWWWQNUSA-N 2 1 262.397 2.502 10 0 CFAEMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261572927 383516866 /nfs/dbraw/zinc/51/68/66/383516866.db2.gz MBPQEHJUSWTSJC-CFVMTHIKSA-N 2 1 262.422 2.578 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]12 ZINC000261576739 383518424 /nfs/dbraw/zinc/51/84/24/383518424.db2.gz NXTXGCARTDJPBM-UHIISALHSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]12 ZINC000261576739 383518430 /nfs/dbraw/zinc/51/84/30/383518430.db2.gz NXTXGCARTDJPBM-UHIISALHSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261591946 383524203 /nfs/dbraw/zinc/52/42/03/383524203.db2.gz METXFIKGCJVFPJ-MHOHDPQLSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261591946 383524210 /nfs/dbraw/zinc/52/42/10/383524210.db2.gz METXFIKGCJVFPJ-MHOHDPQLSA-N 2 1 266.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624314 383531587 /nfs/dbraw/zinc/53/15/87/383531587.db2.gz VCLIHZFMZQPKPM-XLNGHYISSA-N 2 1 256.393 2.733 10 0 CFAEMP CCC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261933440 383581448 /nfs/dbraw/zinc/58/14/48/383581448.db2.gz LWOXMRAGQIXXQM-ILEACXBISA-N 2 1 294.483 2.950 10 0 CFAEMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC000261988694 383591285 /nfs/dbraw/zinc/59/12/85/383591285.db2.gz SDRGNNMRUAVHSG-OAHLLOKOSA-N 2 1 262.397 2.578 10 0 CFAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261989997 383591380 /nfs/dbraw/zinc/59/13/80/383591380.db2.gz SHLMVWGBWSSGIS-HZSPNIEDSA-N 2 1 291.464 2.743 10 0 CFAEMP CC[N@H+](Cc1scnc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000262043098 383598244 /nfs/dbraw/zinc/59/82/44/383598244.db2.gz YPQUJIKFTQEWQM-CYBMUJFWSA-N 2 1 279.453 2.985 10 0 CFAEMP CC[N@@H+](Cc1scnc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000262043098 383598251 /nfs/dbraw/zinc/59/82/51/383598251.db2.gz YPQUJIKFTQEWQM-CYBMUJFWSA-N 2 1 279.453 2.985 10 0 CFAEMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000262416867 383620924 /nfs/dbraw/zinc/62/09/24/383620924.db2.gz DRONQZZXRGMSPX-BHYGNILZSA-N 2 1 297.402 2.819 10 0 CFAEMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000262416867 383620928 /nfs/dbraw/zinc/62/09/28/383620928.db2.gz DRONQZZXRGMSPX-BHYGNILZSA-N 2 1 297.402 2.819 10 0 CFAEMP [NH3+]CCc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000031997336 393512144 /nfs/dbraw/zinc/51/21/44/393512144.db2.gz BNRDQFMKXFMRSE-UHFFFAOYSA-N 2 1 296.414 2.687 10 0 CFAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381576503 393564724 /nfs/dbraw/zinc/56/47/24/393564724.db2.gz IQVUQDPNRRFWRO-XQQFMLRXSA-N 2 1 260.372 2.871 10 0 CFAEMP Cc1cc(N[C@@H](CCC[NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000336841330 393751203 /nfs/dbraw/zinc/75/12/03/393751203.db2.gz RNGOBXFSQCBHNV-HNNXBMFYSA-N 2 1 270.380 2.986 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261572629 393948381 /nfs/dbraw/zinc/94/83/81/393948381.db2.gz AIQUTPGJROGMDF-YAMSLAJTSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261572629 393948387 /nfs/dbraw/zinc/94/83/87/393948387.db2.gz AIQUTPGJROGMDF-YAMSLAJTSA-N 2 1 266.335 2.695 10 0 CFAEMP CC[C@@H]1C[NH2+]CCN1c1ccc([NH+]2CCCCC2)cc1 ZINC000083539447 135027708 /nfs/dbraw/zinc/02/77/08/135027708.db2.gz HNZTXPPAZSYAED-OAHLLOKOSA-N 2 1 273.424 2.865 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc1 ZINC000261763134 292102270 /nfs/dbraw/zinc/10/22/70/292102270.db2.gz RICVROWEOBSFED-AEFFLSMTSA-N 2 1 281.403 2.564 10 0 CFAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC2CC2)cc1 ZINC000399611938 397562457 /nfs/dbraw/zinc/56/24/57/397562457.db2.gz CQWJZTPNFKTDJS-SJPCQFCGSA-N 2 1 256.393 2.507 10 0 CFAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC2CC2)cc1 ZINC000399611938 397562461 /nfs/dbraw/zinc/56/24/61/397562461.db2.gz CQWJZTPNFKTDJS-SJPCQFCGSA-N 2 1 256.393 2.507 10 0 CFAEMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000401785854 413171039 /nfs/dbraw/zinc/17/10/39/413171039.db2.gz ZQEOMCPQBMCPLS-YYJSSNLHSA-N 2 1 264.335 2.695 10 0 CFAEMP CC(C)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334936 413251754 /nfs/dbraw/zinc/25/17/54/413251754.db2.gz VSJHXEGMCCQCJF-WMZOPIPTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334936 413251759 /nfs/dbraw/zinc/25/17/59/413251759.db2.gz VSJHXEGMCCQCJF-WMZOPIPTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334936 413251763 /nfs/dbraw/zinc/25/17/63/413251763.db2.gz VSJHXEGMCCQCJF-WMZOPIPTSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334936 413251767 /nfs/dbraw/zinc/25/17/67/413251767.db2.gz VSJHXEGMCCQCJF-WMZOPIPTSA-N 2 1 290.451 2.600 10 0 CFAEMP [NH3+]Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000020072136 170982203 /nfs/dbraw/zinc/98/22/03/170982203.db2.gz KMGLOTOWSSJBER-UHFFFAOYSA-N 2 1 258.390 2.765 10 0 CFAEMP C[N@H+]1CCN(c2ccccc2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000020075839 170984369 /nfs/dbraw/zinc/98/43/69/170984369.db2.gz WWTDIVUKTYUATR-GOSISDBHSA-N 2 1 281.403 2.638 10 0 CFAEMP [NH3+]C[C@H](C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000022177166 171371079 /nfs/dbraw/zinc/37/10/79/171371079.db2.gz ROHQPHBGGGNHGM-QGZVFWFLSA-N 2 1 258.409 2.952 10 0 CFAEMP [NH3+]C[C@H](C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000022177166 171371080 /nfs/dbraw/zinc/37/10/80/171371080.db2.gz ROHQPHBGGGNHGM-QGZVFWFLSA-N 2 1 258.409 2.952 10 0 CFAEMP C[N@H+](Cc1cccs1)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731491 172381533 /nfs/dbraw/zinc/38/15/33/172381533.db2.gz QGGFWPYNELESHM-CQSZACIVSA-N 2 1 260.406 2.922 10 0 CFAEMP C[N@H+](Cc1cccs1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731492 172381812 /nfs/dbraw/zinc/38/18/12/172381812.db2.gz QGGFWPYNELESHM-AWEZNQCLSA-N 2 1 260.406 2.922 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221151 173040437 /nfs/dbraw/zinc/04/04/37/173040437.db2.gz CFTDONRFUZADAJ-OLZOCXBDSA-N 2 1 252.427 2.958 10 0 CFAEMP CCCCOCC[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000040506914 174302098 /nfs/dbraw/zinc/30/20/98/174302098.db2.gz KRFWCROGJABPSW-UHFFFAOYSA-N 2 1 268.445 2.823 10 0 CFAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593395 174347666 /nfs/dbraw/zinc/34/76/66/174347666.db2.gz RVZOWRGSBZGWTD-AWEZNQCLSA-N 2 1 271.408 2.908 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040667123 174366423 /nfs/dbraw/zinc/36/64/23/174366423.db2.gz SRJRRDIDJIEQLG-HIFRSBDPSA-N 2 1 290.407 2.625 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040667123 174366424 /nfs/dbraw/zinc/36/64/24/174366424.db2.gz SRJRRDIDJIEQLG-HIFRSBDPSA-N 2 1 290.407 2.625 10 0 CFAEMP CC[N@@H+](Cc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747413 174392813 /nfs/dbraw/zinc/39/28/13/174392813.db2.gz SWVNBHVDSSFYKF-SJPCQFCGSA-N 2 1 286.419 2.726 10 0 CFAEMP CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748138 174393089 /nfs/dbraw/zinc/39/30/89/174393089.db2.gz ZSNZKTKTXKCITC-SJPCQFCGSA-N 2 1 288.435 2.843 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000040750199 174395392 /nfs/dbraw/zinc/39/53/92/174395392.db2.gz VWIOJHWVAAFPQW-GOOCMWNKSA-N 2 1 283.375 2.796 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000040750199 174395394 /nfs/dbraw/zinc/39/53/94/174395394.db2.gz VWIOJHWVAAFPQW-GOOCMWNKSA-N 2 1 283.375 2.796 10 0 CFAEMP CCCCOCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769339 174399442 /nfs/dbraw/zinc/39/94/42/174399442.db2.gz DAYNQFDQZXXUQS-SJPCQFCGSA-N 2 1 282.472 2.902 10 0 CFAEMP CCCCOCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040769339 174399444 /nfs/dbraw/zinc/39/94/44/174399444.db2.gz DAYNQFDQZXXUQS-SJPCQFCGSA-N 2 1 282.472 2.902 10 0 CFAEMP Cc1ccc([C@@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000042391954 174706654 /nfs/dbraw/zinc/70/66/54/174706654.db2.gz YNACTUOTKHZEDP-GOSISDBHSA-N 2 1 289.467 2.577 10 0 CFAEMP CC(C)C[N@@H+](CCCc1ccccc1)CCC(N)=[NH2+] ZINC000043422996 175039305 /nfs/dbraw/zinc/03/93/05/175039305.db2.gz WMFNSLQPFZGNST-UHFFFAOYSA-N 2 1 261.413 2.903 10 0 CFAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591878 175073755 /nfs/dbraw/zinc/07/37/55/175073755.db2.gz PVZFYSCXOQYMTK-ZDUSSCGKSA-N 2 1 252.427 2.960 10 0 CFAEMP C(C[C@@H]1CCC[NH2+]C1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000043591964 175074335 /nfs/dbraw/zinc/07/43/35/175074335.db2.gz KBBLFAIXBYANES-KRWDZBQOSA-N 2 1 293.499 2.717 10 0 CFAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000043818401 175112747 /nfs/dbraw/zinc/11/27/47/175112747.db2.gz BKVVARVTBTXTFQ-SFHVURJKSA-N 2 1 289.467 2.592 10 0 CFAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1C ZINC000043818399 175112837 /nfs/dbraw/zinc/11/28/37/175112837.db2.gz XDMKZEGDLGSJAJ-GOSISDBHSA-N 2 1 289.467 2.592 10 0 CFAEMP CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000043818263 175112963 /nfs/dbraw/zinc/11/29/63/175112963.db2.gz NCKUOYTWEXJKFW-MAUKXSAKSA-N 2 1 289.467 2.536 10 0 CFAEMP CC[N@@H+](Cc1cc([C@@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821576 175114368 /nfs/dbraw/zinc/11/43/68/175114368.db2.gz RVOMFDSKKNZSGW-GFCCVEGCSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](C)CCc1ccncc1 ZINC000043901938 175122084 /nfs/dbraw/zinc/12/20/84/175122084.db2.gz PEPJUSGTBSHTHU-JKSUJKDBSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000043901938 175122085 /nfs/dbraw/zinc/12/20/85/175122085.db2.gz PEPJUSGTBSHTHU-JKSUJKDBSA-N 2 1 263.429 2.723 10 0 CFAEMP CCOC1CC[NH+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906942 175122663 /nfs/dbraw/zinc/12/26/63/175122663.db2.gz UYCFKOFNWJLTLE-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907619 175123471 /nfs/dbraw/zinc/12/34/71/175123471.db2.gz LUPHVJCLSFPZQA-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981298 175134333 /nfs/dbraw/zinc/13/43/33/175134333.db2.gz GCWRBMCBPNWNHX-BARDWOONSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981298 175134335 /nfs/dbraw/zinc/13/43/35/175134335.db2.gz GCWRBMCBPNWNHX-BARDWOONSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1cc(C)ccc1OC ZINC000043993760 175136240 /nfs/dbraw/zinc/13/62/40/175136240.db2.gz GQQUTGJGAWBOBA-OAHLLOKOSA-N 2 1 273.380 2.859 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1cc(OC)ccc1OC ZINC000043994253 175136645 /nfs/dbraw/zinc/13/66/45/175136645.db2.gz ZKIKRTJKJMWQIB-OAHLLOKOSA-N 2 1 289.379 2.560 10 0 CFAEMP CCc1[nH+]ccn1Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000044036643 175139668 /nfs/dbraw/zinc/13/96/68/175139668.db2.gz ASKHKGHFIYXMDV-LBPRGKRZSA-N 2 1 273.380 2.783 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000044036562 175140017 /nfs/dbraw/zinc/14/00/17/175140017.db2.gz RMYFCJSRIKARPV-RDJZCZTQSA-N 2 1 285.391 2.902 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000044528084 175192516 /nfs/dbraw/zinc/19/25/16/175192516.db2.gz DIVCPDQHYCTOMJ-RISCZKNCSA-N 2 1 250.411 2.870 10 0 CFAEMP CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044536503 175199114 /nfs/dbraw/zinc/19/91/14/175199114.db2.gz QSNQYEUHNKJOPL-MAUKXSAKSA-N 2 1 290.451 2.775 10 0 CFAEMP Cc1ncc(C[NH2+]CCCC[N@H+](C)C(C)C)s1 ZINC000044573076 175210176 /nfs/dbraw/zinc/21/01/76/175210176.db2.gz AVHIEFUJEPMTQP-UHFFFAOYSA-N 2 1 255.431 2.662 10 0 CFAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660203 175226202 /nfs/dbraw/zinc/22/62/02/175226202.db2.gz TXNXWEURABEIBW-MUIFIZLQSA-N 2 1 258.409 2.862 10 0 CFAEMP CCOC[C@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000044691945 175233858 /nfs/dbraw/zinc/23/38/58/175233858.db2.gz WFRXRGLBUVEBIM-LSVZVQIISA-N 2 1 268.445 2.510 10 0 CFAEMP CCOC[C@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000044691945 175233859 /nfs/dbraw/zinc/23/38/59/175233859.db2.gz WFRXRGLBUVEBIM-LSVZVQIISA-N 2 1 268.445 2.510 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045168756 175319912 /nfs/dbraw/zinc/31/99/12/175319912.db2.gz OMBDUHGBCMSGNX-LBPRGKRZSA-N 2 1 278.444 2.562 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045168741 175319995 /nfs/dbraw/zinc/31/99/95/175319995.db2.gz NAAMGHYABMOBPG-GFCCVEGCSA-N 2 1 278.444 2.560 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[NH+]1CCCCCCC1 ZINC000045371396 175364088 /nfs/dbraw/zinc/36/40/88/175364088.db2.gz SOJACPMYEQSBAT-MRXNPFEDSA-N 2 1 284.444 2.703 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372333 175365073 /nfs/dbraw/zinc/36/50/73/175365073.db2.gz ZHBRIOFVXHLULM-QGZVFWFLSA-N 2 1 297.487 2.665 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)C1CCCCC1 ZINC000045379063 175368267 /nfs/dbraw/zinc/36/82/67/175368267.db2.gz GXIVMVRLRRSILG-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383232 175371313 /nfs/dbraw/zinc/37/13/13/175371313.db2.gz JLZVXWQMEJKTBX-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383232 175371315 /nfs/dbraw/zinc/37/13/15/175371315.db2.gz JLZVXWQMEJKTBX-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384890 175372432 /nfs/dbraw/zinc/37/24/32/175372432.db2.gz LPVUHKWKDSWYDA-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384890 175372434 /nfs/dbraw/zinc/37/24/34/175372434.db2.gz LPVUHKWKDSWYDA-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)CCC)C(=O)OCC ZINC000045387110 175373185 /nfs/dbraw/zinc/37/31/85/175373185.db2.gz CHJQMFJIKCDCDQ-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)CCC)C(=O)OCC ZINC000045387110 175373186 /nfs/dbraw/zinc/37/31/86/175373186.db2.gz CHJQMFJIKCDCDQ-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045388012 175374276 /nfs/dbraw/zinc/37/42/76/175374276.db2.gz MSPWSACHXLMKFT-MRXNPFEDSA-N 2 1 285.476 2.522 10 0 CFAEMP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CCCC1 ZINC000045390652 175374423 /nfs/dbraw/zinc/37/44/23/175374423.db2.gz SIYDMROAFIEZKV-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CCCC1 ZINC000045390652 175374424 /nfs/dbraw/zinc/37/44/24/175374424.db2.gz SIYDMROAFIEZKV-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C1CCCC1)[NH2+]C ZINC000045390479 175374713 /nfs/dbraw/zinc/37/47/13/175374713.db2.gz OVYAZAKOIIAQCD-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C1CCCC1)[NH2+]C ZINC000045390479 175374714 /nfs/dbraw/zinc/37/47/14/175374714.db2.gz OVYAZAKOIIAQCD-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP C[NH2+][C@](C)(CCC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045420416 175378546 /nfs/dbraw/zinc/37/85/46/175378546.db2.gz LDCHZGIZRCVCGG-MRXNPFEDSA-N 2 1 286.460 2.532 10 0 CFAEMP CC1(C)CC[N@@H+](Cc2ccccc2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000076697693 177060762 /nfs/dbraw/zinc/06/07/62/177060762.db2.gz WEOUOCZEZPJAKT-HOTGVXAUSA-N 2 1 258.409 2.897 10 0 CFAEMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000261975705 275896313 /nfs/dbraw/zinc/89/63/13/275896313.db2.gz RAOPJALFSGGHHC-BZUAXINKSA-N 2 1 280.456 2.704 10 0 CFAEMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262001577 276219487 /nfs/dbraw/zinc/21/94/87/276219487.db2.gz UPZVNRGGLDIBSY-ARFHVFGLSA-N 2 1 280.456 2.704 10 0 CFAEMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311154 281291136 /nfs/dbraw/zinc/29/11/36/281291136.db2.gz DUHMTXYTFCHRNE-IRXDYDNUSA-N 2 1 282.472 2.735 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261572631 290215189 /nfs/dbraw/zinc/21/51/89/290215189.db2.gz AIQUTPGJROGMDF-ZHPDPMBESA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261572631 290215190 /nfs/dbraw/zinc/21/51/90/290215190.db2.gz AIQUTPGJROGMDF-ZHPDPMBESA-N 2 1 266.335 2.695 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000052419089 519744567 /nfs/dbraw/zinc/74/45/67/519744567.db2.gz SWEIXJXBMDYZMS-OAHLLOKOSA-N 2 1 260.425 2.926 10 0 CFAEMP CC(C)C[NH2+]Cc1nc2c(s1)[C@@H]1CC[C@H](C2)[N@@H+]1C ZINC000061800735 519748722 /nfs/dbraw/zinc/74/87/22/519748722.db2.gz JTLUVLIZWOMWIY-PWSUYJOCSA-N 2 1 265.426 2.580 10 0 CFAEMP CC(C)C[NH2+]Cc1nc2c(s1)[C@@H]1CC[C@H](C2)[N@H+]1C ZINC000061800735 519748724 /nfs/dbraw/zinc/74/87/24/519748724.db2.gz JTLUVLIZWOMWIY-PWSUYJOCSA-N 2 1 265.426 2.580 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H](C)CC)CCOCC1 ZINC000052181178 519910132 /nfs/dbraw/zinc/91/01/32/519910132.db2.gz JGXJSEDMMZSDHD-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]CCCC[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000052545268 519912400 /nfs/dbraw/zinc/91/24/00/519912400.db2.gz YNIGLJQKOILNKK-CQSZACIVSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197812 519912509 /nfs/dbraw/zinc/91/25/09/519912509.db2.gz SSLDLDXLXRXLCB-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)CC(C)C)O1 ZINC000052449899 519935611 /nfs/dbraw/zinc/93/56/11/519935611.db2.gz HLZXKNBODYIDHG-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCCC[N@@H+](CC)Cc1cc(C[NH2+]CCC)no1 ZINC000052418756 520478121 /nfs/dbraw/zinc/47/81/21/520478121.db2.gz PMQXWQHYGIADHR-UHFFFAOYSA-N 2 1 253.390 2.796 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C(C)(C)CC ZINC000069443413 521153295 /nfs/dbraw/zinc/15/32/95/521153295.db2.gz UTULPNJARIHZIB-HNNXBMFYSA-N 2 1 272.433 2.558 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000052546476 522153000 /nfs/dbraw/zinc/15/30/00/522153000.db2.gz AJWYWNFHXNWSLE-AAEUAGOBSA-N 2 1 267.442 2.873 10 0 CFAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000422728614 533812537 /nfs/dbraw/zinc/81/25/37/533812537.db2.gz JMPNLUUCTZKJOL-KYTZWMPUSA-N 2 1 266.335 2.898 10 0 CFAEMP CC(C)(C)C1CC[NH+](Cc2ccoc2C[NH3+])CC1 ZINC000052373616 518607282 /nfs/dbraw/zinc/60/72/82/518607282.db2.gz HEJKAKLVVVTLDM-UHFFFAOYSA-N 2 1 250.386 2.996 10 0 CFAEMP CC(C)[NH2+]C[C@H](OCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000052672821 519724798 /nfs/dbraw/zinc/72/47/98/519724798.db2.gz LPVWBHGSRYAFSY-CABCVRRESA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416599 519725643 /nfs/dbraw/zinc/72/56/43/519725643.db2.gz WQZJDDMFHOTRLO-HUUCEWRRSA-N 2 1 294.464 2.652 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000052381054 519729262 /nfs/dbraw/zinc/72/92/62/519729262.db2.gz IDBIYBLRVBKRMB-LBPRGKRZSA-N 2 1 267.442 2.873 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000052381054 519729264 /nfs/dbraw/zinc/72/92/64/519729264.db2.gz IDBIYBLRVBKRMB-LBPRGKRZSA-N 2 1 267.442 2.873 10 0 CFAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052424020 519744243 /nfs/dbraw/zinc/74/42/43/519744243.db2.gz AUJRVZCNLDQMMY-HNNXBMFYSA-N 2 1 263.429 2.580 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+]1CCCSCC1 ZINC000052370965 519745612 /nfs/dbraw/zinc/74/56/12/519745612.db2.gz ZDFIZVHKADAACN-CQSZACIVSA-N 2 1 258.475 2.696 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+]1CCCSCC1 ZINC000052370965 519745611 /nfs/dbraw/zinc/74/56/11/519745611.db2.gz ZDFIZVHKADAACN-CQSZACIVSA-N 2 1 258.475 2.696 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000052419090 519745654 /nfs/dbraw/zinc/74/56/54/519745654.db2.gz SWEIXJXBMDYZMS-HNNXBMFYSA-N 2 1 260.425 2.926 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(CN2CCC[N@@H+](C)CC2)c1 ZINC000052424165 519747445 /nfs/dbraw/zinc/74/74/45/519747445.db2.gz PLXLVRIXWDDGBV-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@@H+]2CCCN(C)CC2)c1 ZINC000052424165 519747446 /nfs/dbraw/zinc/74/74/46/519747446.db2.gz PLXLVRIXWDDGBV-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@H+]2CCCN(C)CC2)c1 ZINC000052424165 519747448 /nfs/dbraw/zinc/74/74/48/519747448.db2.gz PLXLVRIXWDDGBV-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[C@@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197677 519772651 /nfs/dbraw/zinc/77/26/51/519772651.db2.gz WDSHZUOAYCYPMP-OAHLLOKOSA-N 2 1 282.472 2.902 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181737 519909998 /nfs/dbraw/zinc/90/99/98/519909998.db2.gz YZEOVXKIVNPTQY-HNNXBMFYSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182066 519910934 /nfs/dbraw/zinc/91/09/34/519910934.db2.gz FKYYBVOETUKJRK-HOTGVXAUSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197663 519912807 /nfs/dbraw/zinc/91/28/07/519912807.db2.gz ZIMZSKJPUDOISM-OAHLLOKOSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507526 519913216 /nfs/dbraw/zinc/91/32/16/519913216.db2.gz YPKUDLABHJBTDT-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418954 519927969 /nfs/dbraw/zinc/92/79/69/519927969.db2.gz WCXZSNQHCMHIPW-MRXNPFEDSA-N 2 1 275.440 2.505 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@@H+](C)[C@H](C)COC)c1 ZINC000052511409 519954915 /nfs/dbraw/zinc/95/49/15/519954915.db2.gz MSUHZDNMPBAFAO-CQSZACIVSA-N 2 1 264.413 2.653 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCCSCC1 ZINC000052371029 519959442 /nfs/dbraw/zinc/95/94/42/519959442.db2.gz MQUHROJEJBXXIC-UHFFFAOYSA-N 2 1 268.426 2.718 10 0 CFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453644 520006467 /nfs/dbraw/zinc/00/64/67/520006467.db2.gz JIAFABPNPMJMNE-OAHLLOKOSA-N 2 1 264.438 2.733 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000052381357 520009370 /nfs/dbraw/zinc/00/93/70/520009370.db2.gz RCRBFWTVDVPXDL-HNNXBMFYSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](CC)CCOC ZINC000054555475 520122633 /nfs/dbraw/zinc/12/26/33/520122633.db2.gz HYFDNLQSRZRQKE-XHSDSOJGSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](CC)CCOC ZINC000054555475 520122642 /nfs/dbraw/zinc/12/26/42/520122642.db2.gz HYFDNLQSRZRQKE-XHSDSOJGSA-N 2 1 270.461 2.758 10 0 CFAEMP CC1(C)C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052481832 520471323 /nfs/dbraw/zinc/47/13/23/520471323.db2.gz PFWVRBGOKNMOCA-UHFFFAOYSA-N 2 1 290.432 2.971 10 0 CFAEMP CCC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)CCCOC ZINC000062035277 520908431 /nfs/dbraw/zinc/90/84/31/520908431.db2.gz FQCNKWAQAPVJMT-HNNXBMFYSA-N 2 1 258.450 2.759 10 0 CFAEMP CC1CCC([N@H+](C)Cc2cc(C[NH2+]C3CC3)no2)CC1 ZINC000052345393 520937431 /nfs/dbraw/zinc/93/74/31/520937431.db2.gz HKDSORMPQNRUAT-UHFFFAOYSA-N 2 1 277.412 2.937 10 0 CFAEMP CC1CCC([N@@H+](C)Cc2cc(C[NH2+]C3CC3)no2)CC1 ZINC000052345393 520937438 /nfs/dbraw/zinc/93/74/38/520937438.db2.gz HKDSORMPQNRUAT-UHFFFAOYSA-N 2 1 277.412 2.937 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239990 520957168 /nfs/dbraw/zinc/95/71/68/520957168.db2.gz KWWPFRWLWPAESL-QGZVFWFLSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@@](C)(C[NH2+]C)c1ccccc1 ZINC000069239876 520957788 /nfs/dbraw/zinc/95/77/88/520957788.db2.gz YWSCKIAKUYAFIC-QGZVFWFLSA-N 2 1 260.425 2.896 10 0 CFAEMP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052510511 521229067 /nfs/dbraw/zinc/22/90/67/521229067.db2.gz JECGMYKFQPSLJG-HOTGVXAUSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052510511 521229074 /nfs/dbraw/zinc/22/90/74/521229074.db2.gz JECGMYKFQPSLJG-HOTGVXAUSA-N 2 1 270.461 2.758 10 0 CFAEMP CCCC[C@](CC)(C[NH3+])[N@H+]1CCC[C@H](OCC)C1 ZINC000069380391 521252829 /nfs/dbraw/zinc/25/28/29/521252829.db2.gz WVXNTRNZFSXJHR-LSDHHAIUSA-N 2 1 256.434 2.785 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2N)CC1 ZINC000050443210 521563453 /nfs/dbraw/zinc/56/34/53/521563453.db2.gz SCKAGDWNYGFWMQ-UHFFFAOYSA-N 2 1 281.831 2.838 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2N)CC1 ZINC000050443210 521563459 /nfs/dbraw/zinc/56/34/59/521563459.db2.gz SCKAGDWNYGFWMQ-UHFFFAOYSA-N 2 1 281.831 2.838 10 0 CFAEMP CCN1CC[NH+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052422294 521688910 /nfs/dbraw/zinc/68/89/10/521688910.db2.gz NQZRNDZGYMUPFW-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182011 521968882 /nfs/dbraw/zinc/96/88/82/521968882.db2.gz YGVZVJHNCRRQJQ-CVEARBPZSA-N 2 1 280.456 2.657 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](Cc2ccccc2)C(C)C)CCOCC1 ZINC000052180947 521969835 /nfs/dbraw/zinc/96/98/35/521969835.db2.gz YOBMUZZRDKZIJB-UHFFFAOYSA-N 2 1 290.451 2.913 10 0 CFAEMP CC[C@@H](C)[N@@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181384 522083081 /nfs/dbraw/zinc/08/30/81/522083081.db2.gz BCDGJZVWMATTNH-OAHLLOKOSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[C@@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052451149 522086890 /nfs/dbraw/zinc/08/68/90/522086890.db2.gz HFHRKDKTQFHOHT-GFCCVEGCSA-N 2 1 253.390 2.793 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000052378824 522121937 /nfs/dbraw/zinc/12/19/37/522121937.db2.gz XHWJONCFJKFJHT-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[C@H](CC[NH3+])[NH+]1CCN(Cc2cc(C)ccc2C)CC1 ZINC000049256679 522127514 /nfs/dbraw/zinc/12/75/14/522127514.db2.gz DRZJZCYXAFQYIG-GOSISDBHSA-N 2 1 289.467 2.548 10 0 CFAEMP C[NH2+]Cc1nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000052372985 522152312 /nfs/dbraw/zinc/15/23/12/522152312.db2.gz VETCSQJTLUTING-CQSZACIVSA-N 2 1 287.432 2.852 10 0 CFAEMP CC[C@@H](C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538769 522306501 /nfs/dbraw/zinc/30/65/01/522306501.db2.gz WIOJEKBHOWOJOR-PTRXPTGYSA-N 2 1 255.431 2.784 10 0 CFAEMP C[NH2+][C@@H](C)c1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049329491 522338055 /nfs/dbraw/zinc/33/80/55/522338055.db2.gz UIIJKEJWUBXSRQ-LBPRGKRZSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757602 522343317 /nfs/dbraw/zinc/34/33/17/522343317.db2.gz BFGUCUABWFWGMF-VNHYZAJKSA-N 2 1 282.453 2.763 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757602 522343322 /nfs/dbraw/zinc/34/33/22/522343322.db2.gz BFGUCUABWFWGMF-VNHYZAJKSA-N 2 1 282.453 2.763 10 0 CFAEMP C[N@@H+](CC(C)(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197545 522547684 /nfs/dbraw/zinc/54/76/84/522547684.db2.gz UNJFCRNDSDWHGP-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP C[N@@H+](CCSc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668560 522926141 /nfs/dbraw/zinc/92/61/41/522926141.db2.gz RDYHRIXFNJZBLN-CQSZACIVSA-N 2 1 264.438 2.853 10 0 CFAEMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016558 523033902 /nfs/dbraw/zinc/03/39/02/523033902.db2.gz HGKSCLSKROOFGJ-HOTGVXAUSA-N 2 1 262.397 2.577 10 0 CFAEMP CC[C@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052479690 523091336 /nfs/dbraw/zinc/09/13/36/523091336.db2.gz QXSQNWZMASPSCL-ZDUSSCGKSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[C@H]1CCC[N@H+]1CCOc1cccc(C[NH2+]C)c1 ZINC000052375120 523107504 /nfs/dbraw/zinc/10/75/04/523107504.db2.gz RBZXIWRVHBWITC-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231464765 523176709 /nfs/dbraw/zinc/17/67/09/523176709.db2.gz VJJNCEBVPDPPHR-LLVKDONJSA-N 2 1 272.314 2.678 10 0 CFAEMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231464765 523176719 /nfs/dbraw/zinc/17/67/19/523176719.db2.gz VJJNCEBVPDPPHR-LLVKDONJSA-N 2 1 272.314 2.678 10 0 CFAEMP CC[C@H]1C[N@H+](Cc2cccc(C[NH2+]C(C)C)c2)CCO1 ZINC000052476992 523293089 /nfs/dbraw/zinc/29/30/89/523293089.db2.gz PEWZHFPDKIAXRA-KRWDZBQOSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C)C)c2)CCO1 ZINC000052476992 523293098 /nfs/dbraw/zinc/29/30/98/523293098.db2.gz PEWZHFPDKIAXRA-KRWDZBQOSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[C@H](C)[N@@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181389 523933822 /nfs/dbraw/zinc/93/38/22/523933822.db2.gz YGOBMUMDNJDKKG-AWEZNQCLSA-N 2 1 268.445 2.656 10 0 CFAEMP C[C@H]1CC[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182197 524288025 /nfs/dbraw/zinc/28/80/25/524288025.db2.gz VSILNEAGAMXRTG-AWEZNQCLSA-N 2 1 268.445 2.513 10 0 CFAEMP Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n1 ZINC000049554291 524331166 /nfs/dbraw/zinc/33/11/66/524331166.db2.gz IEJHUIULAXJYMA-TZMCWYRMSA-N 2 1 263.429 2.998 10 0 CFAEMP Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n1 ZINC000049554289 524331372 /nfs/dbraw/zinc/33/13/72/524331372.db2.gz IEJHUIULAXJYMA-GXTWGEPZSA-N 2 1 263.429 2.998 10 0 CFAEMP Cc1ccc(C[N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)o1 ZINC000050952630 524392150 /nfs/dbraw/zinc/39/21/50/524392150.db2.gz JHLIAGRZPANCEB-AWEZNQCLSA-N 2 1 250.386 2.942 10 0 CFAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000052419145 524459642 /nfs/dbraw/zinc/45/96/42/524459642.db2.gz MMOFMBRHQHHECV-AWEZNQCLSA-N 2 1 258.409 2.965 10 0 CFAEMP C[C@H](C[NH2+]C1CC1)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346141 524479469 /nfs/dbraw/zinc/47/94/69/524479469.db2.gz PHTBHVVVTHPODO-GFCCVEGCSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382744 524634733 /nfs/dbraw/zinc/63/47/33/524634733.db2.gz SRACTRKROOWFGR-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382744 524634746 /nfs/dbraw/zinc/63/47/46/524634746.db2.gz SRACTRKROOWFGR-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP Cc1cc(C[N@H+](C)Cc2ccc(C)cc2)oc1C[NH3+] ZINC000052424664 524663123 /nfs/dbraw/zinc/66/31/23/524663123.db2.gz YECUYUMQJUBGRG-UHFFFAOYSA-N 2 1 258.365 2.987 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380896 525015644 /nfs/dbraw/zinc/01/56/44/525015644.db2.gz GOKPAMCOSGRJID-OKILXGFUSA-N 2 1 274.408 2.548 10 0 CFAEMP Cc1nc(C)c([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000054629418 526750473 /nfs/dbraw/zinc/75/04/73/526750473.db2.gz GUVNCYCHVDJZIH-SMHCIBLRSA-N 2 1 265.426 2.775 10 0 CFAEMP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+](C)CC1CC1 ZINC000052483703 526774234 /nfs/dbraw/zinc/77/42/34/526774234.db2.gz AQAFQEWGADNJEL-UHFFFAOYSA-N 2 1 250.386 2.928 10 0 CFAEMP [NH3+]CCC[N@@H+](CCCOCC(F)(F)F)C1CCCCC1 ZINC000049312081 527178548 /nfs/dbraw/zinc/17/85/48/527178548.db2.gz JEVAYPUMMFQVRC-UHFFFAOYSA-N 2 1 296.377 2.939 10 0 CFAEMP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]cc1Br ZINC000159911882 527209677 /nfs/dbraw/zinc/20/96/77/527209677.db2.gz JZGAOBLKYKNRPH-ONGXEEELSA-N 2 1 284.201 2.774 10 0 CFAEMP [NH3+]C[C@H]1CCCC[C@@H]1Nc1cc[nH+]cc1Br ZINC000159911630 527231945 /nfs/dbraw/zinc/23/19/45/527231945.db2.gz JZGAOBLKYKNRPH-KOLCDFICSA-N 2 1 284.201 2.774 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]12 ZINC000261560298 619171100 /nfs/dbraw/zinc/17/11/00/619171100.db2.gz FFWOHQWIVPFNMH-LJWDBELGSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]12 ZINC000261560298 619171106 /nfs/dbraw/zinc/17/11/06/619171106.db2.gz FFWOHQWIVPFNMH-LJWDBELGSA-N 2 1 268.763 2.648 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[N@H+](CC)[C@@H]1c1ccccc1OC ZINC000199464211 650799338 /nfs/dbraw/zinc/79/93/38/650799338.db2.gz VWHUFFHFYOSQOR-BBRMVZONSA-N 2 1 262.397 2.688 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccccc1OC ZINC000199464211 650799340 /nfs/dbraw/zinc/79/93/40/650799340.db2.gz VWHUFFHFYOSQOR-BBRMVZONSA-N 2 1 262.397 2.688 10 0 CFAEMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127759158 187330891 /nfs/dbraw/zinc/33/08/91/187330891.db2.gz TYHVGNFLVJRTEK-KURKYZTESA-N 2 1 287.451 2.506 10 0 CFAEMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000226226519 539446592 /nfs/dbraw/zinc/44/65/92/539446592.db2.gz BHTJLPDSXZFBLP-HZPDHXFCSA-N 2 1 268.445 2.534 10 0 CFAEMP CC[C@@](C)([NH3+])C[NH2+]Cc1cc(Br)cs1 ZINC000086810539 179340339 /nfs/dbraw/zinc/34/03/39/179340339.db2.gz ACTZQHNDYFJSGJ-SNVBAGLBSA-N 2 1 277.231 2.728 10 0 CFAEMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817360 179345008 /nfs/dbraw/zinc/34/50/08/179345008.db2.gz WQEDXFIHSPHZHO-ZIAGYGMSSA-N 2 1 250.386 2.675 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000086817364 179345031 /nfs/dbraw/zinc/34/50/31/179345031.db2.gz WTWYXYUHDFXHRW-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818502 179347053 /nfs/dbraw/zinc/34/70/53/179347053.db2.gz KZFLBZPDAGMQKD-ZBFHGGJFSA-N 2 1 276.424 2.787 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCCC2)CC1 ZINC000086847300 179356089 /nfs/dbraw/zinc/35/60/89/179356089.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCCCC2)CC1 ZINC000086847300 179356091 /nfs/dbraw/zinc/35/60/91/179356091.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)C2CCCCCC2)CC1 ZINC000086847300 179356093 /nfs/dbraw/zinc/35/60/93/179356093.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086847300 179356094 /nfs/dbraw/zinc/35/60/94/179356094.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086847300 179356095 /nfs/dbraw/zinc/35/60/95/179356095.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CCCCCN(C)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846896 179357375 /nfs/dbraw/zinc/35/73/75/179357375.db2.gz UOYMBGWDVFYFQR-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848920 179357597 /nfs/dbraw/zinc/35/75/97/179357597.db2.gz VQVXICHZWWCNGF-SFHVURJKSA-N 2 1 293.499 2.700 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848920 179357599 /nfs/dbraw/zinc/35/75/99/179357599.db2.gz VQVXICHZWWCNGF-SFHVURJKSA-N 2 1 293.499 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848920 179357601 /nfs/dbraw/zinc/35/76/01/179357601.db2.gz VQVXICHZWWCNGF-SFHVURJKSA-N 2 1 293.499 2.700 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2F)CC1 ZINC000086835276 179350476 /nfs/dbraw/zinc/35/04/76/179350476.db2.gz ZVKYQCUETYMYJM-OAHLLOKOSA-N 2 1 264.388 2.832 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000086840736 179353949 /nfs/dbraw/zinc/35/39/49/179353949.db2.gz XYJANFCYVQXRPE-HOTGVXAUSA-N 2 1 258.409 2.790 10 0 CFAEMP CCC[N@H+]1CCC[C@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086868218 179360881 /nfs/dbraw/zinc/36/08/81/179360881.db2.gz RKDBSHABZPILHC-KRWDZBQOSA-N 2 1 282.472 2.926 10 0 CFAEMP CC(C)[C@H]1C[C@@](C[NH3+])([NH2+]C2CCCCCC2)CCO1 ZINC000087903585 179516490 /nfs/dbraw/zinc/51/64/90/179516490.db2.gz GWBURINAUYYRIZ-CVEARBPZSA-N 2 1 268.445 2.831 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573523 539673100 /nfs/dbraw/zinc/67/31/00/539673100.db2.gz ASRAULRCPRCDBD-YESZJQIVSA-N 2 1 256.393 2.733 10 0 CFAEMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862280 186079887 /nfs/dbraw/zinc/07/98/87/186079887.db2.gz SWIJAVJTFWTFIN-MRXNPFEDSA-N 2 1 290.451 2.520 10 0 CFAEMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837201 355600535 /nfs/dbraw/zinc/60/05/35/355600535.db2.gz ONMUUIGKTNQTDH-MDZLAQPJSA-N 2 1 252.789 2.928 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840522 355602518 /nfs/dbraw/zinc/60/25/18/355602518.db2.gz SYTUZBMIRYQPOU-CORIIIEPSA-N 2 1 250.361 2.803 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842348 355603555 /nfs/dbraw/zinc/60/35/55/355603555.db2.gz ZCCNNTRUXVKFJE-DYVFJYSZSA-N 2 1 254.377 2.866 10 0 CFAEMP C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631842539 355603913 /nfs/dbraw/zinc/60/39/13/355603913.db2.gz BSELPXDQRCYMII-JQWIXIFHSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631842539 355603916 /nfs/dbraw/zinc/60/39/16/355603916.db2.gz BSELPXDQRCYMII-JQWIXIFHSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335642763 291193473 /nfs/dbraw/zinc/19/34/73/291193473.db2.gz IJBWPIKRHGVARL-HBIQZDMRSA-N 2 1 264.335 2.838 10 0 CFAEMP [NH3+]C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000035681051 372550091 /nfs/dbraw/zinc/55/00/91/372550091.db2.gz RJRVNRNSVNTNSZ-UHFFFAOYSA-N 2 1 261.756 2.816 10 0 CFAEMP [NH3+][C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000041030146 372804726 /nfs/dbraw/zinc/80/47/26/372804726.db2.gz ZVGNGLUIAPOPDP-LLVKDONJSA-N 2 1 261.756 2.816 10 0 CFAEMP [NH3+]C[C@@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000053663293 373484463 /nfs/dbraw/zinc/48/44/63/373484463.db2.gz BYPACBNOXPDNJL-NSHDSACASA-N 2 1 261.756 2.816 10 0 CFAEMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[NH+](C)C1 ZINC000067847229 374008320 /nfs/dbraw/zinc/00/83/20/374008320.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 2 1 298.434 2.646 10 0 CFAEMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000067847229 374008326 /nfs/dbraw/zinc/00/83/26/374008326.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 2 1 298.434 2.646 10 0 CFAEMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000067847229 374008332 /nfs/dbraw/zinc/00/83/32/374008332.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 2 1 298.434 2.646 10 0 CFAEMP CC(C)[NH2+][C@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095088342 375410156 /nfs/dbraw/zinc/41/01/56/375410156.db2.gz VUNPAHLTIXBIGB-ZWKOTPCHSA-N 2 1 290.451 2.648 10 0 CFAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508136 190040362 /nfs/dbraw/zinc/04/03/62/190040362.db2.gz PYTOABHAZVOTRP-AAEUAGOBSA-N 2 1 272.314 2.527 10 0 CFAEMP CCC[C@@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)N(C)C ZINC000161865268 378877105 /nfs/dbraw/zinc/87/71/05/378877105.db2.gz JWSDYOUPCGQJBX-AWEZNQCLSA-N 2 1 286.379 2.746 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000400331307 380856793 /nfs/dbraw/zinc/85/67/93/380856793.db2.gz DSWZOZNZABHVEU-WOPDTQHZSA-N 2 1 284.350 2.937 10 0 CFAEMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368530366 381056396 /nfs/dbraw/zinc/05/63/96/381056396.db2.gz LLJJHQURMMRXAJ-MQVJKMGUSA-N 2 1 262.372 2.741 10 0 CFAEMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368530366 381056406 /nfs/dbraw/zinc/05/64/06/381056406.db2.gz LLJJHQURMMRXAJ-MQVJKMGUSA-N 2 1 262.372 2.741 10 0 CFAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000342687665 381480253 /nfs/dbraw/zinc/48/02/53/381480253.db2.gz SAMGJWXSGQTSPS-LSDHHAIUSA-N 2 1 270.461 2.638 10 0 CFAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000342687660 381480691 /nfs/dbraw/zinc/48/06/91/381480691.db2.gz SAMGJWXSGQTSPS-CABCVRRESA-N 2 1 270.461 2.638 10 0 CFAEMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC000231458196 382865154 /nfs/dbraw/zinc/86/51/54/382865154.db2.gz NFTODJTUTQUNTC-AWEZNQCLSA-N 2 1 252.427 2.939 10 0 CFAEMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000231670909 382865903 /nfs/dbraw/zinc/86/59/03/382865903.db2.gz PAXSDYWDNDJSIR-LBPRGKRZSA-N 2 1 296.798 2.643 10 0 CFAEMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000231670909 382865905 /nfs/dbraw/zinc/86/59/05/382865905.db2.gz PAXSDYWDNDJSIR-LBPRGKRZSA-N 2 1 296.798 2.643 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1ccccn1 ZINC000245971785 383055183 /nfs/dbraw/zinc/05/51/83/383055183.db2.gz VZOXWXNXCUVQIQ-HIFRSBDPSA-N 2 1 270.380 2.812 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccn1 ZINC000245971785 383055187 /nfs/dbraw/zinc/05/51/87/383055187.db2.gz VZOXWXNXCUVQIQ-HIFRSBDPSA-N 2 1 270.380 2.812 10 0 CFAEMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000246386868 383074399 /nfs/dbraw/zinc/07/43/99/383074399.db2.gz AMOFCJAFYYZAOF-BPUTZDHNSA-N 2 1 274.408 2.830 10 0 CFAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000246386868 383074403 /nfs/dbraw/zinc/07/44/03/383074403.db2.gz AMOFCJAFYYZAOF-BPUTZDHNSA-N 2 1 274.408 2.830 10 0 CFAEMP C[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423387886 383077298 /nfs/dbraw/zinc/07/72/98/383077298.db2.gz KHRMEWAOUCASCI-VNQPRFMTSA-N 2 1 276.424 2.568 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3cnccn3)C2)[nH+]1 ZINC000248624703 383273895 /nfs/dbraw/zinc/27/38/95/383273895.db2.gz OSVDPFJKBMGDSR-HUUCEWRRSA-N 2 1 297.406 2.675 10 0 CFAEMP Cc1ccc2cc(C[N@@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999073 383455482 /nfs/dbraw/zinc/45/54/82/383455482.db2.gz PQAZIMRLKYRUFE-WBMJQRKESA-N 2 1 269.392 2.570 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000261552550 383510142 /nfs/dbraw/zinc/51/01/42/383510142.db2.gz NAMQODWQWBBGNA-FPMFFAJLSA-N 2 1 250.773 2.509 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@H]12 ZINC000261556325 383511488 /nfs/dbraw/zinc/51/14/88/383511488.db2.gz BWTPGFPRIUFITK-DDTOSNHZSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@H]12 ZINC000261556325 383511490 /nfs/dbraw/zinc/51/14/90/383511490.db2.gz BWTPGFPRIUFITK-DDTOSNHZSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261591945 383524181 /nfs/dbraw/zinc/52/41/81/383524181.db2.gz METXFIKGCJVFPJ-JLBHGKSJSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261591945 383524187 /nfs/dbraw/zinc/52/41/87/383524187.db2.gz METXFIKGCJVFPJ-JLBHGKSJSA-N 2 1 266.335 2.695 10 0 CFAEMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596573 383525514 /nfs/dbraw/zinc/52/55/14/383525514.db2.gz AHXZXNSLRMDYCD-ULQDDVLXSA-N 2 1 281.403 2.712 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]12 ZINC000261597689 383525550 /nfs/dbraw/zinc/52/55/50/383525550.db2.gz ATHVUKSTIIXQLZ-CWRNSKLLSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]12 ZINC000261597689 383525554 /nfs/dbraw/zinc/52/55/54/383525554.db2.gz ATHVUKSTIIXQLZ-CWRNSKLLSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]12 ZINC000261601227 383526664 /nfs/dbraw/zinc/52/66/64/383526664.db2.gz BRNNIWNLEGEORI-QLFBSQMISA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]12 ZINC000261601227 383526670 /nfs/dbraw/zinc/52/66/70/383526670.db2.gz BRNNIWNLEGEORI-QLFBSQMISA-N 2 1 283.375 2.511 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261876417 383574243 /nfs/dbraw/zinc/57/42/43/383574243.db2.gz ZTQMTLAULHEPTP-XIRDDKMYSA-N 2 1 274.408 2.645 10 0 CFAEMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261899435 383576344 /nfs/dbraw/zinc/57/63/44/383576344.db2.gz HMRDUGOCDDEAGA-ICUGJSFKSA-N 2 1 294.483 2.948 10 0 CFAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261899462 383577036 /nfs/dbraw/zinc/57/70/36/383577036.db2.gz HNBCASNBLCJVTD-VDHUWJSZSA-N 2 1 288.435 2.537 10 0 CFAEMP Cc1ncccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261903480 383577768 /nfs/dbraw/zinc/57/77/68/383577768.db2.gz WYIKVDIJRJVYNW-MSOLQXFVSA-N 2 1 281.403 2.564 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]12 ZINC000261956357 383586212 /nfs/dbraw/zinc/58/62/12/383586212.db2.gz OSVDCODKMVQCMV-YUSALJHKSA-N 2 1 291.395 2.605 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]12 ZINC000261956357 383586213 /nfs/dbraw/zinc/58/62/13/383586213.db2.gz OSVDCODKMVQCMV-YUSALJHKSA-N 2 1 291.395 2.605 10 0 CFAEMP Clc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261995547 383592613 /nfs/dbraw/zinc/59/26/13/383592613.db2.gz TZJSVUGJGHJXFJ-XHSDSOJGSA-N 2 1 294.826 2.587 10 0 CFAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000262017757 383594718 /nfs/dbraw/zinc/59/47/18/383594718.db2.gz WHNNHSJZMHCHBH-RCCFBDPRSA-N 2 1 288.435 2.550 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000261761904 383555751 /nfs/dbraw/zinc/55/57/51/383555751.db2.gz OCAQBOJBPQWWPS-MJGOQNOKSA-N 2 1 296.414 2.740 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582933 383628600 /nfs/dbraw/zinc/62/86/00/383628600.db2.gz ZFMFMUVDFYYLIO-YTQUADARSA-N 2 1 296.414 2.888 10 0 CFAEMP Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000246169135 393851353 /nfs/dbraw/zinc/85/13/53/393851353.db2.gz NYRGVYGVMDASQD-AWEZNQCLSA-N 2 1 267.376 2.828 10 0 CFAEMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261899432 393951643 /nfs/dbraw/zinc/95/16/43/393951643.db2.gz HMRDUGOCDDEAGA-DISONHOPSA-N 2 1 294.483 2.948 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000006375884 170195853 /nfs/dbraw/zinc/19/58/53/170195853.db2.gz GKLPJMXGOMUSEO-SIGVMEELSA-N 2 1 262.441 2.887 10 0 CFAEMP CSc1ccc([C@H](C)[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521576 171235269 /nfs/dbraw/zinc/23/52/69/171235269.db2.gz RYQIABBYFKKBJG-NSHDSACASA-N 2 1 250.411 2.893 10 0 CFAEMP CCC[N@@H+](CCC[NH3+])Cc1cccc2cccnc21 ZINC000037299555 173104201 /nfs/dbraw/zinc/10/42/01/173104201.db2.gz IRXYVDGOXHLWNF-UHFFFAOYSA-N 2 1 257.381 2.796 10 0 CFAEMP CC[N@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000037469512 173227502 /nfs/dbraw/zinc/22/75/02/173227502.db2.gz IBXVKHOTUQKHPD-UHFFFAOYSA-N 2 1 258.818 2.975 10 0 CFAEMP CC[N@@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000037469512 173227505 /nfs/dbraw/zinc/22/75/05/173227505.db2.gz IBXVKHOTUQKHPD-UHFFFAOYSA-N 2 1 258.818 2.975 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040593007 174347671 /nfs/dbraw/zinc/34/76/71/174347671.db2.gz KAWAWQYXWMUTDP-GOEBONIOSA-N 2 1 276.424 2.645 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621497 174354992 /nfs/dbraw/zinc/35/49/92/174354992.db2.gz JLJGPEYPFDWSCN-RHSMWYFYSA-N 2 1 258.409 2.994 10 0 CFAEMP CSCCC[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668591 174367353 /nfs/dbraw/zinc/36/73/53/174367353.db2.gz CMIWLXVMNMXFKS-KBPBESRZSA-N 2 1 258.475 2.840 10 0 CFAEMP C[C@H]1CCC[C@@](C[NH2+]CCc2ccncc2)([NH+](C)C)C1 ZINC000040669330 174367963 /nfs/dbraw/zinc/36/79/63/174367963.db2.gz WZNMEVGHPGCRHO-DOTOQJQBSA-N 2 1 275.440 2.724 10 0 CFAEMP C[C@H]1CCC[C@](C[NH2+]CCc2ccncc2)([NH+](C)C)C1 ZINC000040669334 174368201 /nfs/dbraw/zinc/36/82/01/174368201.db2.gz WZNMEVGHPGCRHO-RDJZCZTQSA-N 2 1 275.440 2.724 10 0 CFAEMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747405 174392759 /nfs/dbraw/zinc/39/27/59/174392759.db2.gz QZGUDBJZXONYQC-YIONKMFJSA-N 2 1 288.391 2.520 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000042422680 174722199 /nfs/dbraw/zinc/72/21/99/174722199.db2.gz LQDKYHLZYQVYMY-CQSZACIVSA-N 2 1 293.386 2.501 10 0 CFAEMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428140 175041178 /nfs/dbraw/zinc/04/11/78/175041178.db2.gz RUZMEYBMIPJBAK-HUUCEWRRSA-N 2 1 254.418 2.539 10 0 CFAEMP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000043498815 175058232 /nfs/dbraw/zinc/05/82/32/175058232.db2.gz MBVWTUKZKQTUMA-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000043498815 175058233 /nfs/dbraw/zinc/05/82/33/175058233.db2.gz MBVWTUKZKQTUMA-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[NH2+][C@H](C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000043807069 175108611 /nfs/dbraw/zinc/10/86/11/175108611.db2.gz QNXZLJBMXPGOPM-YYUOFMGYSA-N 2 1 262.441 2.887 10 0 CFAEMP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818409 175112896 /nfs/dbraw/zinc/11/28/96/175112896.db2.gz AJNVEHSOZKPVDA-FUHWJXTLSA-N 2 1 289.467 2.672 10 0 CFAEMP CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818510 175113056 /nfs/dbraw/zinc/11/30/56/175113056.db2.gz DXIQPJLKPXEMRN-AEFFLSMTSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818550 175114114 /nfs/dbraw/zinc/11/41/14/175114114.db2.gz ZMTABGDZBUIEDV-ULQDDVLXSA-N 2 1 281.488 2.571 10 0 CFAEMP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043901867 175121816 /nfs/dbraw/zinc/12/18/16/175121816.db2.gz IKAJHVUJMFLXEB-IAGOWNOFSA-N 2 1 275.440 2.867 10 0 CFAEMP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901867 175121817 /nfs/dbraw/zinc/12/18/17/175121817.db2.gz IKAJHVUJMFLXEB-IAGOWNOFSA-N 2 1 275.440 2.867 10 0 CFAEMP CCCC[N@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043968156 175129822 /nfs/dbraw/zinc/12/98/22/175129822.db2.gz OQALPMYXUNTZMT-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP CCCC[N@@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043968156 175129824 /nfs/dbraw/zinc/12/98/24/175129824.db2.gz OQALPMYXUNTZMT-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970226 175130866 /nfs/dbraw/zinc/13/08/66/175130866.db2.gz XKRIXQGAQZQQQE-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970240 175131146 /nfs/dbraw/zinc/13/11/46/175131146.db2.gz GYIJAQUTEGBFMJ-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H](C)CC[N@@H+](CCOC)C(CC)CC ZINC000043977269 175133399 /nfs/dbraw/zinc/13/33/99/175133399.db2.gz SNOMZWFOTOQLOU-CQSZACIVSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977293 175133501 /nfs/dbraw/zinc/13/35/01/175133501.db2.gz JKSFEXOPONDUED-UONOGXRCSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](CC)[C@@H](C)COC ZINC000043981518 175134357 /nfs/dbraw/zinc/13/43/57/175134357.db2.gz JTATUSREYIZANF-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](CC)[C@@H](C)COC ZINC000043981518 175134359 /nfs/dbraw/zinc/13/43/59/175134359.db2.gz JTATUSREYIZANF-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCOc1ccccc1[C@H](Cn1cc[nH+]c1C)[NH2+]C ZINC000043994515 175136380 /nfs/dbraw/zinc/13/63/80/175136380.db2.gz IOZRREAZNWHSMQ-AWEZNQCLSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[NH2+][C@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1CC ZINC000044036178 175139811 /nfs/dbraw/zinc/13/98/11/175139811.db2.gz YIPWCZZIRMCRKJ-BBRMVZONSA-N 2 1 271.364 2.730 10 0 CFAEMP CCc1[nH+]ccn1[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000044037392 175139818 /nfs/dbraw/zinc/13/98/18/175139818.db2.gz MMWSXFNSPPJWQY-MLGOLLRUSA-N 2 1 273.380 2.976 10 0 CFAEMP CCc1[nH+]ccn1[C@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000044036579 175139993 /nfs/dbraw/zinc/13/99/93/175139993.db2.gz NYIAWXSMVRTEPO-HOCLYGCPSA-N 2 1 255.365 2.894 10 0 CFAEMP CC[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000044172718 175148945 /nfs/dbraw/zinc/14/89/45/175148945.db2.gz GQIZVBAUVGQDJO-MSOLQXFVSA-N 2 1 290.451 2.915 10 0 CFAEMP CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000044172718 175148947 /nfs/dbraw/zinc/14/89/47/175148947.db2.gz GQIZVBAUVGQDJO-MSOLQXFVSA-N 2 1 290.451 2.915 10 0 CFAEMP COc1cccc(C2CC([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000044533505 175197007 /nfs/dbraw/zinc/19/70/07/175197007.db2.gz JPYMFHYSVGCWOR-OOHWJJMZSA-N 2 1 288.435 2.873 10 0 CFAEMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)cc1O ZINC000044573271 175210124 /nfs/dbraw/zinc/21/01/24/175210124.db2.gz ATLAELXFWMCXDV-UHFFFAOYSA-N 2 1 280.412 2.611 10 0 CFAEMP [NH3+][C@@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675794 175226867 /nfs/dbraw/zinc/22/68/67/175226867.db2.gz YGKIGFDLESUMLI-KURKYZTESA-N 2 1 266.388 2.702 10 0 CFAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677458 175227694 /nfs/dbraw/zinc/22/76/94/175227694.db2.gz YNZSIJXXRKKPMO-PQEBFOHHSA-N 2 1 258.409 2.862 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000045171797 175321172 /nfs/dbraw/zinc/32/11/72/175321172.db2.gz HFWLQHFMYDNBHX-LBPRGKRZSA-N 2 1 292.471 2.950 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000045171795 175321294 /nfs/dbraw/zinc/32/12/94/175321294.db2.gz HFWLQHFMYDNBHX-GFCCVEGCSA-N 2 1 292.471 2.950 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000045172721 175321882 /nfs/dbraw/zinc/32/18/82/175321882.db2.gz WMLVKSTUXSZHAG-DOMZBBRYSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000045172721 175321884 /nfs/dbraw/zinc/32/18/84/175321884.db2.gz WMLVKSTUXSZHAG-DOMZBBRYSA-N 2 1 278.444 2.512 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](CC)C1CCCCC1 ZINC000045372399 175364708 /nfs/dbraw/zinc/36/47/08/175364708.db2.gz PXWJQYKTGKDLRZ-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP CCCC[NH+](CCCC)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045380614 175368938 /nfs/dbraw/zinc/36/89/38/175368938.db2.gz GBNKXOQNHDTQLV-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383703 175371458 /nfs/dbraw/zinc/37/14/58/175371458.db2.gz RCXGDXVBKJGFIU-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383703 175371460 /nfs/dbraw/zinc/37/14/60/175371460.db2.gz RCXGDXVBKJGFIU-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384868 175371913 /nfs/dbraw/zinc/37/19/13/175371913.db2.gz GSLUWECSDLKPAT-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384868 175371915 /nfs/dbraw/zinc/37/19/15/175371915.db2.gz GSLUWECSDLKPAT-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391475 175374708 /nfs/dbraw/zinc/37/47/08/175374708.db2.gz MVICEQYKJUVMPL-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267580 176100994 /nfs/dbraw/zinc/10/09/94/176100994.db2.gz QRJKRZGWEGZXNW-PHIMTYICSA-N 2 1 263.360 2.588 10 0 CFAEMP CC(C)C[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])C1CC1 ZINC000071267886 176101719 /nfs/dbraw/zinc/10/17/19/176101719.db2.gz UKKITBFCQNTVJE-UHFFFAOYSA-N 2 1 263.360 2.730 10 0 CFAEMP C[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC(C)(C)C ZINC000071267949 176101918 /nfs/dbraw/zinc/10/19/18/176101918.db2.gz QQECIYRNNRJTBZ-UHFFFAOYSA-N 2 1 251.349 2.588 10 0 CFAEMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000076656979 177045931 /nfs/dbraw/zinc/04/59/31/177045931.db2.gz ASVUQPPIGPNFMH-GFCCVEGCSA-N 2 1 252.789 2.566 10 0 CFAEMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000076656979 177045932 /nfs/dbraw/zinc/04/59/32/177045932.db2.gz ASVUQPPIGPNFMH-GFCCVEGCSA-N 2 1 252.789 2.566 10 0 CFAEMP Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398336386 270321646 /nfs/dbraw/zinc/32/16/46/270321646.db2.gz KRAANITVSQSDRK-SECBINFHSA-N 2 1 276.277 2.544 10 0 CFAEMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1[NH3+] ZINC000235387655 274366272 /nfs/dbraw/zinc/36/62/72/274366272.db2.gz SZULWFHHNUGVBB-SKDRFNHKSA-N 2 1 261.756 2.672 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358254706 279045245 /nfs/dbraw/zinc/04/52/45/279045245.db2.gz ZPGQGEUYUWXZRB-LAQRGFTBSA-N 2 1 288.435 2.807 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358254706 279045246 /nfs/dbraw/zinc/04/52/46/279045246.db2.gz ZPGQGEUYUWXZRB-LAQRGFTBSA-N 2 1 288.435 2.807 10 0 CFAEMP [NH3+]C[C@@H]1c2ccccc2CCN1c1cc[nH+]cc1Cl ZINC000227724369 279645043 /nfs/dbraw/zinc/64/50/43/279645043.db2.gz KDJWPLMWFKMHRP-OAHLLOKOSA-N 2 1 273.767 2.798 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)[nH+]1 ZINC000248757540 281246752 /nfs/dbraw/zinc/24/67/52/281246752.db2.gz CYMHRYIZTADUAK-HZPDHXFCSA-N 2 1 287.407 2.817 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)[nH+]1 ZINC000248757540 281246755 /nfs/dbraw/zinc/24/67/55/281246755.db2.gz CYMHRYIZTADUAK-HZPDHXFCSA-N 2 1 287.407 2.817 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)OCC[C@H]1CCC[N@H+]1C ZINC000052673560 519743607 /nfs/dbraw/zinc/74/36/07/519743607.db2.gz DLFSPCSFAOZIAJ-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478862 519743747 /nfs/dbraw/zinc/74/37/47/519743747.db2.gz IITFECKWHDKYNY-HNNXBMFYSA-N 2 1 263.429 2.928 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181781 519909295 /nfs/dbraw/zinc/90/92/95/519909295.db2.gz ODDXJOCXBWKQGD-CQSZACIVSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H](C)CCC)CCOCC1 ZINC000052181881 519910160 /nfs/dbraw/zinc/91/01/60/519910160.db2.gz VSLBCFQJURWCDG-HNNXBMFYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183468 519912140 /nfs/dbraw/zinc/91/21/40/519912140.db2.gz YCIXYULKRPMSMI-JKSUJKDBSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[NH2+]CCCC[N@@H+](C)Cc1ccccc1OC ZINC000052542200 519919070 /nfs/dbraw/zinc/91/90/70/519919070.db2.gz LQTNRKMRSCIWCG-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346137 519928535 /nfs/dbraw/zinc/92/85/35/519928535.db2.gz MQUOVPQZQOFVCV-ZDUSSCGKSA-N 2 1 252.377 2.893 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C(C)(C)CC)O1 ZINC000069448471 519939006 /nfs/dbraw/zinc/93/90/06/519939006.db2.gz QJRQVBCXCJGVCE-ZIAGYGMSSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)C(C)C)cc1 ZINC000052419600 519999607 /nfs/dbraw/zinc/99/96/07/519999607.db2.gz MSPATMZSLFQGQT-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454146 521971197 /nfs/dbraw/zinc/97/11/97/521971197.db2.gz BPHFPJSLSLHFSM-CQSZACIVSA-N 2 1 264.413 2.763 10 0 CFAEMP CC(C)=CC[NH+]1CCC(N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049198769 519426444 /nfs/dbraw/zinc/42/64/44/519426444.db2.gz LYGAZUAUCOOVHU-KRWDZBQOSA-N 2 1 281.488 2.593 10 0 CFAEMP CC(C)C[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052197789 519715015 /nfs/dbraw/zinc/71/50/15/519715015.db2.gz YUHIVNZXIPNIOE-UHFFFAOYSA-N 2 1 282.472 2.902 10 0 CFAEMP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453167 519727691 /nfs/dbraw/zinc/72/76/91/519727691.db2.gz UWICYKZTMMCBCC-CYBMUJFWSA-N 2 1 268.426 2.715 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183025 519742753 /nfs/dbraw/zinc/74/27/53/519742753.db2.gz IWNQOLKCBRXQFM-JKSUJKDBSA-N 2 1 280.456 2.513 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)CC(C)C)CCOCC1 ZINC000052181370 519742907 /nfs/dbraw/zinc/74/29/07/519742907.db2.gz BJIZIWMKLYPWTQ-UHFFFAOYSA-N 2 1 270.461 2.617 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419940 519748789 /nfs/dbraw/zinc/74/87/89/519748789.db2.gz SQFNQSMWRWOJTI-UHFFFAOYSA-N 2 1 293.455 2.551 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)C1CCN(C)CC1 ZINC000052419940 519748792 /nfs/dbraw/zinc/74/87/92/519748792.db2.gz SQFNQSMWRWOJTI-UHFFFAOYSA-N 2 1 293.455 2.551 10 0 CFAEMP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]cc1Br ZINC000159925537 519796489 /nfs/dbraw/zinc/79/64/89/519796489.db2.gz LCHUGDJCPZPMJO-NSHDSACASA-N 2 1 286.217 2.654 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180948 519911675 /nfs/dbraw/zinc/91/16/75/519911675.db2.gz BUJBBKSDCZTGBM-UHFFFAOYSA-N 2 1 276.424 2.525 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198215 519913787 /nfs/dbraw/zinc/91/37/87/519913787.db2.gz FDHNNWCYDCCWAW-GJZGRUSLSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419170 519925052 /nfs/dbraw/zinc/92/50/52/519925052.db2.gz KIHUDLWGDSMGJP-ROUUACIJSA-N 2 1 288.435 2.592 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504562 519936524 /nfs/dbraw/zinc/93/65/24/519936524.db2.gz KBMLAGJKOFBEDO-ZNMIVQPWSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+](C)C1CC1 ZINC000052445366 519956719 /nfs/dbraw/zinc/95/67/19/519956719.db2.gz RGPWXCMBIVATKR-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]C[C@H](C)C[N@H+](Cc1cccs1)C1CC1 ZINC000052370646 519969537 /nfs/dbraw/zinc/96/95/37/519969537.db2.gz ZMGDNFAXMGEVHQ-LBPRGKRZSA-N 2 1 252.427 2.958 10 0 CFAEMP CC[NH2+]C[C@H](C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370646 519969542 /nfs/dbraw/zinc/96/95/42/519969542.db2.gz ZMGDNFAXMGEVHQ-LBPRGKRZSA-N 2 1 252.427 2.958 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)O1 ZINC000052346049 519977176 /nfs/dbraw/zinc/97/71/76/519977176.db2.gz NMRCSFPKEQTSAN-SJORKVTESA-N 2 1 276.424 2.584 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)Cc2ccccc2)O1 ZINC000052443813 519977781 /nfs/dbraw/zinc/97/77/81/519977781.db2.gz ZCOUURLJQUYKJP-SJORKVTESA-N 2 1 276.424 2.666 10 0 CFAEMP CC[NH2+]Cc1coc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000052419133 520018877 /nfs/dbraw/zinc/01/88/77/520018877.db2.gz LTAMRLOHGIRLLV-UHFFFAOYSA-N 2 1 270.376 2.947 10 0 CFAEMP CC[NH2+]Cc1coc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000052419133 520018885 /nfs/dbraw/zinc/01/88/85/520018885.db2.gz LTAMRLOHGIRLLV-UHFFFAOYSA-N 2 1 270.376 2.947 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)Cc1ccccn1 ZINC000053867037 520020261 /nfs/dbraw/zinc/02/02/61/520020261.db2.gz QHJSJLOEFFPUFC-GDBMZVCRSA-N 2 1 261.413 2.682 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)Cc1ccccn1 ZINC000053867037 520020269 /nfs/dbraw/zinc/02/02/69/520020269.db2.gz QHJSJLOEFFPUFC-GDBMZVCRSA-N 2 1 261.413 2.682 10 0 CFAEMP CCCC[N@@H+](C)CCOc1ccccc1C[NH2+]CC ZINC000052417968 520411811 /nfs/dbraw/zinc/41/18/11/520411811.db2.gz PKYUWYJVMRSNBF-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC1(C)C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052481801 520471093 /nfs/dbraw/zinc/47/10/93/520471093.db2.gz VEDFJQPIZSFWKU-UHFFFAOYSA-N 2 1 274.364 2.502 10 0 CFAEMP CCCC[N@@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@@H](C)CC ZINC000052372713 520540917 /nfs/dbraw/zinc/54/09/17/520540917.db2.gz YJGDXOWVVZVJRU-HNNXBMFYSA-N 2 1 295.475 2.677 10 0 CFAEMP CC1(CNc2cc[nH+]cc2Br)CC[NH2+]CC1 ZINC000159927914 520739453 /nfs/dbraw/zinc/73/94/53/520739453.db2.gz OFJLTSAMHNEAAO-UHFFFAOYSA-N 2 1 284.201 2.646 10 0 CFAEMP CCC(C)(C)N(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000069430245 521311840 /nfs/dbraw/zinc/31/18/40/521311840.db2.gz HFZOAVWJSXZSKK-SFHVURJKSA-N 2 1 289.467 2.710 10 0 CFAEMP CCC(C)(C)N(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000069430245 521311852 /nfs/dbraw/zinc/31/18/52/521311852.db2.gz HFZOAVWJSXZSKK-SFHVURJKSA-N 2 1 289.467 2.710 10 0 CFAEMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669205 521564788 /nfs/dbraw/zinc/56/47/88/521564788.db2.gz ILNWDHGJCDMJOT-HNNXBMFYSA-N 2 1 292.423 2.538 10 0 CFAEMP CCC[N@@H+](CCC[NH3+])Cc1cc(C)ccc1OC ZINC000050702678 521653059 /nfs/dbraw/zinc/65/30/59/521653059.db2.gz ZIAQUQTXKRHSLM-UHFFFAOYSA-N 2 1 250.386 2.564 10 0 CFAEMP CCC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)C(C)C ZINC000052450383 521669125 /nfs/dbraw/zinc/66/91/25/521669125.db2.gz OSVGEPLWYCITJF-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000052202787 521839918 /nfs/dbraw/zinc/83/99/18/521839918.db2.gz HHBLDPWBTCGOQN-CQSZACIVSA-N 2 1 258.409 2.823 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182013 521967695 /nfs/dbraw/zinc/96/76/95/521967695.db2.gz YGVZVJHNCRRQJQ-HOTGVXAUSA-N 2 1 280.456 2.657 10 0 CFAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000052381353 522140691 /nfs/dbraw/zinc/14/06/91/522140691.db2.gz ATRJGXNQHZVTPC-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP C[NH2+]Cc1ccccc1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420691 522140854 /nfs/dbraw/zinc/14/08/54/522140854.db2.gz CGLSRBSTYWJDKF-GASCZTMLSA-N 2 1 276.424 2.763 10 0 CFAEMP CC[C@H](C[NH2+]C1CC1)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416947 522191655 /nfs/dbraw/zinc/19/16/55/522191655.db2.gz YZGDHZZTPZMEHV-QZTJIDSGSA-N 2 1 287.451 2.506 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329459 522449375 /nfs/dbraw/zinc/44/93/75/522449375.db2.gz TZSCKACMVVADOF-GFCCVEGCSA-N 2 1 259.353 2.551 10 0 CFAEMP C[N@@H+](CCCN1CCCCC1=[NH2+])Cc1ccccc1 ZINC000049583945 522748744 /nfs/dbraw/zinc/74/87/44/522748744.db2.gz FKOWSFKIOUZIBU-UHFFFAOYSA-N 2 1 259.397 2.972 10 0 CFAEMP C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669297 522919647 /nfs/dbraw/zinc/91/96/47/522919647.db2.gz WLBNYSBCPSITFL-CYBMUJFWSA-N 2 1 282.815 2.793 10 0 CFAEMP CC[C@H]1CCC[N@@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052479932 523091301 /nfs/dbraw/zinc/09/13/01/523091301.db2.gz BOEKPUJKYXGNGB-ZDUSSCGKSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[C@@H]1CCCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181294 523166397 /nfs/dbraw/zinc/16/63/97/523166397.db2.gz VEXWTMLIMGGLMH-MRXNPFEDSA-N 2 1 280.456 2.800 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1CCOc1ccccc1C[NH2+]C ZINC000052375101 523267582 /nfs/dbraw/zinc/26/75/82/523267582.db2.gz VDTVFLFRBDSZDI-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000174737346 523306140 /nfs/dbraw/zinc/30/61/40/523306140.db2.gz VRDJDFBTEANOJX-HNNXBMFYSA-N 2 1 299.418 2.782 10 0 CFAEMP CC[C@@H]1CC[N@@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000049666267 523333045 /nfs/dbraw/zinc/33/30/45/523333045.db2.gz RPZBOZIPAQJKBX-MRXNPFEDSA-N 2 1 264.388 2.832 10 0 CFAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCC[NH2+]CC(C)C ZINC000052570768 523352301 /nfs/dbraw/zinc/35/23/01/523352301.db2.gz CLXZZSVIXMYVTR-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CC[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C(C)C)c2)CCO1 ZINC000052476991 523452032 /nfs/dbraw/zinc/45/20/32/523452032.db2.gz PEWZHFPDKIAXRA-QGZVFWFLSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C)C)c2)CCO1 ZINC000052476991 523452038 /nfs/dbraw/zinc/45/20/38/523452038.db2.gz PEWZHFPDKIAXRA-QGZVFWFLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[N@@H+](Cc1oc2ccccc2c1C[NH3+])[C@@H]1CCSC1 ZINC000052453436 523618185 /nfs/dbraw/zinc/61/81/85/523618185.db2.gz NFRYWGZNDDGLJW-LLVKDONJSA-N 2 1 276.405 2.829 10 0 CFAEMP COCC[N@@H+](C)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052572961 523624479 /nfs/dbraw/zinc/62/44/79/523624479.db2.gz LYUHXKCKVDLUJI-UHFFFAOYSA-N 2 1 264.413 2.653 10 0 CFAEMP CC[C@@](C)(C[NH3+])C[N@H+](C)Cc1ccccc1OC ZINC000051253401 523640686 /nfs/dbraw/zinc/64/06/86/523640686.db2.gz BWUMCDXUMXTCEX-HNNXBMFYSA-N 2 1 250.386 2.502 10 0 CFAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)Cc1ccccc1OC ZINC000051253401 523640698 /nfs/dbraw/zinc/64/06/98/523640698.db2.gz BWUMCDXUMXTCEX-HNNXBMFYSA-N 2 1 250.386 2.502 10 0 CFAEMP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000052205445 523798188 /nfs/dbraw/zinc/79/81/88/523798188.db2.gz GDHAVQFDKWSOCC-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000052205445 523798194 /nfs/dbraw/zinc/79/81/94/523798194.db2.gz GDHAVQFDKWSOCC-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1C[NH3+] ZINC000052904935 523821908 /nfs/dbraw/zinc/82/19/08/523821908.db2.gz YOMQGVWXRNGJSQ-LLVKDONJSA-N 2 1 268.788 2.662 10 0 CFAEMP C[N@H+]1CCC[C@@H]1CCOc1ccc(C[NH3+])cc1Cl ZINC000062793333 523822545 /nfs/dbraw/zinc/82/25/45/523822545.db2.gz NZLSROIOVQBZTL-GFCCVEGCSA-N 2 1 268.788 2.662 10 0 CFAEMP CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262004329 523946690 /nfs/dbraw/zinc/94/66/90/523946690.db2.gz UWRMPMMHSWTJPZ-OAGGEKHMSA-N 2 1 294.464 2.557 10 0 CFAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546771 524162874 /nfs/dbraw/zinc/16/28/74/524162874.db2.gz IBNJAZRYTLXJIX-ZYHUDNBSSA-N 2 1 253.415 2.612 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563670 524220461 /nfs/dbraw/zinc/22/04/61/524220461.db2.gz UWDRSOYPCZCFEZ-ZIAGYGMSSA-N 2 1 289.423 2.594 10 0 CFAEMP C[C@H](Cc1ccco1)[NH2+]C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049147243 524747029 /nfs/dbraw/zinc/74/70/29/524747029.db2.gz FGERNSDYMMBRHQ-CTASWTNQSA-N 2 1 262.397 2.721 10 0 CFAEMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235160423 524908100 /nfs/dbraw/zinc/90/81/00/524908100.db2.gz KBKTVBFHYCIDNB-DZGCQCFKSA-N 2 1 264.388 2.688 10 0 CFAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052476649 525152252 /nfs/dbraw/zinc/15/22/52/525152252.db2.gz AKFWEJCAOUDLBF-KGLIPLIRSA-N 2 1 256.434 2.654 10 0 CFAEMP CSCCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000069432667 525477897 /nfs/dbraw/zinc/47/78/97/525477897.db2.gz KUDNYMZTRQIGHL-YIONKMFJSA-N 2 1 270.486 2.838 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000049156027 525602359 /nfs/dbraw/zinc/60/23/59/525602359.db2.gz DTUVGODIKOGNJM-GZBFAFLISA-N 2 1 266.454 2.999 10 0 CFAEMP c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357020 526505239 /nfs/dbraw/zinc/50/52/39/526505239.db2.gz UKKYGFBTHGEVPV-YESZJQIVSA-N 2 1 256.393 2.890 10 0 CFAEMP Cc1nc(C)c([C@H](C)[NH2+]C[C@](C)([NH3+])C2CC2)s1 ZINC000049538828 526753619 /nfs/dbraw/zinc/75/36/19/526753619.db2.gz NTIYMKCGLKLAGW-SDBXPKJASA-N 2 1 253.415 2.538 10 0 CFAEMP [NH3+]Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702145 527260224 /nfs/dbraw/zinc/26/02/24/527260224.db2.gz IYCFPXBXEIKJTR-QGZVFWFLSA-N 2 1 282.387 2.799 10 0 CFAEMP [NH3+]Cc1coc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373104 527263318 /nfs/dbraw/zinc/26/33/18/527263318.db2.gz OBLSOGAMSUVOPR-OAHLLOKOSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+][C@@H]1CCCN(c2ccc([NH+]3CCCCC3)cc2)C1 ZINC000057959603 527348270 /nfs/dbraw/zinc/34/82/70/527348270.db2.gz GNCAGOJSGQIHSC-CQSZACIVSA-N 2 1 259.397 2.604 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246234221 527394523 /nfs/dbraw/zinc/39/45/23/527394523.db2.gz GRUOUDPURPIXOO-HZPDHXFCSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246234221 527394532 /nfs/dbraw/zinc/39/45/32/527394532.db2.gz GRUOUDPURPIXOO-HZPDHXFCSA-N 2 1 277.412 2.615 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309684598 618908254 /nfs/dbraw/zinc/90/82/54/618908254.db2.gz AMSWGZPKQMMUPN-IXDOHACOSA-N 2 1 258.409 2.897 10 0 CFAEMP C[C@@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000261553352 619169679 /nfs/dbraw/zinc/16/96/79/619169679.db2.gz AEVULTIZCTWKKE-BXKDBHETSA-N 2 1 261.756 2.814 10 0 CFAEMP c1ccc(COc2cccc(CC[NH2+][C@H]3CC[NH2+]C3)c2)cc1 ZINC000261560348 619171519 /nfs/dbraw/zinc/17/15/19/619171519.db2.gz ZTOLAJKYEGSTKP-SFHVURJKSA-N 2 1 296.414 2.760 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261601488 619175077 /nfs/dbraw/zinc/17/50/77/619175077.db2.gz QBWAFKWNOPTOHB-JDTTZNEISA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261601488 619175079 /nfs/dbraw/zinc/17/50/79/619175079.db2.gz QBWAFKWNOPTOHB-JDTTZNEISA-N 2 1 266.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSCc3ccccc3)C[C@H]12 ZINC000261803576 619277108 /nfs/dbraw/zinc/27/71/08/619277108.db2.gz HCKLWLOJSSCDDR-OWCLPIDISA-N 2 1 276.449 2.589 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSCc3ccccc3)C[C@@H]12 ZINC000261803571 619277126 /nfs/dbraw/zinc/27/71/26/619277126.db2.gz HCKLWLOJSSCDDR-ARFHVFGLSA-N 2 1 276.449 2.589 10 0 CFAEMP CC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC1 ZINC000262007860 619367735 /nfs/dbraw/zinc/36/77/35/619367735.db2.gz UUEYIBTYOOWCIR-CVEARBPZSA-N 2 1 258.409 2.851 10 0 CFAEMP C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941668 625149785 /nfs/dbraw/zinc/14/97/85/625149785.db2.gz ZMWRMSXYYXKLEU-LDBYLJPUSA-N 2 1 278.440 2.551 10 0 CFAEMP C/C=C(/C)C[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000096833461 651000179 /nfs/dbraw/zinc/00/01/79/651000179.db2.gz LVCPQBHLIHEHSM-CPSFFCFKSA-N 2 1 259.397 2.868 10 0 CFAEMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC000082729006 178245586 /nfs/dbraw/zinc/24/55/86/178245586.db2.gz ZARRIMINPMVMKJ-SJORKVTESA-N 2 1 258.409 2.877 10 0 CFAEMP CC(C)[C@H]1C[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096950609 185139956 /nfs/dbraw/zinc/13/99/56/185139956.db2.gz QWGFDMSULJILOD-IAGOWNOFSA-N 2 1 258.409 2.754 10 0 CFAEMP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CCc1cccs1 ZINC000082313911 347444329 /nfs/dbraw/zinc/44/43/29/347444329.db2.gz IOJCUHGDDYZNMD-ZIAGYGMSSA-N 2 1 252.427 2.753 10 0 CFAEMP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CCc1cccs1 ZINC000082313911 347444332 /nfs/dbraw/zinc/44/43/32/347444332.db2.gz IOJCUHGDDYZNMD-ZIAGYGMSSA-N 2 1 252.427 2.753 10 0 CFAEMP [NH3+]C[C@H]([NH3+])CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000141847023 347931884 /nfs/dbraw/zinc/93/18/84/347931884.db2.gz CTESSZBSNQFERI-CYBMUJFWSA-N 2 1 270.298 2.711 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817845 179345991 /nfs/dbraw/zinc/34/59/91/179345991.db2.gz HSXGSFQCWSJHSZ-GXTWGEPZSA-N 2 1 276.380 2.550 10 0 CFAEMP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818649 179346505 /nfs/dbraw/zinc/34/65/05/179346505.db2.gz RMUKWALHHZYZHG-DZGCQCFKSA-N 2 1 262.397 2.830 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848255 179357265 /nfs/dbraw/zinc/35/72/65/179357265.db2.gz NBRHEILOFZXBCH-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836916 179351634 /nfs/dbraw/zinc/35/16/34/179351634.db2.gz QBWPZBSLHZUUIB-SJORKVTESA-N 2 1 281.488 2.571 10 0 CFAEMP CCCN(C(C)C)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846779 179355630 /nfs/dbraw/zinc/35/56/30/179355630.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[N@H+](C(C)C)[C@]1(CN)CCC[NH+](CCC)CC1 ZINC000086846779 179355631 /nfs/dbraw/zinc/35/56/31/179355631.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[N@@H+](C(C)C)[C@]1(CN)CCC[NH+](CCC)CC1 ZINC000086846779 179355632 /nfs/dbraw/zinc/35/56/32/179355632.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+](C(C)C)[C@]1(CN)CCC[N@H+](CCC)CC1 ZINC000086846779 179355633 /nfs/dbraw/zinc/35/56/33/179355633.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+](C(C)C)[C@]1(CN)CCC[N@@H+](CCC)CC1 ZINC000086846779 179355634 /nfs/dbraw/zinc/35/56/34/179355634.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC(C)(C)N(C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848842 179358543 /nfs/dbraw/zinc/35/85/43/179358543.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(C)(C)[N@H+](C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848842 179358545 /nfs/dbraw/zinc/35/85/45/179358545.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848842 179358547 /nfs/dbraw/zinc/35/85/47/179358547.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(C)(C)[NH+](C)[C@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848842 179358549 /nfs/dbraw/zinc/35/85/49/179358549.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(C)(C)[NH+](C)[C@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848842 179358551 /nfs/dbraw/zinc/35/85/51/179358551.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 1 269.477 2.699 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCCS1 ZINC000307365192 348398751 /nfs/dbraw/zinc/39/87/51/348398751.db2.gz LTKYCCNAQKTKKA-HIFRSBDPSA-N 2 1 289.448 2.589 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCCS1 ZINC000307365192 348398755 /nfs/dbraw/zinc/39/87/55/348398755.db2.gz LTKYCCNAQKTKKA-HIFRSBDPSA-N 2 1 289.448 2.589 10 0 CFAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000087911499 179519613 /nfs/dbraw/zinc/51/96/13/179519613.db2.gz OFCHXAMOUVFBHH-GARJFASQSA-N 2 1 252.324 2.825 10 0 CFAEMP CCCC1(C[N@@H+](C)C[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000104200002 185928456 /nfs/dbraw/zinc/92/84/56/185928456.db2.gz JFRSPFLXYSDNAK-OAHLLOKOSA-N 2 1 268.445 2.515 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccnc3ccccc32)CC1 ZINC000616600946 352380703 /nfs/dbraw/zinc/38/07/03/352380703.db2.gz JKCDKFUOGTZISW-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2ccnc3ccccc32)CC1 ZINC000616600946 352380706 /nfs/dbraw/zinc/38/07/06/352380706.db2.gz JKCDKFUOGTZISW-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837853 355601628 /nfs/dbraw/zinc/60/16/28/355601628.db2.gz GCQXPIVPBNCVAX-WZRBSPASSA-N 2 1 252.789 2.928 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840189 355602586 /nfs/dbraw/zinc/60/25/86/355602586.db2.gz ADXUYCXNXCKIQY-NEPJUHHUSA-N 2 1 260.406 2.928 10 0 CFAEMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852091 372603032 /nfs/dbraw/zinc/60/30/32/372603032.db2.gz NSRXTBNVKXLEBH-OAHLLOKOSA-N 2 1 262.397 2.701 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000094272646 375349532 /nfs/dbraw/zinc/34/95/32/375349532.db2.gz QRSSGFFYJPXVRZ-ZDUSSCGKSA-N 2 1 265.788 2.703 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420789 380859769 /nfs/dbraw/zinc/85/97/69/380859769.db2.gz WUVVIUMKWJTHOX-SDDRHHMPSA-N 2 1 252.789 2.989 10 0 CFAEMP CC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648818 382449062 /nfs/dbraw/zinc/44/90/62/382449062.db2.gz DHPXMVSXOKPOSU-DOTOQJQBSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648818 382449066 /nfs/dbraw/zinc/44/90/66/382449066.db2.gz DHPXMVSXOKPOSU-DOTOQJQBSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188648818 382449071 /nfs/dbraw/zinc/44/90/71/382449071.db2.gz DHPXMVSXOKPOSU-DOTOQJQBSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188648818 382449073 /nfs/dbraw/zinc/44/90/73/382449073.db2.gz DHPXMVSXOKPOSU-DOTOQJQBSA-N 2 1 275.440 2.881 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382263934 382528724 /nfs/dbraw/zinc/52/87/24/382528724.db2.gz CPBXGDMDAMKRTP-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382263934 382528732 /nfs/dbraw/zinc/52/87/32/382528732.db2.gz CPBXGDMDAMKRTP-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP Cc1nc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000386065944 382582356 /nfs/dbraw/zinc/58/23/56/382582356.db2.gz FHUAFIHXIJHCNW-OLUVUFQESA-N 2 1 267.442 2.738 10 0 CFAEMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1F ZINC000231458029 382864850 /nfs/dbraw/zinc/86/48/50/382864850.db2.gz NJFUEOBVXSLTCW-CQSZACIVSA-N 2 1 250.361 2.708 10 0 CFAEMP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000234329632 382874246 /nfs/dbraw/zinc/87/42/46/382874246.db2.gz MMDDSRJSUDRHIW-CYBMUJFWSA-N 2 1 250.361 2.566 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000261552553 383510386 /nfs/dbraw/zinc/51/03/86/383510386.db2.gz NAMQODWQWBBGNA-MRVWCRGKSA-N 2 1 250.773 2.509 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)C[C@H]12 ZINC000261690742 383543887 /nfs/dbraw/zinc/54/38/87/383543887.db2.gz NHZNZTDOLIJRLR-VBNZEHGJSA-N 2 1 285.366 2.543 10 0 CFAEMP Cc1csc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000262227399 383612914 /nfs/dbraw/zinc/61/29/14/383612914.db2.gz NLTVKYUJODIIRG-AWEZNQCLSA-N 2 1 279.453 2.978 10 0 CFAEMP CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261964424 383587799 /nfs/dbraw/zinc/58/77/99/383587799.db2.gz PXLLBLFEAOBESN-ARFHVFGLSA-N 2 1 282.472 2.950 10 0 CFAEMP c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC21CC1 ZINC000261988463 383591030 /nfs/dbraw/zinc/59/10/30/383591030.db2.gz SAXWBLMAZYIXJQ-AWEZNQCLSA-N 2 1 256.393 2.533 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262030995 383597608 /nfs/dbraw/zinc/59/76/08/383597608.db2.gz XEYHEJZCSATHQB-BPQIPLTHSA-N 2 1 286.419 2.645 10 0 CFAEMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262087875 383603652 /nfs/dbraw/zinc/60/36/52/383603652.db2.gz GJKWMRVZIJTVPX-XEGUGMAKSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262087875 383603658 /nfs/dbraw/zinc/60/36/58/383603658.db2.gz GJKWMRVZIJTVPX-XEGUGMAKSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262087873 383603680 /nfs/dbraw/zinc/60/36/80/383603680.db2.gz GJKWMRVZIJTVPX-PSOPSSQASA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262087873 383603684 /nfs/dbraw/zinc/60/36/84/383603684.db2.gz GJKWMRVZIJTVPX-PSOPSSQASA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262087876 383604136 /nfs/dbraw/zinc/60/41/36/383604136.db2.gz GJKWMRVZIJTVPX-ZBINZKHDSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262087876 383604142 /nfs/dbraw/zinc/60/41/42/383604142.db2.gz GJKWMRVZIJTVPX-ZBINZKHDSA-N 2 1 280.799 2.518 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000261780981 383559630 /nfs/dbraw/zinc/55/96/30/383559630.db2.gz PNQMIGKIMLAJCP-MPKXVKKWSA-N 2 1 284.325 2.875 10 0 CFAEMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000262570028 383627746 /nfs/dbraw/zinc/62/77/46/383627746.db2.gz XIHWHMRSTXUQCF-UAGQMJEPSA-N 2 1 297.402 2.819 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)C[C@H]21 ZINC000381586066 393564424 /nfs/dbraw/zinc/56/44/24/393564424.db2.gz CPMKBJZZURACJJ-AAVRWANBSA-N 2 1 272.383 2.871 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)C[C@H]21 ZINC000381586067 393564619 /nfs/dbraw/zinc/56/46/19/393564619.db2.gz CPMKBJZZURACJJ-XJFOESAGSA-N 2 1 272.383 2.871 10 0 CFAEMP CCOc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231460474 393781806 /nfs/dbraw/zinc/78/18/06/393781806.db2.gz QXNNDADKUZOSLG-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763705 393888110 /nfs/dbraw/zinc/88/81/10/393888110.db2.gz SSGKBJSMEJFLRG-AWEZNQCLSA-N 2 1 269.392 2.666 10 0 CFAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394672153 397551079 /nfs/dbraw/zinc/55/10/79/397551079.db2.gz SYROLCSNAWKLJP-CHWSQXEVSA-N 2 1 260.372 2.873 10 0 CFAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000399085696 397561608 /nfs/dbraw/zinc/56/16/08/397561608.db2.gz UKWRUCVDYQAECK-INIZCTEOSA-N 2 1 280.456 2.536 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000005842655 170146065 /nfs/dbraw/zinc/14/60/65/170146065.db2.gz GKLPJMXGOMUSEO-CWJHNBGESA-N 2 1 262.441 2.887 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173359 173007883 /nfs/dbraw/zinc/00/78/83/173007883.db2.gz YQTDDAIXZXTXPG-JTQLQIEISA-N 2 1 251.349 2.588 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220144 173038117 /nfs/dbraw/zinc/03/81/17/173038117.db2.gz PNOGSYXPZQLUPS-LZWOXQAQSA-N 2 1 261.413 2.853 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221635 173042457 /nfs/dbraw/zinc/04/24/57/173042457.db2.gz PYKZCHZMVXLJJS-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000037299592 173104177 /nfs/dbraw/zinc/10/41/77/173104177.db2.gz QTLAWPNJOILMSO-UHFFFAOYSA-N 2 1 257.381 2.794 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656608066 414616144 /nfs/dbraw/zinc/61/61/44/414616144.db2.gz HHHKSHAEJYITAX-CYBMUJFWSA-N 2 1 279.815 2.951 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040623441 174355722 /nfs/dbraw/zinc/35/57/22/174355722.db2.gz AMDMFDDXZLTGTQ-DGCLKSJQSA-N 2 1 267.442 2.832 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040623441 174355724 /nfs/dbraw/zinc/35/57/24/174355724.db2.gz AMDMFDDXZLTGTQ-DGCLKSJQSA-N 2 1 267.442 2.832 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccccc1 ZINC000040750477 174395924 /nfs/dbraw/zinc/39/59/24/174395924.db2.gz TZHNMIOUOFUMSI-AGUYFDCRSA-N 2 1 262.422 2.733 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NCC[NH+]2CCCCCC2)C1 ZINC000040767718 174398207 /nfs/dbraw/zinc/39/82/07/174398207.db2.gz HHHLIZGMQODZBE-SJORKVTESA-N 2 1 281.488 2.572 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1ccccn1)n1cc[nH+]c1C(C)C ZINC000043341422 175015370 /nfs/dbraw/zinc/01/53/70/175015370.db2.gz CFMXMSZKRZNGIA-GXTWGEPZSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1cccnc1)n1cc[nH+]c1C(C)C ZINC000043348868 175019416 /nfs/dbraw/zinc/01/94/16/175019416.db2.gz CGJQHGYTOAPQFL-KBPBESRZSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@H](N)[C@@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364994 175026109 /nfs/dbraw/zinc/02/61/09/175026109.db2.gz LLXWIIGKFWUQCD-RDJZCZTQSA-N 2 1 293.455 2.640 10 0 CFAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389752 175033614 /nfs/dbraw/zinc/03/36/14/175033614.db2.gz ONATWUIBIKEKPV-LLVKDONJSA-N 2 1 256.752 2.520 10 0 CFAEMP C[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)C(N)=[NH2+] ZINC000043512049 175060625 /nfs/dbraw/zinc/06/06/25/175060625.db2.gz UFUUDPUREDVXJP-VIFPVBQESA-N 2 1 273.302 2.709 10 0 CFAEMP C[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C(N)=[NH2+] ZINC000043512049 175060627 /nfs/dbraw/zinc/06/06/27/175060627.db2.gz UFUUDPUREDVXJP-VIFPVBQESA-N 2 1 273.302 2.709 10 0 CFAEMP CC[N@@H+](CCC[C@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC000043592015 175074315 /nfs/dbraw/zinc/07/43/15/175074315.db2.gz NWWQPXXHQMFEKL-OAHLLOKOSA-N 2 1 261.413 2.683 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC)C1CCCCC1 ZINC000043804303 175107560 /nfs/dbraw/zinc/10/75/60/175107560.db2.gz DKHCQIGMODDRNN-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC)C1CCCCC1 ZINC000043804303 175107561 /nfs/dbraw/zinc/10/75/61/175107561.db2.gz DKHCQIGMODDRNN-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(CC)cc1 ZINC000043818441 175112979 /nfs/dbraw/zinc/11/29/79/175112979.db2.gz FHWNQQTXIXTTQY-GOSISDBHSA-N 2 1 289.467 2.537 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818552 175113701 /nfs/dbraw/zinc/11/37/01/175113701.db2.gz ZMTABGDZBUIEDV-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884226 175116497 /nfs/dbraw/zinc/11/64/97/175116497.db2.gz JVPJQSQXGLITOD-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884226 175116499 /nfs/dbraw/zinc/11/64/99/175116499.db2.gz JVPJQSQXGLITOD-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907612 175123181 /nfs/dbraw/zinc/12/31/81/175123181.db2.gz LUPHVJCLSFPZQA-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](CCCOC)CCOC ZINC000043971021 175131991 /nfs/dbraw/zinc/13/19/91/175131991.db2.gz RMKSYWLYCWWAHN-HOTGVXAUSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](CCCOC)CCOC ZINC000043971021 175131993 /nfs/dbraw/zinc/13/19/93/175131993.db2.gz RMKSYWLYCWWAHN-HOTGVXAUSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976832 175132768 /nfs/dbraw/zinc/13/27/68/175132768.db2.gz AFLMEYJXFZQQJT-JONQDZQNSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976832 175132769 /nfs/dbraw/zinc/13/27/69/175132769.db2.gz AFLMEYJXFZQQJT-JONQDZQNSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](CC)[C@@H](C)COC)C1 ZINC000043980925 175134277 /nfs/dbraw/zinc/13/42/77/175134277.db2.gz BJCDXAHFMMNEJJ-LJISPDSOSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](CC)[C@@H](C)COC)C1 ZINC000043980925 175134279 /nfs/dbraw/zinc/13/42/79/175134279.db2.gz BJCDXAHFMMNEJJ-LJISPDSOSA-N 2 1 256.434 2.510 10 0 CFAEMP CCCOc1ccc([C@H](Cn2cc[nH+]c2C)[NH2+]C)cc1 ZINC000043994519 175136209 /nfs/dbraw/zinc/13/62/09/175136209.db2.gz QWAIMPCWDZHBOD-INIZCTEOSA-N 2 1 273.380 2.941 10 0 CFAEMP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)n1cc[nH+]c1C ZINC000043994510 175136477 /nfs/dbraw/zinc/13/64/77/175136477.db2.gz UGPSOGOEXBCFNX-XHDPSFHLSA-N 2 1 259.353 2.722 10 0 CFAEMP CCC[NH2+][C@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1C ZINC000043993689 175136742 /nfs/dbraw/zinc/13/67/42/175136742.db2.gz OOWPLTKEDCAZGI-ZBFHGGJFSA-N 2 1 271.364 2.866 10 0 CFAEMP CCOc1ccc([C@H](Cn2cc[nH+]c2CC)[NH2+]C)cc1 ZINC000044037318 175139632 /nfs/dbraw/zinc/13/96/32/175139632.db2.gz HNMLWQYCRKVWMM-HNNXBMFYSA-N 2 1 273.380 2.805 10 0 CFAEMP CC(C)[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044132977 175145292 /nfs/dbraw/zinc/14/52/92/175145292.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 2 1 290.451 2.771 10 0 CFAEMP NC(=[NH2+])CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044426599 175174702 /nfs/dbraw/zinc/17/47/02/175174702.db2.gz XQLIALKYWKHARP-UHFFFAOYSA-N 2 1 285.313 2.996 10 0 CFAEMP NC(=[NH2+])CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044426599 175174704 /nfs/dbraw/zinc/17/47/04/175174704.db2.gz XQLIALKYWKHARP-UHFFFAOYSA-N 2 1 285.313 2.996 10 0 CFAEMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000044482964 175179896 /nfs/dbraw/zinc/17/98/96/175179896.db2.gz WVGLPBIDWQGBSE-CVEARBPZSA-N 2 1 260.425 2.939 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000044561421 175205029 /nfs/dbraw/zinc/20/50/29/175205029.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCC[NH+]2C)C1 ZINC000044561421 175205030 /nfs/dbraw/zinc/20/50/30/175205030.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCC[NH+]2C)C1 ZINC000044561421 175205032 /nfs/dbraw/zinc/20/50/32/175205032.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044561421 175205033 /nfs/dbraw/zinc/20/50/33/175205033.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC000044561421 175205035 /nfs/dbraw/zinc/20/50/35/175205035.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP C[N@@H+]1CCCC[C@H]1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000044563670 175207719 /nfs/dbraw/zinc/20/77/19/175207719.db2.gz DXRIYXVQQUITRT-NSHDSACASA-N 2 1 278.787 2.756 10 0 CFAEMP C[N@H+]1CCCC[C@H]1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000044563670 175207720 /nfs/dbraw/zinc/20/77/20/175207720.db2.gz DXRIYXVQQUITRT-NSHDSACASA-N 2 1 278.787 2.756 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1C ZINC000045168317 175319595 /nfs/dbraw/zinc/31/95/95/175319595.db2.gz CBMMADOBNTUMMB-ZDUSSCGKSA-N 2 1 278.444 2.656 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[NH+]1CCCCCCC1 ZINC000045371401 175364288 /nfs/dbraw/zinc/36/42/88/175364288.db2.gz SOJACPMYEQSBAT-INIZCTEOSA-N 2 1 284.444 2.703 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045380897 175369844 /nfs/dbraw/zinc/36/98/44/175369844.db2.gz GEQILWKSCMFWBR-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045380897 175369845 /nfs/dbraw/zinc/36/98/45/175369845.db2.gz GEQILWKSCMFWBR-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381291 175369869 /nfs/dbraw/zinc/36/98/69/175369869.db2.gz BORMXJSZHJYZKB-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381291 175369870 /nfs/dbraw/zinc/36/98/70/175369870.db2.gz BORMXJSZHJYZKB-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)CC(C)C)[NH2+]C ZINC000045381686 175370108 /nfs/dbraw/zinc/37/01/08/175370108.db2.gz MSYQNUZCKNQEOZ-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)CC(C)C)[NH2+]C ZINC000045381686 175370110 /nfs/dbraw/zinc/37/01/10/175370110.db2.gz MSYQNUZCKNQEOZ-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384691 175371768 /nfs/dbraw/zinc/37/17/68/175371768.db2.gz ADCYDYRBCZOQCW-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384691 175371769 /nfs/dbraw/zinc/37/17/69/175371769.db2.gz ADCYDYRBCZOQCW-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C ZINC000045384677 175371800 /nfs/dbraw/zinc/37/18/00/175371800.db2.gz QKCBWWREMZSLJR-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C ZINC000045384677 175371803 /nfs/dbraw/zinc/37/18/03/175371803.db2.gz QKCBWWREMZSLJR-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)OCC)C(C)C ZINC000045386022 175372414 /nfs/dbraw/zinc/37/24/14/175372414.db2.gz RWDPKYGIPZNXCL-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]CC)C(=O)OCC)C(C)C ZINC000045386022 175372417 /nfs/dbraw/zinc/37/24/17/175372417.db2.gz RWDPKYGIPZNXCL-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386377 175373291 /nfs/dbraw/zinc/37/32/91/175373291.db2.gz RGDQKHVYQWRBGE-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386377 175373292 /nfs/dbraw/zinc/37/32/92/175373292.db2.gz RGDQKHVYQWRBGE-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386422 175373345 /nfs/dbraw/zinc/37/33/45/175373345.db2.gz KJUYIAJZYKVIGY-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386422 175373346 /nfs/dbraw/zinc/37/33/46/175373346.db2.gz KJUYIAJZYKVIGY-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045388668 175374260 /nfs/dbraw/zinc/37/42/60/175374260.db2.gz VIENOSGYQOLFDM-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045388668 175374261 /nfs/dbraw/zinc/37/42/61/175374261.db2.gz VIENOSGYQOLFDM-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000071142598 176040293 /nfs/dbraw/zinc/04/02/93/176040293.db2.gz UFFXLMDXHQSURS-BXUZGUMPSA-N 2 1 250.411 2.741 10 0 CFAEMP CCC[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC1CC1 ZINC000071267814 176101331 /nfs/dbraw/zinc/10/13/31/176101331.db2.gz KZPDGHIENLRLRG-UHFFFAOYSA-N 2 1 263.360 2.732 10 0 CFAEMP CN(c1cc[nH+]c2cc(Cl)ccc21)[C@@H]1CC[NH2+]C1 ZINC000071311755 176118939 /nfs/dbraw/zinc/11/89/39/176118939.db2.gz NUSYJJVQZBFZJC-LLVKDONJSA-N 2 1 261.756 2.686 10 0 CFAEMP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000071344216 176130896 /nfs/dbraw/zinc/13/08/96/176130896.db2.gz YCCZTHXNZKSHHI-CQSZACIVSA-N 2 1 261.413 2.600 10 0 CFAEMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000071344216 176130897 /nfs/dbraw/zinc/13/08/97/176130897.db2.gz YCCZTHXNZKSHHI-CQSZACIVSA-N 2 1 261.413 2.600 10 0 CFAEMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCC1(F)F)CC2 ZINC000336198607 277042194 /nfs/dbraw/zinc/04/21/94/277042194.db2.gz JPHRWNDDJQRLQK-CYBMUJFWSA-N 2 1 272.383 2.982 10 0 CFAEMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCC1(F)F)CC2 ZINC000336198607 277042195 /nfs/dbraw/zinc/04/21/95/277042195.db2.gz JPHRWNDDJQRLQK-CYBMUJFWSA-N 2 1 272.383 2.982 10 0 CFAEMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310972221 278312940 /nfs/dbraw/zinc/31/29/40/278312940.db2.gz DMOQQLSBXKHBJK-LALPHHSUSA-N 2 1 250.361 2.803 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)[nH+]1 ZINC000193855441 281245004 /nfs/dbraw/zinc/24/50/04/281245004.db2.gz CYMHRYIZTADUAK-HOTGVXAUSA-N 2 1 287.407 2.817 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH+]1 ZINC000193855441 281245008 /nfs/dbraw/zinc/24/50/08/281245008.db2.gz CYMHRYIZTADUAK-HOTGVXAUSA-N 2 1 287.407 2.817 10 0 CFAEMP CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249414482 281291064 /nfs/dbraw/zinc/29/10/64/281291064.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249414482 281291066 /nfs/dbraw/zinc/29/10/66/281291066.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249414482 281291067 /nfs/dbraw/zinc/29/10/67/281291067.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 2 1 282.472 2.734 10 0 CFAEMP C[NH+](C)C[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000503718625 289192684 /nfs/dbraw/zinc/19/26/84/289192684.db2.gz IBZLRHHUCPVRGU-JYJNAYRXSA-N 2 1 250.430 2.696 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]21 ZINC000261558976 295309973 /nfs/dbraw/zinc/30/99/73/295309973.db2.gz XOKWCVKIPUHGLU-RFQIPJPRSA-N 2 1 272.383 2.871 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)Cc1cscn1 ZINC000052503850 519743755 /nfs/dbraw/zinc/74/37/55/519743755.db2.gz LEWZSZACXHODKP-ZDUSSCGKSA-N 2 1 269.458 2.989 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000052503850 519743757 /nfs/dbraw/zinc/74/37/57/519743757.db2.gz LEWZSZACXHODKP-ZDUSSCGKSA-N 2 1 269.458 2.989 10 0 CFAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CCCSCC1 ZINC000052370962 519794743 /nfs/dbraw/zinc/79/47/43/519794743.db2.gz LJJGNEGLOWNHNR-CYBMUJFWSA-N 2 1 258.475 2.838 10 0 CFAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CCCSCC1 ZINC000052370962 519794744 /nfs/dbraw/zinc/79/47/44/519794744.db2.gz LJJGNEGLOWNHNR-CYBMUJFWSA-N 2 1 258.475 2.838 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181824 519909269 /nfs/dbraw/zinc/90/92/69/519909269.db2.gz VOKWVSYZGVECBM-MRXNPFEDSA-N 2 1 282.472 2.905 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182772 519909330 /nfs/dbraw/zinc/90/93/30/519909330.db2.gz LHZKQDXPQBDEAD-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181380 519909356 /nfs/dbraw/zinc/90/93/56/519909356.db2.gz YDIDBLXKGZIHLY-HNNXBMFYSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)C(C)C)CCOCC1 ZINC000052181316 519909407 /nfs/dbraw/zinc/90/94/07/519909407.db2.gz UDMVGUYZVBSTDP-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346821 519951540 /nfs/dbraw/zinc/95/15/40/519951540.db2.gz WPHHLDODCQENBA-HOTGVXAUSA-N 2 1 268.445 2.656 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](CC)C(C)C ZINC000052446794 520009305 /nfs/dbraw/zinc/00/93/05/520009305.db2.gz BMZMJSQLSJHFRJ-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]Cc1coc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420763 520019068 /nfs/dbraw/zinc/01/90/68/520019068.db2.gz LAVQSGUERXLXOI-BETUJISGSA-N 2 1 250.386 2.867 10 0 CFAEMP CCCC[N@@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052417967 520410421 /nfs/dbraw/zinc/41/04/21/520410421.db2.gz MQYOLPRHPSWNGR-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC[C@](C)(C[NH2+]C1CC1)C[NH+]1CCSCC1 ZINC000051214289 521266798 /nfs/dbraw/zinc/26/67/98/521266798.db2.gz CIPNTOHNZOYEDD-CQSZACIVSA-N 2 1 256.459 2.594 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346167 522165255 /nfs/dbraw/zinc/16/52/55/522165255.db2.gz VXGINLVVQRHYJE-UHFFFAOYSA-N 2 1 262.328 2.770 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346167 522165263 /nfs/dbraw/zinc/16/52/63/522165263.db2.gz VXGINLVVQRHYJE-UHFFFAOYSA-N 2 1 262.328 2.770 10 0 CFAEMP O[C@@H](CNc1cc[nH+]c2ccsc21)C[NH+]1CCCCC1 ZINC000174684719 534403624 /nfs/dbraw/zinc/40/36/24/534403624.db2.gz UQNYDAWOTTXWFQ-LBPRGKRZSA-N 2 1 291.420 2.555 10 0 CFAEMP CC(C)[N@H+](C)CCCCn1c[nH+]c2cc(N)ccc21 ZINC000052854391 519617437 /nfs/dbraw/zinc/61/74/37/519617437.db2.gz PMWIXKVLNPSCCV-UHFFFAOYSA-N 2 1 260.385 2.739 10 0 CFAEMP CC(C)[N@@H+](C)CCCCn1c[nH+]c2cc(N)ccc21 ZINC000052854391 519617442 /nfs/dbraw/zinc/61/74/42/519617442.db2.gz PMWIXKVLNPSCCV-UHFFFAOYSA-N 2 1 260.385 2.739 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456369 519725060 /nfs/dbraw/zinc/72/50/60/519725060.db2.gz QHCUJABKXFTQGB-KGLIPLIRSA-N 2 1 282.453 2.726 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(OCC[N@@H+](C)C(C)C)cc1 ZINC000052419602 519727122 /nfs/dbraw/zinc/72/71/22/519727122.db2.gz DEKXLNVWZBENNK-UHFFFAOYSA-N 2 1 264.413 2.904 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380258 519727478 /nfs/dbraw/zinc/72/74/78/519727478.db2.gz LJXYHJNESSGHPX-GASCZTMLSA-N 2 1 276.424 2.794 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380258 519727479 /nfs/dbraw/zinc/72/74/79/519727479.db2.gz LJXYHJNESSGHPX-GASCZTMLSA-N 2 1 276.424 2.794 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483019 519744612 /nfs/dbraw/zinc/74/46/12/519744612.db2.gz YLTPDEKRIUITDV-KRWDZBQOSA-N 2 1 277.456 2.826 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483019 519744613 /nfs/dbraw/zinc/74/46/13/519744613.db2.gz YLTPDEKRIUITDV-KRWDZBQOSA-N 2 1 277.456 2.826 10 0 CFAEMP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCCSCC1 ZINC000052371033 519748046 /nfs/dbraw/zinc/74/80/46/519748046.db2.gz MBXXWGSPCOXEII-UHFFFAOYSA-N 2 1 282.453 2.964 10 0 CFAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052452980 519794906 /nfs/dbraw/zinc/79/49/06/519794906.db2.gz UWJJWHAVVCBSSZ-CHWSQXEVSA-N 2 1 258.475 2.836 10 0 CFAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052452980 519794907 /nfs/dbraw/zinc/79/49/07/519794907.db2.gz UWJJWHAVVCBSSZ-CHWSQXEVSA-N 2 1 258.475 2.836 10 0 CFAEMP CCC[NH+]1CCC(n2c[nH+]c3cc(N)ccc32)CC1 ZINC000052855292 519848356 /nfs/dbraw/zinc/84/83/56/519848356.db2.gz RBTBXVUZGVNJAL-UHFFFAOYSA-N 2 1 258.369 2.665 10 0 CFAEMP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@H](C)[NH+](C)C ZINC000052854551 519869583 /nfs/dbraw/zinc/86/95/83/519869583.db2.gz KKTBLLUEPOPXFZ-NSHDSACASA-N 2 1 260.385 2.692 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](OCCC)C1 ZINC000052371677 519918791 /nfs/dbraw/zinc/91/87/91/519918791.db2.gz RQCBMZJDVXMBSD-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572052 519925534 /nfs/dbraw/zinc/92/55/34/519925534.db2.gz YOPWFVSOWUGDCK-JYJNAYRXSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@H+](Cc1ccco1)C1CC1 ZINC000052370826 519930923 /nfs/dbraw/zinc/93/09/23/519930923.db2.gz LKAPFVPSZFQWPO-ZDUSSCGKSA-N 2 1 250.386 2.880 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370826 519930931 /nfs/dbraw/zinc/93/09/31/519930931.db2.gz LKAPFVPSZFQWPO-ZDUSSCGKSA-N 2 1 250.386 2.880 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)C2CCCCC2)O1 ZINC000052420133 519952548 /nfs/dbraw/zinc/95/25/48/519952548.db2.gz RBFOZCFVJWSRFV-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424737 519977634 /nfs/dbraw/zinc/97/76/34/519977634.db2.gz HHTCJTQKZLVVEI-SJORKVTESA-N 2 1 276.424 2.584 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@@H](C)CC ZINC000052444129 520008266 /nfs/dbraw/zinc/00/82/66/520008266.db2.gz CXXGESLDXCTQRK-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]Cc1nc(C[NH+]2CCC(CC)CC2)cs1 ZINC000052346876 520020032 /nfs/dbraw/zinc/02/00/32/520020032.db2.gz MEMDHVBIFHYUEE-UHFFFAOYSA-N 2 1 267.442 2.875 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@@H]2CC)cs1 ZINC000052374762 520021562 /nfs/dbraw/zinc/02/15/62/520021562.db2.gz SKTOKSHLAXLYQA-LBPRGKRZSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCOC[C@@H]1C ZINC000052475838 520030929 /nfs/dbraw/zinc/03/09/29/520030929.db2.gz QWGOWALGTPZIGK-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCOC[C@@H]1C ZINC000052475838 520030932 /nfs/dbraw/zinc/03/09/32/520030932.db2.gz QWGOWALGTPZIGK-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431422 520093000 /nfs/dbraw/zinc/09/30/00/520093000.db2.gz LUZBAUOTWHWHNR-GJZGRUSLSA-N 2 1 298.471 2.771 10 0 CFAEMP CCn1cc(C2CC[NH+](CCC[NH+](CC)CC)CC2)cn1 ZINC000191468885 520603842 /nfs/dbraw/zinc/60/38/42/520603842.db2.gz JZNQAKNLQLCAQC-UHFFFAOYSA-N 2 1 292.471 2.814 10 0 CFAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000191487347 520608266 /nfs/dbraw/zinc/60/82/66/520608266.db2.gz DJSNUCFWLCAAHC-MRXNPFEDSA-N 2 1 292.471 2.906 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000191487347 520608274 /nfs/dbraw/zinc/60/82/74/520608274.db2.gz DJSNUCFWLCAAHC-MRXNPFEDSA-N 2 1 292.471 2.906 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)C(C)C ZINC000052181318 520938169 /nfs/dbraw/zinc/93/81/69/520938169.db2.gz MDHGWGSKHJBPCC-UHFFFAOYSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953412 521040521 /nfs/dbraw/zinc/04/05/21/521040521.db2.gz HZGYKZIJEJARGF-INIZCTEOSA-N 2 1 261.413 2.826 10 0 CFAEMP CCC[NH+](CCC)Cc1csc(C[NH2+]CC)n1 ZINC000052416652 521648730 /nfs/dbraw/zinc/64/87/30/521648730.db2.gz QJEQPGLZSXJXDN-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346395 522093904 /nfs/dbraw/zinc/09/39/04/522093904.db2.gz ADVQEQXWYCVPGH-CABCVRRESA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000052381371 522133360 /nfs/dbraw/zinc/13/33/60/522133360.db2.gz QOWARMSAIFJUEP-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380393 522160755 /nfs/dbraw/zinc/16/07/55/522160755.db2.gz ZQZCNVNCQSMZJF-BETUJISGSA-N 2 1 288.391 2.761 10 0 CFAEMP C[NH2+]Cc1oc(C[N@H+]2CCc3ccccc3C2)cc1C ZINC000052419198 522160963 /nfs/dbraw/zinc/16/09/63/522160963.db2.gz COQZQWUJPWNUEH-UHFFFAOYSA-N 2 1 270.376 2.866 10 0 CFAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)[C@H]1CCSC1 ZINC000052453532 522730975 /nfs/dbraw/zinc/73/09/75/522730975.db2.gz IYLBVTJIFPXBSQ-ZDUSSCGKSA-N 2 1 258.475 2.982 10 0 CFAEMP C[N@@H+](CCCNCCC[NH+]1CCCC1)C1CCCCC1 ZINC000049332520 522771236 /nfs/dbraw/zinc/77/12/36/522771236.db2.gz QMOMUYGJMOGUEP-UHFFFAOYSA-N 2 1 281.488 2.717 10 0 CFAEMP CC[C@H]1CCC[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052375140 523107698 /nfs/dbraw/zinc/10/76/98/523107698.db2.gz AZTYZXATBGLIRP-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@H+](Cc1ccco1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052456889 523437187 /nfs/dbraw/zinc/43/71/87/523437187.db2.gz FCCPUUVYJQYXEN-ZFWWWQNUSA-N 2 1 280.412 2.647 10 0 CFAEMP CCn1cc[nH+]c1N(CCC[NH3+])C1CCCCCC1 ZINC000050607908 523547046 /nfs/dbraw/zinc/54/70/46/523547046.db2.gz MBHVYQNPPGEMJX-UHFFFAOYSA-N 2 1 264.417 2.781 10 0 CFAEMP COCC[N@@H+](CC(C)C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052508644 523682067 /nfs/dbraw/zinc/68/20/67/523682067.db2.gz VYUVVGMXERZFBK-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](CCC[NH3+])C(C)C ZINC000050702682 523810273 /nfs/dbraw/zinc/81/02/73/523810273.db2.gz XSMVJKYOICYFCU-UHFFFAOYSA-N 2 1 250.386 2.563 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](CCC[NH3+])CC(C)C ZINC000050702821 523811010 /nfs/dbraw/zinc/81/10/10/523811010.db2.gz UIQRPDMSZNLDAV-UHFFFAOYSA-N 2 1 264.413 2.810 10 0 CFAEMP CC[C@H](C)[N@@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052444141 523922764 /nfs/dbraw/zinc/92/27/64/523922764.db2.gz HIYQFHKUIVUPIO-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP C[C@H]1CCC[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180806 524085995 /nfs/dbraw/zinc/08/59/95/524085995.db2.gz JPPKNDIZRGINTG-HNNXBMFYSA-N 2 1 282.472 2.903 10 0 CFAEMP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149889 524176243 /nfs/dbraw/zinc/17/62/43/524176243.db2.gz LBXAKHAVRIRQOG-MRXNPFEDSA-N 2 1 276.424 2.886 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563668 524219753 /nfs/dbraw/zinc/21/97/53/524219753.db2.gz OBNRLPYTVNJMKM-ZIAGYGMSSA-N 2 1 289.423 2.594 10 0 CFAEMP C[C@@H]1CCC[N@H+](CCc2[nH]c3ccc(N)cc3[nH+]2)[C@@H]1C ZINC000050563262 524228749 /nfs/dbraw/zinc/22/87/49/524228749.db2.gz IMHSCBVYKLBYQR-VXGBXAGGSA-N 2 1 272.396 2.808 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCc2[nH]c3ccc(N)cc3[nH+]2)[C@@H]1C ZINC000050563262 524228750 /nfs/dbraw/zinc/22/87/50/524228750.db2.gz IMHSCBVYKLBYQR-VXGBXAGGSA-N 2 1 272.396 2.808 10 0 CFAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](C[NH2+]C3CC3)C2)[C@@H]1C ZINC000053012679 524391841 /nfs/dbraw/zinc/39/18/41/524391841.db2.gz LERHHLCVNXCAKI-KQTLUZQSSA-N 2 1 250.430 2.885 10 0 CFAEMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151245867 524460867 /nfs/dbraw/zinc/46/08/67/524460867.db2.gz QUMSCAYGORMREO-SJLPKXTDSA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1cccc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH+]1 ZINC000328274706 524566072 /nfs/dbraw/zinc/56/60/72/524566072.db2.gz QMBWBRRKYVFEFP-CVEARBPZSA-N 2 1 267.376 2.569 10 0 CFAEMP Cc1cc(CN2CCC[N@H+](C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052424485 524681926 /nfs/dbraw/zinc/68/19/26/524681926.db2.gz BFNLTZZOUUBUSJ-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP Cc1cc(C[N@H+]2CCCN(C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052424485 524681935 /nfs/dbraw/zinc/68/19/35/524681935.db2.gz BFNLTZZOUUBUSJ-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP Cc1cc(C[N@@H+]2CCCN(C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052424485 524681939 /nfs/dbraw/zinc/68/19/39/524681939.db2.gz BFNLTZZOUUBUSJ-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc(C[NH3+])cc1 ZINC000050563649 525638971 /nfs/dbraw/zinc/63/89/71/525638971.db2.gz RQHRUUYXOXXXNY-UONOGXRCSA-N 2 1 262.397 2.645 10 0 CFAEMP COc1cccc(C[N@H+](C)CCC[NH2+]CC(C)C)c1 ZINC000052372908 525914310 /nfs/dbraw/zinc/91/43/10/525914310.db2.gz GINUYBSPEUGZCM-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP COc1cccc(C[N@@H+](C)CCC[NH2+]CC(C)C)c1 ZINC000052372908 525914324 /nfs/dbraw/zinc/91/43/24/525914324.db2.gz GINUYBSPEUGZCM-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546770 526256060 /nfs/dbraw/zinc/25/60/60/526256060.db2.gz IBNJAZRYTLXJIX-JQWIXIFHSA-N 2 1 253.415 2.612 10 0 CFAEMP c1cc2c(s1)CC[N@H+](CCCC[NH2+]C1CC1)C2 ZINC000052382857 526446819 /nfs/dbraw/zinc/44/68/19/526446819.db2.gz XQXKFDFGZVPTGZ-UHFFFAOYSA-N 2 1 250.411 2.638 10 0 CFAEMP CC[C@H]1CN(c2ccc([NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000083539433 536160708 /nfs/dbraw/zinc/16/07/08/536160708.db2.gz UKVYVMUCZGMWOO-HNNXBMFYSA-N 2 1 273.424 2.865 10 0 CFAEMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466980 545499676 /nfs/dbraw/zinc/49/96/76/545499676.db2.gz YOKDBQMJUITVJA-CABCVRRESA-N 2 1 266.429 2.552 10 0 CFAEMP CCCOc1ccc(C(=[NH2+])NCC[NH+](CC)CC)cc1 ZINC000002032167 560185967 /nfs/dbraw/zinc/18/59/67/560185967.db2.gz NVSIZUWNEYZNQH-UHFFFAOYSA-N 2 1 277.412 2.732 10 0 in-vitro,metabolite CFAEMP CC[C@]1(C)CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757150454 617829638 /nfs/dbraw/zinc/82/96/38/617829638.db2.gz PUWBDIQUGRTOTR-CQSZACIVSA-N 2 1 254.418 2.802 10 0 CFAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757150391 617829977 /nfs/dbraw/zinc/82/99/77/617829977.db2.gz PRASRLJKDMDUGT-HNNXBMFYSA-N 2 1 252.402 2.511 10 0 CFAEMP CCc1nc(NC[C@H]2[NH2+]CCc3ccccc32)cc(C)[nH+]1 ZINC000261628261 619181331 /nfs/dbraw/zinc/18/13/31/619181331.db2.gz HHWMOSBQFVRSJC-OAHLLOKOSA-N 2 1 282.391 2.646 10 0 CFAEMP COc1ccc([C@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261939894 619335612 /nfs/dbraw/zinc/33/56/12/619335612.db2.gz DNPXACIIDCKWBI-OAHLLOKOSA-N 2 1 288.435 2.874 10 0 CFAEMP CC1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000228536710 623148465 /nfs/dbraw/zinc/14/84/65/623148465.db2.gz QAOCKPFJSTZORK-UIEKQHFFSA-N 2 1 250.430 2.872 10 0 CFAEMP CC(C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000212592898 645424706 /nfs/dbraw/zinc/42/47/06/645424706.db2.gz OODWXUFYLRCNAY-IXDOHACOSA-N 2 1 258.409 2.895 10 0 CFAEMP CC1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000252865924 651027691 /nfs/dbraw/zinc/02/76/91/651027691.db2.gz QAOCKPFJSTZORK-XJCPWDRGSA-N 2 1 250.430 2.872 10 0 CFAEMP CC(C)[C@@H]1C[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096950607 185139399 /nfs/dbraw/zinc/13/93/99/185139399.db2.gz QWGFDMSULJILOD-DLBZAZTESA-N 2 1 258.409 2.754 10 0 CFAEMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817314 179344365 /nfs/dbraw/zinc/34/43/65/179344365.db2.gz IRLAVUZOTWZVER-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817314 179344366 /nfs/dbraw/zinc/34/43/66/179344366.db2.gz IRLAVUZOTWZVER-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(C)cc2)CC1 ZINC000086848362 179356537 /nfs/dbraw/zinc/35/65/37/179356537.db2.gz GIOVWPVGIPNSRX-QGZVFWFLSA-N 2 1 275.440 2.635 10 0 CFAEMP CCc1ccc(N(C)[C@]2(C[NH3+])CCC[N@H+](CC)CC2)cc1 ZINC000086848316 179356885 /nfs/dbraw/zinc/35/68/85/179356885.db2.gz ZSYAFCLKHBUCLG-GOSISDBHSA-N 2 1 289.467 2.889 10 0 CFAEMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2N)C[N@H+]1Cc1ccccc1 ZINC000306581257 348389925 /nfs/dbraw/zinc/38/99/25/348389925.db2.gz OMTULPYBHFTGNT-HIFRSBDPSA-N 2 1 282.391 2.739 10 0 CFAEMP COc1ccc(CC[C@@](C)(C[NH3+])[NH2+]CC(C)C)cc1 ZINC000087911675 179519216 /nfs/dbraw/zinc/51/92/16/179519216.db2.gz ZJFOOPUALITMOY-INIZCTEOSA-N 2 1 264.413 2.591 10 0 CFAEMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000037099629 282711708 /nfs/dbraw/zinc/71/17/08/282711708.db2.gz DKLXGCQVERPZNN-NWDGAFQWSA-N 2 1 264.335 2.791 10 0 CFAEMP CO[C@H]1C[N@H+](Cc2c(C)cc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630358950 355064576 /nfs/dbraw/zinc/06/45/76/355064576.db2.gz BHLHGQVNYRYBTC-NVXWUHKLSA-N 2 1 276.424 2.550 10 0 CFAEMP CO[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630358950 355064578 /nfs/dbraw/zinc/06/45/78/355064578.db2.gz BHLHGQVNYRYBTC-NVXWUHKLSA-N 2 1 276.424 2.550 10 0 CFAEMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837204 355600519 /nfs/dbraw/zinc/60/05/19/355600519.db2.gz ONMUUIGKTNQTDH-WZRBSPASSA-N 2 1 252.789 2.928 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840191 355603002 /nfs/dbraw/zinc/60/30/02/355603002.db2.gz ADXUYCXNXCKIQY-RYUDHWBXSA-N 2 1 260.406 2.928 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297668007 200257110 /nfs/dbraw/zinc/25/71/10/200257110.db2.gz OJVQBQNKKNZLQI-OAHLLOKOSA-N 2 1 288.435 2.808 10 0 CFAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000179515878 189198853 /nfs/dbraw/zinc/19/88/53/189198853.db2.gz IXDFTCSEFYIEQW-ZDUSSCGKSA-N 2 1 296.480 2.581 10 0 CFAEMP CCCc1cc(NC[C@@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000301806894 201210839 /nfs/dbraw/zinc/21/08/39/201210839.db2.gz VUUMJBFLVQOZQG-OAHLLOKOSA-N 2 1 299.418 2.930 10 0 CFAEMP CCCc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000301806894 201210842 /nfs/dbraw/zinc/21/08/42/201210842.db2.gz VUUMJBFLVQOZQG-OAHLLOKOSA-N 2 1 299.418 2.930 10 0 CFAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cc3ccccc3o1)C2 ZINC000275362983 193011036 /nfs/dbraw/zinc/01/10/36/193011036.db2.gz BGWHJXCTPGTUFT-ZDUSSCGKSA-N 2 1 281.359 2.982 10 0 CFAEMP c1cc2cccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c2[nH]1 ZINC000275438616 193037503 /nfs/dbraw/zinc/03/75/03/193037503.db2.gz FSXDSXBHAPIPNP-ZDUSSCGKSA-N 2 1 280.375 2.717 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000020189991 372234262 /nfs/dbraw/zinc/23/42/62/372234262.db2.gz HGSCDIWPUMFZGS-MRXNPFEDSA-N 2 1 274.408 2.974 10 0 CFAEMP C[N@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000111824665 375872080 /nfs/dbraw/zinc/87/20/80/375872080.db2.gz LOXIRZRWEADHRZ-ZDUSSCGKSA-N 2 1 252.789 2.914 10 0 CFAEMP C[N@@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000111824665 375872087 /nfs/dbraw/zinc/87/20/87/375872087.db2.gz LOXIRZRWEADHRZ-ZDUSSCGKSA-N 2 1 252.789 2.914 10 0 CFAEMP CCSCC[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000119286115 376385059 /nfs/dbraw/zinc/38/50/59/376385059.db2.gz RFLGVZZHPQTBMF-ZDUSSCGKSA-N 2 1 267.442 2.836 10 0 CFAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151326785 378317182 /nfs/dbraw/zinc/31/71/82/378317182.db2.gz ZDOCGFUTJDYJDL-DLBZAZTESA-N 2 1 294.414 2.713 10 0 CFAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1cc(C)nc(C2CC2)n1 ZINC000174924616 379962893 /nfs/dbraw/zinc/96/28/93/379962893.db2.gz LZXWPGFSQUHTML-LSDHHAIUSA-N 2 1 286.423 2.725 10 0 CFAEMP [NH3+][C@@H]1CCc2[nH+]c(C3CCC(F)(F)CC3)[nH]c2C1 ZINC000216985513 382785576 /nfs/dbraw/zinc/78/55/76/382785576.db2.gz UORRWYUOILETLM-SECBINFHSA-N 2 1 255.312 2.519 10 0 CFAEMP Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231458518 382864955 /nfs/dbraw/zinc/86/49/55/382864955.db2.gz GRIHFJGMJPSDJA-OAHLLOKOSA-N 2 1 250.361 2.708 10 0 CFAEMP C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000231455823 382864994 /nfs/dbraw/zinc/86/49/94/382864994.db2.gz ZIZJCFWLVDIQMN-MRXNPFEDSA-N 2 1 269.392 2.809 10 0 CFAEMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000246386908 383075281 /nfs/dbraw/zinc/07/52/81/383075281.db2.gz AMOFCJAFYYZAOF-KBMXLJTQSA-N 2 1 274.408 2.830 10 0 CFAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000246386908 383075288 /nfs/dbraw/zinc/07/52/88/383075288.db2.gz AMOFCJAFYYZAOF-KBMXLJTQSA-N 2 1 274.408 2.830 10 0 CFAEMP C[C@H](c1ccccc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247399395 383170137 /nfs/dbraw/zinc/17/01/37/383170137.db2.gz YGKRNQIXJCVJIC-JKSUJKDBSA-N 2 1 290.451 2.772 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCCO3)C2)[nH+]1 ZINC000249501050 383348184 /nfs/dbraw/zinc/34/81/84/383348184.db2.gz XEFPSNNMUMOWBB-HZPDHXFCSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)[nH+]1 ZINC000249501050 383348193 /nfs/dbraw/zinc/34/81/93/383348193.db2.gz XEFPSNNMUMOWBB-HZPDHXFCSA-N 2 1 289.423 2.693 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@H]12 ZINC000261556327 383511225 /nfs/dbraw/zinc/51/12/25/383511225.db2.gz BWTPGFPRIUFITK-LEWSCRJBSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@H]12 ZINC000261556327 383511229 /nfs/dbraw/zinc/51/12/29/383511229.db2.gz BWTPGFPRIUFITK-LEWSCRJBSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594379 383524222 /nfs/dbraw/zinc/52/42/22/383524222.db2.gz NNVFIOHJQFMVML-YJKIEOBBSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594379 383524230 /nfs/dbraw/zinc/52/42/30/383524230.db2.gz NNVFIOHJQFMVML-YJKIEOBBSA-N 2 1 266.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]12 ZINC000261598155 383525533 /nfs/dbraw/zinc/52/55/33/383525533.db2.gz ATHVUKSTIIXQLZ-VNQPRFMTSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]12 ZINC000261598155 383525536 /nfs/dbraw/zinc/52/55/36/383525536.db2.gz ATHVUKSTIIXQLZ-VNQPRFMTSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624305 383531057 /nfs/dbraw/zinc/53/10/57/383531057.db2.gz VCLIHZFMZQPKPM-DZUCGIPZSA-N 2 1 256.393 2.733 10 0 CFAEMP CCc1csc([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961738 383586790 /nfs/dbraw/zinc/58/67/90/383586790.db2.gz HJJJVDPGBCSJPS-XJKSGUPXSA-N 2 1 293.480 2.885 10 0 CFAEMP CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261964429 383587055 /nfs/dbraw/zinc/58/70/55/383587055.db2.gz PXLLBLFEAOBESN-XHSDSOJGSA-N 2 1 282.472 2.950 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262044805 383600042 /nfs/dbraw/zinc/60/00/42/383600042.db2.gz YYMJDYGJRJZIMK-XHSDSOJGSA-N 2 1 280.456 2.559 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]12 ZINC000261780949 383560168 /nfs/dbraw/zinc/56/01/68/383560168.db2.gz WXYNBPPDCXTXKF-VNQPRFMTSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]12 ZINC000261780949 383560172 /nfs/dbraw/zinc/56/01/72/383560172.db2.gz WXYNBPPDCXTXKF-VNQPRFMTSA-N 2 1 283.375 2.511 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245958038 393841332 /nfs/dbraw/zinc/84/13/32/393841332.db2.gz XQACSMCCTPLIMX-QBPKDAKJSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245958038 393841335 /nfs/dbraw/zinc/84/13/35/393841335.db2.gz XQACSMCCTPLIMX-QBPKDAKJSA-N 2 1 294.483 2.900 10 0 CFAEMP CC[C@@H]1CN(c2ccc([NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000083539431 135027836 /nfs/dbraw/zinc/02/78/36/135027836.db2.gz UKVYVMUCZGMWOO-OAHLLOKOSA-N 2 1 273.424 2.865 10 0 CFAEMP CC(C)(C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647512611 395367521 /nfs/dbraw/zinc/36/75/21/395367521.db2.gz IRJSETZHOHMZRQ-CWRNSKLLSA-N 2 1 258.409 2.633 10 0 CFAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394672154 397551055 /nfs/dbraw/zinc/55/10/55/397551055.db2.gz SYROLCSNAWKLJP-OLZOCXBDSA-N 2 1 260.372 2.873 10 0 CFAEMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000019905929 170918065 /nfs/dbraw/zinc/91/80/65/170918065.db2.gz RCRLLPXMTPBNTR-AWEZNQCLSA-N 2 1 262.397 2.688 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000020261764 171119306 /nfs/dbraw/zinc/11/93/06/171119306.db2.gz GISDSJVXMVTNGQ-TZMCWYRMSA-N 2 1 257.337 2.640 10 0 CFAEMP [NH3+]CC[C@@H](COc1ccccc1Cl)[NH+]1CCCC1 ZINC000020401983 171182147 /nfs/dbraw/zinc/18/21/47/171182147.db2.gz FNZCMUPUDLJOLC-LBPRGKRZSA-N 2 1 268.788 2.532 10 0 CFAEMP [NH3+]C1CC[NH+]([C@H](c2ccco2)c2ccccc2)CC1 ZINC000020521497 171234886 /nfs/dbraw/zinc/23/48/86/171234886.db2.gz HXKYSUCXEDUGNN-INIZCTEOSA-N 2 1 256.349 2.792 10 0 CFAEMP Cc1ccc(C[N@H+](C)[C@@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699117 172366583 /nfs/dbraw/zinc/36/65/83/172366583.db2.gz DTNZYGZWXXJESD-UKRRQHHQSA-N 2 1 250.386 2.927 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccco2)C1 ZINC000037208434 173030505 /nfs/dbraw/zinc/03/05/05/173030505.db2.gz KXKRDHXHOKKUON-KGLIPLIRSA-N 2 1 250.386 2.880 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccco2)C1 ZINC000037208434 173030508 /nfs/dbraw/zinc/03/05/08/173030508.db2.gz KXKRDHXHOKKUON-KGLIPLIRSA-N 2 1 250.386 2.880 10 0 CFAEMP C=COCCC[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000037239271 173055837 /nfs/dbraw/zinc/05/58/37/173055837.db2.gz FOQYTVSBIAWIHT-UHFFFAOYSA-N 2 1 252.402 2.557 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262033206 287287246 /nfs/dbraw/zinc/28/72/46/287287246.db2.gz XQYUGTLICXTTSD-NQNKBUKLSA-N 2 1 280.456 2.559 10 0 CFAEMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(N)cccc2C1 ZINC000038032880 174029753 /nfs/dbraw/zinc/02/97/53/174029753.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 2 1 273.424 2.501 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(N)cccc2C1 ZINC000038032880 174029755 /nfs/dbraw/zinc/02/97/55/174029755.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 2 1 273.424 2.501 10 0 CFAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032880 174029758 /nfs/dbraw/zinc/02/97/58/174029758.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 2 1 273.424 2.501 10 0 CFAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032880 174029760 /nfs/dbraw/zinc/02/97/60/174029760.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 2 1 273.424 2.501 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623438 174355737 /nfs/dbraw/zinc/35/57/37/174355737.db2.gz AMDMFDDXZLTGTQ-AAEUAGOBSA-N 2 1 267.442 2.832 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623438 174355738 /nfs/dbraw/zinc/35/57/38/174355738.db2.gz AMDMFDDXZLTGTQ-AAEUAGOBSA-N 2 1 267.442 2.832 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735915 174389144 /nfs/dbraw/zinc/38/91/44/174389144.db2.gz QHNUSNYQGXYVTC-GDBMZVCRSA-N 2 1 276.424 2.645 10 0 CFAEMP CC[N@H+](Cc1ccccc1OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747470 174392591 /nfs/dbraw/zinc/39/25/91/174392591.db2.gz BCNZIYNSPLOTGI-XYPWUTKMSA-N 2 1 274.408 2.800 10 0 CFAEMP CC[N@@H+](Cc1ccccc1OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747470 174392592 /nfs/dbraw/zinc/39/25/92/174392592.db2.gz BCNZIYNSPLOTGI-XYPWUTKMSA-N 2 1 274.408 2.800 10 0 CFAEMP CCC[N@@H+](CCCSC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747575 174392673 /nfs/dbraw/zinc/39/26/73/174392673.db2.gz ALUODILXRYBMSY-PBWFPOADSA-N 2 1 256.459 2.735 10 0 CFAEMP Cc1ccc([C@H]([NH3+])CN2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000042392805 174707412 /nfs/dbraw/zinc/70/74/12/174707412.db2.gz RKEWAIKTDCXOGP-GOSISDBHSA-N 2 1 289.467 2.577 10 0 CFAEMP Cc1cc(C)cc([C@@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000043394454 175034969 /nfs/dbraw/zinc/03/49/69/175034969.db2.gz XJTVJIBZSJQYTN-GOSISDBHSA-N 2 1 289.467 2.577 10 0 CFAEMP CCCC(C[NH3+])(CCC)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043424589 175039856 /nfs/dbraw/zinc/03/98/56/175039856.db2.gz GYBVQWOWQDRVLT-KBPBESRZSA-N 2 1 254.418 2.537 10 0 CFAEMP c1cc2c(s1)CC[N@H+](CCC[C@H]1CCC[NH2+]C1)C2 ZINC000043591721 175073820 /nfs/dbraw/zinc/07/38/20/175073820.db2.gz YVTDDOOBJBAPEC-CYBMUJFWSA-N 2 1 264.438 2.886 10 0 CFAEMP CC[N@H+](CCC(N)=[NH2+])Cc1cc(Br)cs1 ZINC000043687518 175094957 /nfs/dbraw/zinc/09/49/57/175094957.db2.gz MZHRMIJEWFAXFY-UHFFFAOYSA-N 2 1 290.230 2.659 10 0 CFAEMP CC[N@@H+](CCC(N)=[NH2+])Cc1cc(Br)cs1 ZINC000043687518 175094958 /nfs/dbraw/zinc/09/49/58/175094958.db2.gz MZHRMIJEWFAXFY-UHFFFAOYSA-N 2 1 290.230 2.659 10 0 CFAEMP CCC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000043818506 175112815 /nfs/dbraw/zinc/11/28/15/175112815.db2.gz AXSKLZUKWDKXBF-GOSISDBHSA-N 2 1 289.467 2.673 10 0 CFAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1C ZINC000043818397 175112991 /nfs/dbraw/zinc/11/29/91/175112991.db2.gz XDMKZEGDLGSJAJ-SFHVURJKSA-N 2 1 289.467 2.592 10 0 CFAEMP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818405 175113067 /nfs/dbraw/zinc/11/30/67/175113067.db2.gz AJNVEHSOZKPVDA-SJLPKXTDSA-N 2 1 289.467 2.672 10 0 CFAEMP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818411 175113183 /nfs/dbraw/zinc/11/31/83/175113183.db2.gz AJNVEHSOZKPVDA-WMZOPIPTSA-N 2 1 289.467 2.672 10 0 CFAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043818223 175113218 /nfs/dbraw/zinc/11/32/18/175113218.db2.gz JWROMHQSFLWJSE-GOSISDBHSA-N 2 1 289.467 2.708 10 0 CFAEMP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@@H+](C)CC ZINC000043820226 175113687 /nfs/dbraw/zinc/11/36/87/175113687.db2.gz FAYATGTYWCLTEX-LBPRGKRZSA-N 2 1 250.386 2.817 10 0 CFAEMP CCCC[NH+](CCCC)[C@@H]1COCC[C@@H]1[NH2+]CC ZINC000043819551 175113742 /nfs/dbraw/zinc/11/37/42/175113742.db2.gz LGTXLZOPWQUNNR-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[N@@H+](Cc1cc([C@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821579 175114555 /nfs/dbraw/zinc/11/45/55/175114555.db2.gz RVOMFDSKKNZSGW-LBPRGKRZSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[N@@H+](C)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043886004 175117041 /nfs/dbraw/zinc/11/70/41/175117041.db2.gz MVCPBNPBKOLUMO-GFCCVEGCSA-N 2 1 250.386 2.817 10 0 CFAEMP CCCCC[N@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043889408 175117811 /nfs/dbraw/zinc/11/78/11/175117811.db2.gz UGXPBRXRDNBTKJ-HOTGVXAUSA-N 2 1 298.471 2.772 10 0 CFAEMP CCCCC[N@@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043889408 175117812 /nfs/dbraw/zinc/11/78/12/175117812.db2.gz UGXPBRXRDNBTKJ-HOTGVXAUSA-N 2 1 298.471 2.772 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000043908448 175123486 /nfs/dbraw/zinc/12/34/86/175123486.db2.gz JGLMPPKRFQKUEG-CHWSQXEVSA-N 2 1 262.397 2.817 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@@H](CC)[N@H+](CC)CCOC ZINC000043968796 175129830 /nfs/dbraw/zinc/12/98/30/175129830.db2.gz JHKNYAMISYBUQO-HUUCEWRRSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@@H](CC)[N@@H+](CC)CCOC ZINC000043968796 175129832 /nfs/dbraw/zinc/12/98/32/175129832.db2.gz JHKNYAMISYBUQO-HUUCEWRRSA-N 2 1 258.450 2.902 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](CC)CCOC ZINC000043968627 175129990 /nfs/dbraw/zinc/12/99/90/175129990.db2.gz XYNKKKZAYBMGRF-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](CC)CCOC ZINC000043968627 175129992 /nfs/dbraw/zinc/12/99/92/175129992.db2.gz XYNKKKZAYBMGRF-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969441 175130389 /nfs/dbraw/zinc/13/03/89/175130389.db2.gz ZBNMFZLMSGMLHT-JONQDZQNSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969441 175130390 /nfs/dbraw/zinc/13/03/90/175130390.db2.gz ZBNMFZLMSGMLHT-JONQDZQNSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@@H](C[N@H+](CCOC)[C@@H](C)C1CC1)C(C)(C)C ZINC000043977588 175133697 /nfs/dbraw/zinc/13/36/97/175133697.db2.gz WKXPKYUPJLQYLC-ZFWWWQNUSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@@H](C[N@@H+](CCOC)[C@@H](C)C1CC1)C(C)(C)C ZINC000043977588 175133699 /nfs/dbraw/zinc/13/36/99/175133699.db2.gz WKXPKYUPJLQYLC-ZFWWWQNUSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000043977018 175133727 /nfs/dbraw/zinc/13/37/27/175133727.db2.gz YMCLIGFRARCTDS-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981316 175134417 /nfs/dbraw/zinc/13/44/17/175134417.db2.gz GUYRUDOBZJDHOF-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981316 175134418 /nfs/dbraw/zinc/13/44/18/175134418.db2.gz GUYRUDOBZJDHOF-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCOc1ccccc1[C@@H](Cn1cc[nH+]c1C)[NH2+]C ZINC000043994514 175136200 /nfs/dbraw/zinc/13/62/00/175136200.db2.gz IOZRREAZNWHSMQ-CQSZACIVSA-N 2 1 259.353 2.551 10 0 CFAEMP CCC[NH2+][C@H](Cn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000043993998 175136655 /nfs/dbraw/zinc/13/66/55/175136655.db2.gz FFXROSZEZGNGSD-MRXNPFEDSA-N 2 1 273.380 2.941 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1CC)c1ccc(OC)cc1 ZINC000044036879 175139928 /nfs/dbraw/zinc/13/99/28/175139928.db2.gz BXIQBPURLAMARI-HNNXBMFYSA-N 2 1 273.380 2.805 10 0 CFAEMP C[N@@H+]1CCC[C@@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000044535565 175198808 /nfs/dbraw/zinc/19/88/08/175198808.db2.gz IMGCUIRDITVUME-LBPRGKRZSA-N 2 1 270.380 2.571 10 0 CFAEMP C[N@H+]1CCC[C@@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000044535565 175198810 /nfs/dbraw/zinc/19/88/10/175198810.db2.gz IMGCUIRDITVUME-LBPRGKRZSA-N 2 1 270.380 2.571 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000044563653 175206577 /nfs/dbraw/zinc/20/65/77/175206577.db2.gz OFQLYUKXMLNCFX-SNVBAGLBSA-N 2 1 278.787 2.756 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]CCC[NH+](CC)CC)c1C ZINC000045167549 175319174 /nfs/dbraw/zinc/31/91/74/175319174.db2.gz GONUIOOHZXRVEK-ZDUSSCGKSA-N 2 1 280.460 2.902 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000045172723 175321714 /nfs/dbraw/zinc/32/17/14/175321714.db2.gz WMLVKSTUXSZHAG-WFASDCNBSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000045172723 175321716 /nfs/dbraw/zinc/32/17/16/175321716.db2.gz WMLVKSTUXSZHAG-WFASDCNBSA-N 2 1 278.444 2.512 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379157 175367932 /nfs/dbraw/zinc/36/79/32/175367932.db2.gz IZIWEJUZFDNTDP-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379157 175367934 /nfs/dbraw/zinc/36/79/34/175367934.db2.gz IZIWEJUZFDNTDP-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384729 175372055 /nfs/dbraw/zinc/37/20/55/175372055.db2.gz JZLRKWPSSHAYDH-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384729 175372056 /nfs/dbraw/zinc/37/20/56/175372056.db2.gz JZLRKWPSSHAYDH-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045388027 175373726 /nfs/dbraw/zinc/37/37/26/175373726.db2.gz GNZLVILICTWHKN-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045388164 175373936 /nfs/dbraw/zinc/37/39/36/175373936.db2.gz JRZIRAHWEGGAJE-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045388164 175373937 /nfs/dbraw/zinc/37/39/37/175373937.db2.gz JRZIRAHWEGGAJE-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045391649 175374390 /nfs/dbraw/zinc/37/43/90/175374390.db2.gz AEKTVJHIVLZEMV-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC(CC)[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045391649 175374391 /nfs/dbraw/zinc/37/43/91/175374391.db2.gz AEKTVJHIVLZEMV-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C ZINC000045421022 175379507 /nfs/dbraw/zinc/37/95/07/175379507.db2.gz OMNUDHPWLGTPFU-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C ZINC000045421022 175379509 /nfs/dbraw/zinc/37/95/09/175379509.db2.gz OMNUDHPWLGTPFU-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP CCCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421735 175380549 /nfs/dbraw/zinc/38/05/49/175380549.db2.gz YAYXBRHBFBAXAD-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421735 175380551 /nfs/dbraw/zinc/38/05/51/175380551.db2.gz YAYXBRHBFBAXAD-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP C[C@H](Cc1cccs1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271965 176104864 /nfs/dbraw/zinc/10/48/64/176104864.db2.gz DEGGCTBWVLNLRG-ODWCKFRGSA-N 2 1 250.411 2.633 10 0 CFAEMP C[N@@H+](CCNC1=[NH+]C2(CCCC2)CS1)C1CCCC1 ZINC000071377744 176142796 /nfs/dbraw/zinc/14/27/96/176142796.db2.gz GXMWOQSRQKPFKK-UHFFFAOYSA-N 2 1 281.469 2.866 10 0 CFAEMP C[C@@H]1C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000071402079 176153714 /nfs/dbraw/zinc/15/37/14/176153714.db2.gz NKPQCEHGFGYAMR-ZBFHGGJFSA-N 2 1 262.397 2.577 10 0 CFAEMP C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000071401682 176153808 /nfs/dbraw/zinc/15/38/08/176153808.db2.gz FSJKCCFUIULELL-HUUCEWRRSA-N 2 1 264.438 2.904 10 0 CFAEMP C[C@@H]([NH3+])[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390686223 262240754 /nfs/dbraw/zinc/24/07/54/262240754.db2.gz YAPZCXHTYXLPFD-ODLRDIKDSA-N 2 1 287.451 2.507 10 0 CFAEMP Cc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000311974465 270289232 /nfs/dbraw/zinc/28/92/32/270289232.db2.gz LMSMJIVNCRLIQU-KBRIMQKVSA-N 2 1 258.409 2.899 10 0 CFAEMP Clc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1Cl ZINC000398343865 270322150 /nfs/dbraw/zinc/32/21/50/270322150.db2.gz FPYMZCIAMBCIHD-SECBINFHSA-N 2 1 259.180 2.693 10 0 CFAEMP C[NH+]1CCC([N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000032598306 277027107 /nfs/dbraw/zinc/02/71/07/277027107.db2.gz UHDZCYDSHIGQCV-OAHLLOKOSA-N 2 1 250.430 2.983 10 0 CFAEMP C[NH+]1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000032598306 277027109 /nfs/dbraw/zinc/02/71/09/277027109.db2.gz UHDZCYDSHIGQCV-OAHLLOKOSA-N 2 1 250.430 2.983 10 0 CFAEMP 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CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)COCC ZINC000054602833 519907887 /nfs/dbraw/zinc/90/78/87/519907887.db2.gz VWFVAUDQAOXOFB-HNSVSWJLSA-N 2 1 268.445 2.797 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C(C)(C)CC)O1 ZINC000069448468 519924650 /nfs/dbraw/zinc/92/46/50/519924650.db2.gz QJRQVBCXCJGVCE-UONOGXRCSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(C)o2)O1 ZINC000052455895 519925166 /nfs/dbraw/zinc/92/51/66/519925166.db2.gz NDVIVAZXUOPQMO-GOEBONIOSA-N 2 1 280.412 2.567 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382918 519930891 /nfs/dbraw/zinc/93/08/91/519930891.db2.gz GWUZHTMYFUUFCV-LBPRGKRZSA-N 2 1 252.427 2.742 10 0 CFAEMP CCC[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382918 519930896 /nfs/dbraw/zinc/93/08/96/519930896.db2.gz GWUZHTMYFUUFCV-LBPRGKRZSA-N 2 1 252.427 2.742 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)[C@@H](C)CC)O1 ZINC000052451473 519936683 /nfs/dbraw/zinc/93/66/83/519936683.db2.gz VWKWJIQBBCBVFE-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010410 519950791 /nfs/dbraw/zinc/95/07/91/519950791.db2.gz CNVILRANSLOECY-SIGVMEELSA-N 2 1 262.441 2.887 10 0 CFAEMP CCC[NH2+]Cc1cccc(OCC[N@@H+](C)CC)c1 ZINC000052446097 519955301 /nfs/dbraw/zinc/95/53/01/519955301.db2.gz JQUPOKSAZAAUKM-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CC[NH2+]C[C@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010412 519975738 /nfs/dbraw/zinc/97/57/38/519975738.db2.gz CNVILRANSLOECY-CWJHNBGESA-N 2 1 262.441 2.887 10 0 CFAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)cc1 ZINC000052503385 519996633 /nfs/dbraw/zinc/99/66/33/519996633.db2.gz DHAOUKDKXHIXGP-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1ccc(CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000052503385 519996641 /nfs/dbraw/zinc/99/66/41/519996641.db2.gz DHAOUKDKXHIXGP-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1ccoc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420571 520013917 /nfs/dbraw/zinc/01/39/17/520013917.db2.gz LOGYCMYXFRRXOU-BETUJISGSA-N 2 1 250.386 2.867 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](CC)CCOC ZINC000054555478 520217874 /nfs/dbraw/zinc/21/78/74/520217874.db2.gz HYFDNLQSRZRQKE-PMPSAXMXSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](CC)CCOC ZINC000054555478 520217879 /nfs/dbraw/zinc/21/78/79/520217879.db2.gz HYFDNLQSRZRQKE-PMPSAXMXSA-N 2 1 270.461 2.758 10 0 CFAEMP CC1(C)C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261587829 520469251 /nfs/dbraw/zinc/46/92/51/520469251.db2.gz JRXSPXVKQAFYAL-AWEZNQCLSA-N 2 1 282.815 2.778 10 0 CFAEMP CC1(C)C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261587829 520469259 /nfs/dbraw/zinc/46/92/59/520469259.db2.gz JRXSPXVKQAFYAL-AWEZNQCLSA-N 2 1 282.815 2.778 10 0 CFAEMP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)CC(C)C ZINC000052449678 521290561 /nfs/dbraw/zinc/29/05/61/521290561.db2.gz VTYYWELRPZPOEO-UHFFFAOYSA-N 2 1 267.417 2.898 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429391 521309457 /nfs/dbraw/zinc/30/94/57/521309457.db2.gz NLPHNDLERPUERQ-LBPRGKRZSA-N 2 1 277.412 2.593 10 0 CFAEMP CCC[N@@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052444496 521484250 /nfs/dbraw/zinc/48/42/50/521484250.db2.gz XFONLPUEDFTQHS-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[N@@H+]1CCC[C@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000049220565 521651101 /nfs/dbraw/zinc/65/11/01/521651101.db2.gz VAKCKGQJQBHGHD-NSHDSACASA-N 2 1 278.787 2.929 10 0 CFAEMP CC[N@H+]1CCC[C@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000049220565 521651104 /nfs/dbraw/zinc/65/11/04/521651104.db2.gz VAKCKGQJQBHGHD-NSHDSACASA-N 2 1 278.787 2.929 10 0 CFAEMP CCCn1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000233384013 521655703 /nfs/dbraw/zinc/65/57/03/521655703.db2.gz ZDXHVFJTQLWFCH-UHFFFAOYSA-N 2 1 251.418 2.718 10 0 CFAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1ccsc1 ZINC000054629405 521955387 /nfs/dbraw/zinc/95/53/87/521955387.db2.gz VZBRQHIWLRNSKU-JZIBPQBNSA-N 2 1 264.438 2.894 10 0 CFAEMP C[NH2+]Cc1oc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000052373525 522160654 /nfs/dbraw/zinc/16/06/54/522160654.db2.gz YENPHMFHLWGXIP-YPMHNXCESA-N 2 1 250.386 2.928 10 0 CFAEMP C[N@@H+](CCSc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231668563 522926460 /nfs/dbraw/zinc/92/64/60/522926460.db2.gz RDYHRIXFNJZBLN-AWEZNQCLSA-N 2 1 264.438 2.853 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052479931 523248542 /nfs/dbraw/zinc/24/85/42/523248542.db2.gz BOEKPUJKYXGNGB-CYBMUJFWSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1CCOc1cccc(C[NH2+]C)c1 ZINC000052375119 523267696 /nfs/dbraw/zinc/26/76/96/523267696.db2.gz RBZXIWRVHBWITC-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@@H+](Cc1cccc(Cl)c1)CC1(C[NH3+])CCOCC1 ZINC000052182511 523302012 /nfs/dbraw/zinc/30/20/12/523302012.db2.gz WPYBKVNNLXPYAQ-UHFFFAOYSA-N 2 1 282.815 2.527 10 0 CFAEMP C[N@@H+](Cc1ccccc1C[NH2+]C1CC1)[C@H]1CCSC1 ZINC000052453657 523359999 /nfs/dbraw/zinc/35/99/99/523359999.db2.gz VQZBPGOPSCSOAE-INIZCTEOSA-N 2 1 276.449 2.876 10 0 CFAEMP C[N@H+](Cc1ccccc1Cl)CC1(C[NH3+])CCOCC1 ZINC000052198110 523365756 /nfs/dbraw/zinc/36/57/56/523365756.db2.gz LOERAUDDSNQODO-UHFFFAOYSA-N 2 1 282.815 2.527 10 0 CFAEMP C[N@@H+](Cc1ccccc1Cl)CC1(C[NH3+])CCOCC1 ZINC000052198110 523365763 /nfs/dbraw/zinc/36/57/63/523365763.db2.gz LOERAUDDSNQODO-UHFFFAOYSA-N 2 1 282.815 2.527 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](CCC(N)=[NH2+])CC(C)C ZINC000050704466 523810331 /nfs/dbraw/zinc/81/03/31/523810331.db2.gz MJPZHDRRUBATAU-UHFFFAOYSA-N 2 1 277.412 2.788 10 0 CFAEMP COc1ccc(C[NH3+])cc1C[NH+]1Cc2ccccc2C1 ZINC000050910800 524016702 /nfs/dbraw/zinc/01/67/02/524016702.db2.gz ASAYGRHKLURRQY-UHFFFAOYSA-N 2 1 268.360 2.670 10 0 CFAEMP Cc1ccc(C[N@@H+](C)CC2(C[NH2+]C(C)C)CCOCC2)o1 ZINC000052181546 524389821 /nfs/dbraw/zinc/38/98/21/524389821.db2.gz DOHXAQVADIDISS-UHFFFAOYSA-N 2 1 294.439 2.815 10 0 CFAEMP Cc1ccc(C[N@H+](C)CC2(C[NH2+]C(C)C)CCOCC2)o1 ZINC000052181546 524389833 /nfs/dbraw/zinc/38/98/33/524389833.db2.gz DOHXAQVADIDISS-UHFFFAOYSA-N 2 1 294.439 2.815 10 0 CFAEMP Cc1cccc(N2CC[NH+](C[C@@H](C)C[NH2+]C3CC3)CC2)c1 ZINC000052418932 524555856 /nfs/dbraw/zinc/55/58/56/524555856.db2.gz SEOFKQXFZYCSNO-INIZCTEOSA-N 2 1 287.451 2.505 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000051016716 525524478 /nfs/dbraw/zinc/52/44/78/525524478.db2.gz SCTMWUSFYFVPIG-DGCLKSJQSA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000051016716 525524489 /nfs/dbraw/zinc/52/44/89/525524489.db2.gz SCTMWUSFYFVPIG-DGCLKSJQSA-N 2 1 268.351 2.785 10 0 CFAEMP Cc1cc[nH+]c(N2CCC[C@@H](C[NH2+]CC(C)C)C2)c1 ZINC000053703181 525666993 /nfs/dbraw/zinc/66/69/93/525666993.db2.gz RLSDZLXFZJLCPR-HNNXBMFYSA-N 2 1 261.413 2.852 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151283019 525728263 /nfs/dbraw/zinc/72/82/63/525728263.db2.gz FOTZTIXICZHSLB-SJLPKXTDSA-N 2 1 290.451 2.801 10 0 CFAEMP NC(=[NH2+])c1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000050599532 526824218 /nfs/dbraw/zinc/82/42/18/526824218.db2.gz LYMZRZYVHVCTRT-QGZVFWFLSA-N 2 1 279.387 2.960 10 0 CFAEMP [NH3+]C1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000055144421 527140732 /nfs/dbraw/zinc/14/07/32/527140732.db2.gz CNPCRAYPFIYFJJ-WHXUTIOJSA-N 2 1 250.308 2.531 10 0 CFAEMP [NH3+]CCC[N@H+](CCC[NH+]1CCCC1)C1CCCCCC1 ZINC000049332095 527178837 /nfs/dbraw/zinc/17/88/37/527178837.db2.gz HUFRBZGRGCXPQN-UHFFFAOYSA-N 3 1 281.488 2.846 10 0 CFAEMP [NH3+]CCC[N@@H+](CCC[NH+]1CCCC1)C1CCCCCC1 ZINC000049332095 527178844 /nfs/dbraw/zinc/17/88/44/527178844.db2.gz HUFRBZGRGCXPQN-UHFFFAOYSA-N 3 1 281.488 2.846 10 0 CFAEMP [NH3+]Cc1ccoc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702302 527262268 /nfs/dbraw/zinc/26/22/68/527262268.db2.gz POGIJRZOZBUKOQ-INIZCTEOSA-N 2 1 286.375 2.529 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468775 574355515 /nfs/dbraw/zinc/35/55/15/574355515.db2.gz VTFNHYIZJQWSKT-USXIJHARSA-N 2 1 288.460 2.602 10 0 CFAEMP CC[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](CC)O1 ZINC000398567458 574368697 /nfs/dbraw/zinc/36/86/97/574368697.db2.gz OLSTZQLIXDVTPW-OQVBHOJDSA-N 2 1 280.456 2.797 10 0 CFAEMP [NH3+]CCCCCCNc1cc[nH+]cc1Br ZINC000236166587 618076258 /nfs/dbraw/zinc/07/62/58/618076258.db2.gz LUDQKBFXSXBEKZ-UHFFFAOYSA-N 2 1 272.190 2.775 10 0 CFAEMP [NH3+]C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000050249444 618102811 /nfs/dbraw/zinc/10/28/11/618102811.db2.gz HTNPGWRYVPQMPH-SNVBAGLBSA-N 2 1 261.756 2.673 10 0 CFAEMP CCC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399086250 619085150 /nfs/dbraw/zinc/08/51/50/619085150.db2.gz RHCWYDFKBOFEBG-KRWDZBQOSA-N 2 1 276.424 2.574 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]12 ZINC000261560297 619171526 /nfs/dbraw/zinc/17/15/26/619171526.db2.gz FFWOHQWIVPFNMH-GAJTVXKRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]12 ZINC000261560297 619171527 /nfs/dbraw/zinc/17/15/27/619171527.db2.gz FFWOHQWIVPFNMH-GAJTVXKRSA-N 2 1 268.763 2.648 10 0 CFAEMP CC(C)C/C=C(/C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC000230007891 623239807 /nfs/dbraw/zinc/23/98/07/623239807.db2.gz MIGYULBJXHQNFP-ORAMXPTRSA-N 2 1 288.435 2.510 10 0 CFAEMP CC(C)C/C=C(/C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC000230007891 623239811 /nfs/dbraw/zinc/23/98/11/623239811.db2.gz MIGYULBJXHQNFP-ORAMXPTRSA-N 2 1 288.435 2.510 10 0 CFAEMP O[C@H](CNc1cc[nH+]c2ccsc21)C[NH+]1CCCCC1 ZINC000174684731 232298896 /nfs/dbraw/zinc/29/88/96/232298896.db2.gz UQNYDAWOTTXWFQ-GFCCVEGCSA-N 2 1 291.420 2.555 10 0 CFAEMP O[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000037164649 346327832 /nfs/dbraw/zinc/32/78/32/346327832.db2.gz NEABEQRHLPTZBX-MSOLQXFVSA-N 2 1 288.435 2.544 10 0 CFAEMP CC[N@@H+]1CCO[C@@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000134479997 347897801 /nfs/dbraw/zinc/89/78/01/347897801.db2.gz UAXLMDDOZVVGHL-AWEZNQCLSA-N 2 1 285.391 2.676 10 0 CFAEMP CC[N@H+]1CCO[C@@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000134479997 347897807 /nfs/dbraw/zinc/89/78/07/347897807.db2.gz UAXLMDDOZVVGHL-AWEZNQCLSA-N 2 1 285.391 2.676 10 0 CFAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000144339281 347940671 /nfs/dbraw/zinc/94/06/71/347940671.db2.gz FWWPHZSNNVGIHV-WDMOLILDSA-N 2 1 252.789 2.898 10 0 CFAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000144339281 347940673 /nfs/dbraw/zinc/94/06/73/347940673.db2.gz FWWPHZSNNVGIHV-WDMOLILDSA-N 2 1 252.789 2.898 10 0 CFAEMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000171050887 348067979 /nfs/dbraw/zinc/06/79/79/348067979.db2.gz HKYHFRUGRQFQJA-XSVZSIDJSA-N 2 1 288.435 2.526 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817847 179345838 /nfs/dbraw/zinc/34/58/38/179345838.db2.gz HSXGSFQCWSJHSZ-JSGCOSHPSA-N 2 1 276.380 2.550 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC000086818631 179346606 /nfs/dbraw/zinc/34/66/06/179346606.db2.gz CYCIRGFMGFTKAD-QWHCGFSZSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818631 179346608 /nfs/dbraw/zinc/34/66/08/179346608.db2.gz CYCIRGFMGFTKAD-QWHCGFSZSA-N 2 1 250.361 2.961 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)CC(C)C)CC1 ZINC000086846862 179356041 /nfs/dbraw/zinc/35/60/41/179356041.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](CC)CC(C)C)CC1 ZINC000086846862 179356042 /nfs/dbraw/zinc/35/60/42/179356042.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](CC)CC(C)C)CC1 ZINC000086846862 179356045 /nfs/dbraw/zinc/35/60/45/179356045.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846862 179356047 /nfs/dbraw/zinc/35/60/47/179356047.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846862 179356050 /nfs/dbraw/zinc/35/60/50/179356050.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP CC(C)CN(C(C)C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848105 179356435 /nfs/dbraw/zinc/35/64/35/179356435.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[N@H+](C(C)C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848105 179356437 /nfs/dbraw/zinc/35/64/37/179356437.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[N@@H+](C(C)C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848105 179356438 /nfs/dbraw/zinc/35/64/38/179356438.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[NH+](C(C)C)[C@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848105 179356439 /nfs/dbraw/zinc/35/64/39/179356439.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[NH+](C(C)C)[C@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848105 179356441 /nfs/dbraw/zinc/35/64/41/179356441.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 1 283.504 2.945 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357044 /nfs/dbraw/zinc/35/70/44/179357044.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357047 /nfs/dbraw/zinc/35/70/47/179357047.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357050 /nfs/dbraw/zinc/35/70/50/179357050.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357051 /nfs/dbraw/zinc/35/70/51/179357051.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357053 /nfs/dbraw/zinc/35/70/53/179357053.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 1 283.504 2.946 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848516 179357111 /nfs/dbraw/zinc/35/71/11/179357111.db2.gz VKMWYRYEBTVDJR-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000086845024 179354861 /nfs/dbraw/zinc/35/48/61/179354861.db2.gz CKRMDGYHEZUZJA-HNNXBMFYSA-N 2 1 292.423 2.668 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000086845024 179354863 /nfs/dbraw/zinc/35/48/63/179354863.db2.gz CKRMDGYHEZUZJA-HNNXBMFYSA-N 2 1 292.423 2.668 10 0 CFAEMP N[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225918427 348180477 /nfs/dbraw/zinc/18/04/77/348180477.db2.gz QGTKUBTUMAIBIK-OALUTQOASA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@@]12C[N@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225918427 348180482 /nfs/dbraw/zinc/18/04/82/348180482.db2.gz QGTKUBTUMAIBIK-OALUTQOASA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225918427 348180485 /nfs/dbraw/zinc/18/04/85/348180485.db2.gz QGTKUBTUMAIBIK-OALUTQOASA-N 2 1 278.399 2.930 10 0 CFAEMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000401747804 348579111 /nfs/dbraw/zinc/57/91/11/348579111.db2.gz LMMMCMQFZOEKGP-NWDGAFQWSA-N 2 1 275.318 2.673 10 0 CFAEMP [NH3+][C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000090684669 180023657 /nfs/dbraw/zinc/02/36/57/180023657.db2.gz BDQDKBPLBHUDPT-KRWDZBQOSA-N 2 1 266.388 2.852 10 0 CFAEMP [NH3+][C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000090684669 180023659 /nfs/dbraw/zinc/02/36/59/180023659.db2.gz BDQDKBPLBHUDPT-KRWDZBQOSA-N 2 1 266.388 2.852 10 0 CFAEMP [NH3+][C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000090684672 180023965 /nfs/dbraw/zinc/02/39/65/180023965.db2.gz BDQDKBPLBHUDPT-QGZVFWFLSA-N 2 1 266.388 2.852 10 0 CFAEMP [NH3+][C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000090684672 180023967 /nfs/dbraw/zinc/02/39/67/180023967.db2.gz BDQDKBPLBHUDPT-QGZVFWFLSA-N 2 1 266.388 2.852 10 0 CFAEMP CO[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630358949 355064665 /nfs/dbraw/zinc/06/46/65/355064665.db2.gz BHLHGQVNYRYBTC-DOTOQJQBSA-N 2 1 276.424 2.550 10 0 CFAEMP CO[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630358949 355064666 /nfs/dbraw/zinc/06/46/66/355064666.db2.gz BHLHGQVNYRYBTC-DOTOQJQBSA-N 2 1 276.424 2.550 10 0 CFAEMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1C(F)(F)F ZINC000630528793 355104242 /nfs/dbraw/zinc/10/42/42/355104242.db2.gz NAWGXDNVRQRVFH-RKDXNWHRSA-N 2 1 293.720 2.699 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842269 355604017 /nfs/dbraw/zinc/60/40/17/355604017.db2.gz XWNNZTTVLCJZFI-ZFWWWQNUSA-N 2 1 262.397 2.500 10 0 CFAEMP O[C@H](C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976712 189158840 /nfs/dbraw/zinc/15/88/40/189158840.db2.gz JENLJUSTXVBCGO-QZTJIDSGSA-N 2 1 288.435 2.574 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000011848604 371931039 /nfs/dbraw/zinc/93/10/39/371931039.db2.gz NRTXGGZTTFKATD-LBPRGKRZSA-N 2 1 280.169 2.654 10 0 CFAEMP [NH3+]CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000019721380 372180483 /nfs/dbraw/zinc/18/04/83/372180483.db2.gz NSDIHVLJRYAIIA-UHFFFAOYSA-N 2 1 280.169 2.758 10 0 CFAEMP [NH3+][C@H](c1ccccc1)c1cccc(CC[NH+]2CCOCC2)c1 ZINC000029405884 372379137 /nfs/dbraw/zinc/37/91/37/372379137.db2.gz IQLGZGZESASNRC-LJQANCHMSA-N 2 1 296.414 2.609 10 0 CFAEMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128701484 377353411 /nfs/dbraw/zinc/35/34/11/377353411.db2.gz SNSFWSIIXAYPGV-KYJSFNMBSA-N 2 1 287.451 2.504 10 0 CFAEMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128701484 377353413 /nfs/dbraw/zinc/35/34/13/377353413.db2.gz SNSFWSIIXAYPGV-KYJSFNMBSA-N 2 1 287.451 2.504 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3cccnc3)C2)n1 ZINC000172159046 379505678 /nfs/dbraw/zinc/50/56/78/379505678.db2.gz VGQXKQNPXIVENF-QGZVFWFLSA-N 2 1 296.418 2.762 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3cccnc3)C2)[nH+]1 ZINC000172159046 379505685 /nfs/dbraw/zinc/50/56/85/379505685.db2.gz VGQXKQNPXIVENF-QGZVFWFLSA-N 2 1 296.418 2.762 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3cccnc3)C2)[nH+]1 ZINC000172159046 379505691 /nfs/dbraw/zinc/50/56/91/379505691.db2.gz VGQXKQNPXIVENF-QGZVFWFLSA-N 2 1 296.418 2.762 10 0 CFAEMP Cc1cc[nH+]c(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000335604748 379592314 /nfs/dbraw/zinc/59/23/14/379592314.db2.gz RBPLPZFHHZJFQU-CVEARBPZSA-N 2 1 267.376 2.569 10 0 CFAEMP Cc1oncc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000181712848 380872388 /nfs/dbraw/zinc/87/23/88/380872388.db2.gz BJZGEDPUESKIMA-AWEZNQCLSA-N 2 1 286.379 2.620 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000400420795 380859045 /nfs/dbraw/zinc/85/90/45/380859045.db2.gz WUVVIUMKWJTHOX-WOPDTQHZSA-N 2 1 252.789 2.989 10 0 CFAEMP C[C@@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420793 380860217 /nfs/dbraw/zinc/86/02/17/380860217.db2.gz WUVVIUMKWJTHOX-UTUOFQBUSA-N 2 1 252.789 2.989 10 0 CFAEMP C[C@H]1[C@@H](NC2=[NH+]CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000306952036 382462544 /nfs/dbraw/zinc/46/25/44/382462544.db2.gz CRCVCAWRDWBLJY-HOCLYGCPSA-N 2 1 271.408 2.821 10 0 CFAEMP C[C@H]1[C@@H](NC2=[NH+]CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000306952036 382462546 /nfs/dbraw/zinc/46/25/46/382462546.db2.gz CRCVCAWRDWBLJY-HOCLYGCPSA-N 2 1 271.408 2.821 10 0 CFAEMP CC(C)CC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190821864 382681536 /nfs/dbraw/zinc/68/15/36/382681536.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190821864 382681537 /nfs/dbraw/zinc/68/15/37/382681537.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190821864 382681539 /nfs/dbraw/zinc/68/15/39/382681539.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190821864 382681540 /nfs/dbraw/zinc/68/15/40/382681540.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190821864 382681542 /nfs/dbraw/zinc/68/15/42/382681542.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 1 275.440 2.881 10 0 CFAEMP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)nc1 ZINC000193854882 382727165 /nfs/dbraw/zinc/72/71/65/382727165.db2.gz OTFJFODSKQDXRT-CABCVRRESA-N 2 1 273.380 2.508 10 0 CFAEMP C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231457447 382864785 /nfs/dbraw/zinc/86/47/85/382864785.db2.gz NUWLTLFOGLFDOE-LBPRGKRZSA-N 2 1 254.324 2.539 10 0 CFAEMP C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231457447 382864786 /nfs/dbraw/zinc/86/47/86/382864786.db2.gz NUWLTLFOGLFDOE-LBPRGKRZSA-N 2 1 254.324 2.539 10 0 CFAEMP Cc1ccc2cc(C[N@@H+]3C[C@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999071 383455685 /nfs/dbraw/zinc/45/56/85/383455685.db2.gz PQAZIMRLKYRUFE-LRDDRELGSA-N 2 1 269.392 2.570 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]12 ZINC000261544070 383508594 /nfs/dbraw/zinc/50/85/94/383508594.db2.gz DOMIDBLGXCYVRU-KWCYVHTRSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]12 ZINC000261544070 383508601 /nfs/dbraw/zinc/50/86/01/383508601.db2.gz DOMIDBLGXCYVRU-KWCYVHTRSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3Br)C[C@H]12 ZINC000261552687 383509977 /nfs/dbraw/zinc/50/99/77/383509977.db2.gz NFMXZOMVDPQOOD-SCDSUCTJSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]12 ZINC000261552687 383509979 /nfs/dbraw/zinc/50/99/79/383509979.db2.gz NFMXZOMVDPQOOD-SCDSUCTJSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000261555849 383511407 /nfs/dbraw/zinc/51/14/07/383511407.db2.gz QCUQLSRHUOTVHG-ZKYQVNSYSA-N 2 1 250.773 2.509 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261574216 383516838 /nfs/dbraw/zinc/51/68/38/383516838.db2.gz MOBSRLPMNQBCKL-CFVMTHIKSA-N 2 1 264.800 2.818 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261579411 383518910 /nfs/dbraw/zinc/51/89/10/383518910.db2.gz DUPUPBJMRPMZRX-XIRDDKMYSA-N 2 1 258.409 2.781 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]12 ZINC000261585623 383520705 /nfs/dbraw/zinc/52/07/05/383520705.db2.gz TYECUIZXRZMLNE-DUFXMDAXSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]12 ZINC000261585623 383520712 /nfs/dbraw/zinc/52/07/12/383520712.db2.gz TYECUIZXRZMLNE-DUFXMDAXSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]12 ZINC000261585626 383521488 /nfs/dbraw/zinc/52/14/88/383521488.db2.gz TYECUIZXRZMLNE-MRCXROJRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]12 ZINC000261585626 383521490 /nfs/dbraw/zinc/52/14/90/383521490.db2.gz TYECUIZXRZMLNE-MRCXROJRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261650332 383537588 /nfs/dbraw/zinc/53/75/88/383537588.db2.gz GHFDKBJVEWDORM-MOPGFXCFSA-N 2 1 280.415 2.903 10 0 CFAEMP CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261919664 383580700 /nfs/dbraw/zinc/58/07/00/383580700.db2.gz KEAGDIBXYAEJLM-XHSDSOJGSA-N 2 1 282.472 2.805 10 0 CFAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262050289 383599809 /nfs/dbraw/zinc/59/98/09/383599809.db2.gz ZNTHOUOTADAWTR-VYDXJSESSA-N 2 1 273.424 2.682 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262044799 383600086 /nfs/dbraw/zinc/60/00/86/383600086.db2.gz YYMJDYGJRJZIMK-BZUAXINKSA-N 2 1 280.456 2.559 10 0 CFAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381576500 393564267 /nfs/dbraw/zinc/56/42/67/393564267.db2.gz IQVUQDPNRRFWRO-RWMBFGLXSA-N 2 1 260.372 2.871 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000045171439 393569100 /nfs/dbraw/zinc/56/91/00/393569100.db2.gz IBMUHBJZCRLPCM-SWLSCSKDSA-N 2 1 290.455 2.655 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000245594674 393818794 /nfs/dbraw/zinc/81/87/94/393818794.db2.gz ICVBDFXYPXYUII-XYJFISCASA-N 2 1 296.499 2.837 10 0 CFAEMP CC[NH+](CC)c1ccc(N2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC000083545961 135028944 /nfs/dbraw/zinc/02/89/44/135028944.db2.gz QFUDTJXYCPTBTK-KRWDZBQOSA-N 2 1 275.440 2.967 10 0 CFAEMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034507 286333421 /nfs/dbraw/zinc/33/34/21/286333421.db2.gz OKNWPXKSTDQONM-ARFHVFGLSA-N 2 1 280.456 2.656 10 0 CFAEMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261780831 287153726 /nfs/dbraw/zinc/15/37/26/287153726.db2.gz PKNOWOPAXOGEND-UAGQMJEPSA-N 2 1 281.403 2.817 10 0 CFAEMP C[N@@H+](CCC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000022216988 171375652 /nfs/dbraw/zinc/37/56/52/171375652.db2.gz KMDMDHZHUNWWIW-UHFFFAOYSA-N 2 1 289.423 2.738 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000022565187 171392023 /nfs/dbraw/zinc/39/20/23/171392023.db2.gz KBRNGRHVBALHDB-DQGBIZLVSA-N 2 1 259.397 2.735 10 0 CFAEMP [NH3+]C[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731337 172381279 /nfs/dbraw/zinc/38/12/79/172381279.db2.gz TZORIVMQWQYMKU-SFHVURJKSA-N 2 1 266.388 2.787 10 0 CFAEMP COc1cccc(C[N@@H+](CCC[NH3+])C2CCCC2)c1 ZINC000037299648 173104554 /nfs/dbraw/zinc/10/45/54/173104554.db2.gz AWUUDTIZVZNRDT-UHFFFAOYSA-N 2 1 262.397 2.789 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)oc2C)C1 ZINC000040593181 174347401 /nfs/dbraw/zinc/34/74/01/174347401.db2.gz LGAPEYLXWSUFOZ-GXTWGEPZSA-N 2 1 250.386 2.889 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000040621503 174354732 /nfs/dbraw/zinc/35/47/32/174354732.db2.gz HLXNLOZHPFUONW-KGLIPLIRSA-N 2 1 250.386 2.969 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621503 174354734 /nfs/dbraw/zinc/35/47/34/174354734.db2.gz HLXNLOZHPFUONW-KGLIPLIRSA-N 2 1 250.386 2.969 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622204 174354951 /nfs/dbraw/zinc/35/49/51/174354951.db2.gz IJGDNXORJXBUFT-QGZVFWFLSA-N 2 1 260.425 2.939 10 0 CFAEMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1O ZINC000040746590 174392080 /nfs/dbraw/zinc/39/20/80/174392080.db2.gz VIXUPERFGCEVHF-XYPWUTKMSA-N 2 1 274.408 2.724 10 0 CFAEMP CC[N@@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747492 174392663 /nfs/dbraw/zinc/39/26/63/174392663.db2.gz ZTUCFPRIHVUEPO-FUNVUKJBSA-N 2 1 250.411 2.853 10 0 CFAEMP CC[N@@H+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747431 174392676 /nfs/dbraw/zinc/39/26/76/174392676.db2.gz LYBWZRJTQGKFHZ-PBWFPOADSA-N 2 1 250.411 2.853 10 0 CFAEMP CCC[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747626 174392818 /nfs/dbraw/zinc/39/28/18/174392818.db2.gz WUTVHTWTMCQRMJ-XYPWUTKMSA-N 2 1 259.397 2.577 10 0 CFAEMP CCCN(c1ccc(C)c[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748869 174393856 /nfs/dbraw/zinc/39/38/56/174393856.db2.gz BWDRISCOEKKPRO-YIONKMFJSA-N 2 1 259.397 2.889 10 0 CFAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000040769314 174399393 /nfs/dbraw/zinc/39/93/93/174399393.db2.gz AWOLYJOUSKVJRB-PMRDEQMMSA-N 2 1 280.456 2.512 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1ccncc1)n1cc[nH+]c1C(C)C ZINC000043354955 175023057 /nfs/dbraw/zinc/02/30/57/175023057.db2.gz WAWDRJFUJWDPTF-UONOGXRCSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@@H](N)[C@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364997 175026241 /nfs/dbraw/zinc/02/62/41/175026241.db2.gz LLXWIIGKFWUQCD-NVXWUHKLSA-N 2 1 293.455 2.640 10 0 CFAEMP [NH3+]CC1([N@H+]2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424911 175039989 /nfs/dbraw/zinc/03/99/89/175039989.db2.gz MRHXOJUKLDSVNB-LSDHHAIUSA-N 2 1 266.429 2.682 10 0 CFAEMP COc1ccccc1C[N@@H+](CCC[NH3+])CC(C)C ZINC000043457238 175049940 /nfs/dbraw/zinc/04/99/40/175049940.db2.gz IVCHNLRJICCOCC-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000043591876 175073749 /nfs/dbraw/zinc/07/37/49/175073749.db2.gz WDOZJVARNADBFP-ZDUSSCGKSA-N 2 1 252.427 2.960 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810292 175109658 /nfs/dbraw/zinc/10/96/58/175109658.db2.gz UDKVCMQUXRIQRA-HRCADAONSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810292 175109659 /nfs/dbraw/zinc/10/96/59/175109659.db2.gz UDKVCMQUXRIQRA-HRCADAONSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CCC)C1CC1)OCCO2 ZINC000043885744 175116965 /nfs/dbraw/zinc/11/69/65/175116965.db2.gz UHETWDIEAOMZKH-HZPDHXFCSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CCC)C1CC1)OCCO2 ZINC000043885744 175116966 /nfs/dbraw/zinc/11/69/66/175116966.db2.gz UHETWDIEAOMZKH-HZPDHXFCSA-N 2 1 296.455 2.525 10 0 CFAEMP CC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911638 175123895 /nfs/dbraw/zinc/12/38/95/175123895.db2.gz QDVRQSCSDICBSN-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911638 175123896 /nfs/dbraw/zinc/12/38/96/175123896.db2.gz QDVRQSCSDICBSN-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+](C)[C@@H](C)COC ZINC000043969149 175130566 /nfs/dbraw/zinc/13/05/66/175130566.db2.gz KXQRHFOWMLIIJP-UONOGXRCSA-N 2 1 294.439 2.832 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969192 175130579 /nfs/dbraw/zinc/13/05/79/175130579.db2.gz ATBKFLJCWINLEL-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969192 175130581 /nfs/dbraw/zinc/13/05/81/175130581.db2.gz ATBKFLJCWINLEL-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970773 175131721 /nfs/dbraw/zinc/13/17/21/175131721.db2.gz HYDQDFWHAKGTNM-ROUUACIJSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](CCCOC)CCOC ZINC000043971017 175131870 /nfs/dbraw/zinc/13/18/70/175131870.db2.gz RMKSYWLYCWWAHN-JKSUJKDBSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCCOC)CCOC ZINC000043971017 175131871 /nfs/dbraw/zinc/13/18/71/175131871.db2.gz RMKSYWLYCWWAHN-JKSUJKDBSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000043973440 175133109 /nfs/dbraw/zinc/13/31/09/175133109.db2.gz WHBWEYXLGHGVEO-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973440 175133110 /nfs/dbraw/zinc/13/31/10/175133110.db2.gz WHBWEYXLGHGVEO-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981899 175134372 /nfs/dbraw/zinc/13/43/72/175134372.db2.gz HMKSVVXHXZHBKK-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981899 175134374 /nfs/dbraw/zinc/13/43/74/175134374.db2.gz HMKSVVXHXZHBKK-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OC)c(Cn2cc[nH+]c2C)c1 ZINC000043993862 175136168 /nfs/dbraw/zinc/13/61/68/175136168.db2.gz AYDAAJWMOHOKOG-GFCCVEGCSA-N 2 1 273.380 2.919 10 0 CFAEMP CC[C@H]([C@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044133025 175145444 /nfs/dbraw/zinc/14/54/44/175145444.db2.gz PYVHIOUBRDROGJ-IAGOWNOFSA-N 2 1 276.424 2.525 10 0 CFAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044675282 175227031 /nfs/dbraw/zinc/22/70/31/175227031.db2.gz LVRCQABQDJYNTE-PEHHYFEISA-N 2 1 258.409 2.861 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747330 175243290 /nfs/dbraw/zinc/24/32/90/175243290.db2.gz FBPSHUPMWPDWEY-UGSOOPFHSA-N 2 1 286.419 2.844 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067064 175300396 /nfs/dbraw/zinc/30/03/96/175300396.db2.gz ZUCAUGAONHWLKF-BRWVUGGUSA-N 2 1 290.455 2.853 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067064 175300398 /nfs/dbraw/zinc/30/03/98/175300398.db2.gz ZUCAUGAONHWLKF-BRWVUGGUSA-N 2 1 290.455 2.853 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073393 175302396 /nfs/dbraw/zinc/30/23/96/175302396.db2.gz DCWOCMPKBJMCPL-ZACQAIPSSA-N 2 1 280.456 2.798 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1C ZINC000045167177 175319561 /nfs/dbraw/zinc/31/95/61/175319561.db2.gz RNDPVFKNGHMQJZ-GFCCVEGCSA-N 2 1 280.460 2.758 10 0 CFAEMP CCCC[NH+](CCCC)CC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045263360 175337657 /nfs/dbraw/zinc/33/76/57/175337657.db2.gz YLZUQRGPYJTHBW-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000045282672 175353348 /nfs/dbraw/zinc/35/33/48/175353348.db2.gz CJDKHDQCTMFNAX-GOEBONIOSA-N 2 1 285.476 2.519 10 0 CFAEMP CCCC[N@@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000045282672 175353349 /nfs/dbraw/zinc/35/33/49/175353349.db2.gz CJDKHDQCTMFNAX-GOEBONIOSA-N 2 1 285.476 2.519 10 0 CFAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045372467 175365178 /nfs/dbraw/zinc/36/51/78/175365178.db2.gz CRMZXNVJORGOBH-QGZVFWFLSA-N 2 1 297.487 2.663 10 0 CFAEMP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045378518 175367529 /nfs/dbraw/zinc/36/75/29/175367529.db2.gz BRDZNTFCDBWCGR-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH+](CCC)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045378614 175367748 /nfs/dbraw/zinc/36/77/48/175367748.db2.gz JPOJYCCSNBMWGC-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379092 175368397 /nfs/dbraw/zinc/36/83/97/175368397.db2.gz NRLQDYFDMFBYAP-QGZVFWFLSA-N 2 1 297.487 2.665 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383866 175370971 /nfs/dbraw/zinc/37/09/71/175370971.db2.gz ZMGLMPFHAWAHOJ-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383866 175370973 /nfs/dbraw/zinc/37/09/73/175370973.db2.gz ZMGLMPFHAWAHOJ-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385815 175371712 /nfs/dbraw/zinc/37/17/12/175371712.db2.gz IVTFHGCZKAOLDZ-HNNXBMFYSA-N 2 1 272.433 2.558 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386374 175372892 /nfs/dbraw/zinc/37/28/92/175372892.db2.gz RGDQKHVYQWRBGE-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386374 175372893 /nfs/dbraw/zinc/37/28/93/175372893.db2.gz RGDQKHVYQWRBGE-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CCC)C(=O)OCC ZINC000045387106 175373335 /nfs/dbraw/zinc/37/33/35/175373335.db2.gz CHJQMFJIKCDCDQ-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CCC)C(=O)OCC ZINC000045387106 175373336 /nfs/dbraw/zinc/37/33/36/175373336.db2.gz CHJQMFJIKCDCDQ-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391437 175374974 /nfs/dbraw/zinc/37/49/74/175374974.db2.gz WEEKYHAXDRIOTA-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391437 175374976 /nfs/dbraw/zinc/37/49/76/175374976.db2.gz WEEKYHAXDRIOTA-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392154 175375597 /nfs/dbraw/zinc/37/55/97/175375597.db2.gz KJNQVRHDICZMGJ-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392154 175375598 /nfs/dbraw/zinc/37/55/98/175375598.db2.gz KJNQVRHDICZMGJ-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391982 175375685 /nfs/dbraw/zinc/37/56/85/175375685.db2.gz YVAFWVNMBNCQON-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391982 175375686 /nfs/dbraw/zinc/37/56/86/175375686.db2.gz YVAFWVNMBNCQON-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CCC)C(N)=O ZINC000045394690 175376067 /nfs/dbraw/zinc/37/60/67/175376067.db2.gz UMTBFAKLEQKJRW-HOCLYGCPSA-N 2 1 285.476 2.521 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045419145 175377255 /nfs/dbraw/zinc/37/72/55/175377255.db2.gz ONVBASFMPIZIFS-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP CCCC[N@@H+](CCCC[C@](C)([NH2+]CCC)C(N)=O)C1CC1 ZINC000045421745 175380486 /nfs/dbraw/zinc/38/04/86/175380486.db2.gz PHDDLSHDOMXVKQ-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP Cc1noc(C)c1C[NH2+]CCCC[N@H+](C)C(C)C ZINC000070141802 175873691 /nfs/dbraw/zinc/87/36/91/175873691.db2.gz LUCXTHUKJVHPHA-UHFFFAOYSA-N 2 1 253.390 2.501 10 0 CFAEMP CCOc1ccc([C@@H](C)[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142250 176039939 /nfs/dbraw/zinc/03/99/39/176039939.db2.gz KOOYYGUEZQDLIS-ZIAGYGMSSA-N 2 1 262.397 2.688 10 0 CFAEMP CC[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401942 176153881 /nfs/dbraw/zinc/15/38/81/176153881.db2.gz BDTDTDDOKNJZFY-GOEBONIOSA-N 2 1 264.413 2.823 10 0 CFAEMP CN(c1cc[nH+]c2cc(Cl)ccc21)C1CC([NH3+])C1 ZINC000395004122 270311037 /nfs/dbraw/zinc/31/10/37/270311037.db2.gz GVBAPHCJDHNGGC-UHFFFAOYSA-N 2 1 261.756 2.814 10 0 CFAEMP CC1(C)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262005584 278200900 /nfs/dbraw/zinc/20/09/00/278200900.db2.gz UYGDAGYVOMVANW-OAGGEKHMSA-N 2 1 280.456 2.702 10 0 CFAEMP CC1(C)C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000261778005 278341541 /nfs/dbraw/zinc/34/15/41/278341541.db2.gz SYRRBOLUULKDMT-GJZGRUSLSA-N 2 1 262.372 2.872 10 0 CFAEMP [NH3+]C[C@H]1c2ccccc2CCN1c1cc[nH+]cc1Cl ZINC000227724375 295276841 /nfs/dbraw/zinc/27/68/41/295276841.db2.gz KDJWPLMWFKMHRP-HNNXBMFYSA-N 2 1 273.767 2.798 10 0 CFAEMP CC[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850542 324066297 /nfs/dbraw/zinc/06/62/97/324066297.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 1 261.413 2.634 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503301 519716181 /nfs/dbraw/zinc/71/61/81/519716181.db2.gz LIXBWTGBBXJACU-HNNXBMFYSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503301 519716183 /nfs/dbraw/zinc/71/61/83/519716183.db2.gz LIXBWTGBBXJACU-HNNXBMFYSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181741 519719548 /nfs/dbraw/zinc/71/95/48/519719548.db2.gz NGGHOUSCNCRBCT-OAHLLOKOSA-N 2 1 270.461 2.758 10 0 CFAEMP CC(C)C[NH2+]CCCC[N@@H+](C)CCc1ccncc1 ZINC000052483025 519743283 /nfs/dbraw/zinc/74/32/83/519743283.db2.gz PJZFZQKDXOEBHR-UHFFFAOYSA-N 2 1 263.429 2.582 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1C[C@H](C)OC[C@H]1C ZINC000052476624 519743700 /nfs/dbraw/zinc/74/37/00/519743700.db2.gz BDLJDQYTGMMHSG-ZNMIVQPWSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)Cc2cccs2)CCOCC1 ZINC000052183451 519913287 /nfs/dbraw/zinc/91/32/87/519913287.db2.gz KSCTZJXDUXYXHU-UHFFFAOYSA-N 2 1 296.480 2.976 10 0 CFAEMP CCC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000052372053 519919985 /nfs/dbraw/zinc/91/99/85/519919985.db2.gz HWZNDLYDSZOBAV-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@@H](C(C)C)[N@H+]1CCC[C@H](OCC)C1 ZINC000052372053 519919988 /nfs/dbraw/zinc/91/99/88/519919988.db2.gz HWZNDLYDSZOBAV-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+]Cc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000052420415 520021265 /nfs/dbraw/zinc/02/12/65/520021265.db2.gz BTAFSDSULFFCGB-RYUDHWBXSA-N 2 1 267.442 2.731 10 0 CFAEMP CC[N@@H+](C)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052446099 520241511 /nfs/dbraw/zinc/24/15/11/520241511.db2.gz YNSONBJBFIFEAE-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC(C)(C)[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000069448496 521302597 /nfs/dbraw/zinc/30/25/97/521302597.db2.gz YZOSNXWDWMJLFH-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012741 519723653 /nfs/dbraw/zinc/72/36/53/519723653.db2.gz QQROGCCQLHELAX-AWEZNQCLSA-N 2 1 250.361 2.646 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012741 519723655 /nfs/dbraw/zinc/72/36/55/519723655.db2.gz QQROGCCQLHELAX-AWEZNQCLSA-N 2 1 250.361 2.646 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419174 519723876 /nfs/dbraw/zinc/72/38/76/519723876.db2.gz YXWBVOHVKNDUMR-ROUUACIJSA-N 2 1 288.435 2.590 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(OCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000052484478 519727282 /nfs/dbraw/zinc/72/72/82/519727282.db2.gz QZNWLTLLOKRNGB-OAHLLOKOSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCOC(C)(C)C1 ZINC000052481872 519743432 /nfs/dbraw/zinc/74/34/32/519743432.db2.gz HKRNADNOVTYBIG-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417358 519744349 /nfs/dbraw/zinc/74/43/49/519744349.db2.gz ODKQEJLREUAAKA-KRWDZBQOSA-N 2 1 289.467 2.833 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](C)C2)o1 ZINC000052484408 519747036 /nfs/dbraw/zinc/74/70/36/519747036.db2.gz BZHRPYAAVOHRQM-CYBMUJFWSA-N 2 1 250.386 2.867 10 0 CFAEMP CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000049183903 519909027 /nfs/dbraw/zinc/90/90/27/519909027.db2.gz AVFPLQADLUSJQW-GFCCVEGCSA-N 2 1 252.427 2.753 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197875 519909942 /nfs/dbraw/zinc/90/99/42/519909942.db2.gz YSANIYUGJYZBPY-UHFFFAOYSA-N 2 1 294.439 2.816 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197875 519909945 /nfs/dbraw/zinc/90/99/45/519909945.db2.gz YSANIYUGJYZBPY-UHFFFAOYSA-N 2 1 294.439 2.816 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197815 519910064 /nfs/dbraw/zinc/91/00/64/519910064.db2.gz WCFSZPKEYNFSNZ-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CCC[NH2+]CCCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055074422 519911640 /nfs/dbraw/zinc/91/16/40/519911640.db2.gz NMPFIFCHRNPNLF-INIZCTEOSA-N 2 1 269.477 2.572 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccc(C)cc2)CCOCC1 ZINC000052181110 519911929 /nfs/dbraw/zinc/91/19/29/519911929.db2.gz ODKOOBVZUULPKF-UHFFFAOYSA-N 2 1 290.451 2.833 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181990 519914051 /nfs/dbraw/zinc/91/40/51/519914051.db2.gz GORRTLYEMVMMCM-DLBZAZTESA-N 2 1 294.483 2.905 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCC)C(C)C)O1 ZINC000052450574 519935983 /nfs/dbraw/zinc/93/59/83/519935983.db2.gz AQZMWTMDOPDMBF-CABCVRRESA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+](C)CC ZINC000052446081 519956507 /nfs/dbraw/zinc/95/65/07/519956507.db2.gz GSFLYSJEMCOWIU-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000052444156 519999989 /nfs/dbraw/zinc/99/99/89/519999989.db2.gz UWAWIFPTAYVGIL-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000052381376 520007064 /nfs/dbraw/zinc/00/70/64/520007064.db2.gz BJJUUHCYHBDRTJ-OAHLLOKOSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@H]1C ZINC000052375842 520008611 /nfs/dbraw/zinc/00/86/11/520008611.db2.gz AHCBCYSOSNSMGC-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]Cc1coc(C[N@@H+](CCOC)[C@H](C)CC)c1 ZINC000052547371 520018278 /nfs/dbraw/zinc/01/82/78/520018278.db2.gz IKZRRSPBIYPGFR-CYBMUJFWSA-N 2 1 268.401 2.636 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371524 520284531 /nfs/dbraw/zinc/28/45/31/520284531.db2.gz NEXXTXKPNUFCIT-GJZGRUSLSA-N 2 1 270.461 2.902 10 0 CFAEMP CCCC[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052417981 520409914 /nfs/dbraw/zinc/40/99/14/520409914.db2.gz OGKLQVPJWMQWFA-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCCC[N@@H+](C)C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052418058 520416332 /nfs/dbraw/zinc/41/63/32/520416332.db2.gz LUDDCZKAEBPIDN-ZIAGYGMSSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH3+])CCOCC1)[C@@H](C)CC ZINC000052198183 520483721 /nfs/dbraw/zinc/48/37/21/520483721.db2.gz OBONYDYAASJBQA-AWEZNQCLSA-N 2 1 256.434 2.643 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C(C)C ZINC000052181324 520938306 /nfs/dbraw/zinc/93/83/06/520938306.db2.gz FNWYWARJCGAYJP-UHFFFAOYSA-N 2 1 270.461 2.759 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@](C)(C[NH2+]C)c1ccccc1 ZINC000069239877 520957695 /nfs/dbraw/zinc/95/76/95/520957695.db2.gz YWSCKIAKUYAFIC-KRWDZBQOSA-N 2 1 260.425 2.896 10 0 CFAEMP CC[N@@H+](CCOCCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049267800 521139728 /nfs/dbraw/zinc/13/97/28/521139728.db2.gz VTKXDOGICOGCPS-XYPWUTKMSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[N@@H+](CCOc1cccc(C[NH2+]C2CC2)c1)C1CC1 ZINC000052452027 521149075 /nfs/dbraw/zinc/14/90/75/521149075.db2.gz GUVHYGQWWZDHLI-UHFFFAOYSA-N 2 1 274.408 2.802 10 0 CFAEMP CC[N@@H+](Cc1cccs1)CC1(C[NH2+]C)CCOCC1 ZINC000052183465 521407698 /nfs/dbraw/zinc/40/76/98/521407698.db2.gz MBKMPHGXEHFVQH-UHFFFAOYSA-N 2 1 282.453 2.586 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197923 521966851 /nfs/dbraw/zinc/96/68/51/521966851.db2.gz BSZNRLMCGDGNLX-UHFFFAOYSA-N 2 1 268.445 2.515 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373067 522116660 /nfs/dbraw/zinc/11/66/60/522116660.db2.gz ZBSSYLSTOWWEFD-OAHLLOKOSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382224 522170339 /nfs/dbraw/zinc/17/03/39/522170339.db2.gz QDWMNPRFAUEWDF-LBPRGKRZSA-N 2 1 290.432 2.841 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382224 522170345 /nfs/dbraw/zinc/17/03/45/522170345.db2.gz QDWMNPRFAUEWDF-LBPRGKRZSA-N 2 1 290.432 2.841 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757597 522342248 /nfs/dbraw/zinc/34/22/48/522342248.db2.gz BFGUCUABWFWGMF-IPYPFGDCSA-N 2 1 282.453 2.763 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757597 522342258 /nfs/dbraw/zinc/34/22/58/522342258.db2.gz BFGUCUABWFWGMF-IPYPFGDCSA-N 2 1 282.453 2.763 10 0 CFAEMP C[NH2+][C@H](C)c1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049329490 522451763 /nfs/dbraw/zinc/45/17/63/522451763.db2.gz UIIJKEJWUBXSRQ-GFCCVEGCSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[C@@H]([NH3+])Cc1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049331377 522643097 /nfs/dbraw/zinc/64/30/97/522643097.db2.gz SBQKKFRWVHZJHE-OAHLLOKOSA-N 2 1 273.380 2.550 10 0 CFAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764583 522786896 /nfs/dbraw/zinc/78/68/96/522786896.db2.gz KDJXFMFCFLURQC-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](CCOc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669302 522917719 /nfs/dbraw/zinc/91/77/19/522917719.db2.gz WLBNYSBCPSITFL-ZDUSSCGKSA-N 2 1 282.815 2.793 10 0 CFAEMP CC[C@H]1CCC[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180412 523107897 /nfs/dbraw/zinc/10/78/97/523107897.db2.gz IWNFPRDPJBLLNN-HNNXBMFYSA-N 2 1 268.445 2.656 10 0 CFAEMP CC[C@H]1CCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375096 523109975 /nfs/dbraw/zinc/10/99/75/523109975.db2.gz RSGXHJQHXQDORW-ZDUSSCGKSA-N 2 1 265.401 2.937 10 0 CFAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCC[NH2+]CC(C)C ZINC000052571160 523344309 /nfs/dbraw/zinc/34/43/09/523344309.db2.gz YRRWJCYLAONMKR-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP C[N@@H+](Cc1ccccc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453655 523360536 /nfs/dbraw/zinc/36/05/36/523360536.db2.gz VQZBPGOPSCSOAE-MRXNPFEDSA-N 2 1 276.449 2.876 10 0 CFAEMP C[N@@H+](Cc1cccnc1C(N)=[NH2+])C1CCCCCC1 ZINC000061658041 523420302 /nfs/dbraw/zinc/42/03/02/523420302.db2.gz RVOCZFPHWCRSMR-UHFFFAOYSA-N 2 1 260.385 2.520 10 0 CFAEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000052206098 523794027 /nfs/dbraw/zinc/79/40/27/523794027.db2.gz VRDFPXUICOBHMD-CYBMUJFWSA-N 2 1 268.351 2.929 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000052206098 523794031 /nfs/dbraw/zinc/79/40/31/523794031.db2.gz VRDFPXUICOBHMD-CYBMUJFWSA-N 2 1 268.351 2.929 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052454109 523866950 /nfs/dbraw/zinc/86/69/50/523866950.db2.gz WDIIPOGDVWDPQN-AWEZNQCLSA-N 2 1 264.413 2.763 10 0 CFAEMP Cc1ccc(C)c(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231668976 524176467 /nfs/dbraw/zinc/17/64/67/524176467.db2.gz WMUJUJJOTXGKTO-INIZCTEOSA-N 2 1 276.424 2.756 10 0 CFAEMP C[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2F)[C@@H]1C ZINC000050563680 524232403 /nfs/dbraw/zinc/23/24/03/524232403.db2.gz HYZQUDIMKCGOGP-VXGBXAGGSA-N 2 1 250.361 2.905 10 0 CFAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380701 524456493 /nfs/dbraw/zinc/45/64/93/524456493.db2.gz KHHAAOZEWNMNMM-MELADBBJSA-N 2 1 256.434 2.652 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000049554265 524475291 /nfs/dbraw/zinc/47/52/91/524475291.db2.gz CMVUZJIBNGJIAV-NSHDSACASA-N 2 1 278.425 2.568 10 0 CFAEMP Cc1cccc(N2CC[NH+](C[C@H](C)C[NH2+]C(C)C)CC2)c1 ZINC000052418931 524558762 /nfs/dbraw/zinc/55/87/62/524558762.db2.gz MMPRKMSGHIZPDL-QGZVFWFLSA-N 2 1 289.467 2.751 10 0 CFAEMP C[C@H]1COCC[N@@H+]1Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052475782 524723729 /nfs/dbraw/zinc/72/37/29/524723729.db2.gz QRJFKRLVPDODIJ-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1COCC[N@H+]1Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052475782 524723741 /nfs/dbraw/zinc/72/37/41/524723741.db2.gz QRJFKRLVPDODIJ-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H](Cc1ccco1)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205745 524747848 /nfs/dbraw/zinc/74/78/48/524747848.db2.gz GMAMQFCKSDJHQZ-KGLIPLIRSA-N 2 1 250.386 2.675 10 0 CFAEMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235157293 524904457 /nfs/dbraw/zinc/90/44/57/524904457.db2.gz YGFYNQQAMXCFQT-SMDDNHRTSA-N 2 1 252.789 2.613 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])C[C@H](C)O1 ZINC000052380578 524979378 /nfs/dbraw/zinc/97/93/78/524979378.db2.gz DAENFDIVZHGLKT-TXEJJXNPSA-N 2 1 290.432 2.969 10 0 CFAEMP C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000052274872 525328326 /nfs/dbraw/zinc/32/83/26/525328326.db2.gz GEWWIYWLEGQRIO-PBHICJAKSA-N 2 1 258.409 2.692 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000050563671 525639758 /nfs/dbraw/zinc/63/97/58/525639758.db2.gz UWDRSOYPCZCFEZ-UONOGXRCSA-N 2 1 289.423 2.594 10 0 CFAEMP C[C@@]1(CNc2cc[nH+]cc2Br)CCC[NH2+]C1 ZINC000159927761 525852420 /nfs/dbraw/zinc/85/24/20/525852420.db2.gz JMGXBOFSZDZYQN-GFCCVEGCSA-N 2 1 284.201 2.646 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151283073 525922311 /nfs/dbraw/zinc/92/23/11/525922311.db2.gz FOTZTIXICZHSLB-FUHWJXTLSA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151282949 525924365 /nfs/dbraw/zinc/92/43/65/525924365.db2.gz FOTZTIXICZHSLB-WMZOPIPTSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@@H](c1cccs1)[N@@H+](C)Cc1occc1C[NH3+] ZINC000052506668 526146720 /nfs/dbraw/zinc/14/67/20/526146720.db2.gz YQUYAZMTCLQBGR-JTQLQIEISA-N 2 1 250.367 2.993 10 0 CFAEMP C[C@H]1CCCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052378784 526251781 /nfs/dbraw/zinc/25/17/81/526251781.db2.gz URYKUBIZGHHOLA-LBPRGKRZSA-N 2 1 265.401 2.937 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC000054629176 527147759 /nfs/dbraw/zinc/14/77/59/527147759.db2.gz VPVKNVUYNYPISJ-GOOCMWNKSA-N 2 1 264.800 2.837 10 0 CFAEMP [NH3+]Cc1ccoc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373077 527261994 /nfs/dbraw/zinc/26/19/94/527261994.db2.gz IWVWCWJWEMTFPF-HNNXBMFYSA-N 2 1 256.349 2.728 10 0 CFAEMP Cc1[nH+]ccn1CCOc1c(C)cc(C[C@H](C)[NH3+])cc1C ZINC000049331369 527433694 /nfs/dbraw/zinc/43/36/94/527433694.db2.gz YCNRSJUCBFCEJL-AWEZNQCLSA-N 2 1 287.407 2.777 10 0 CFAEMP C[C@H]1OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]CC1(C)C ZINC000757151933 617835089 /nfs/dbraw/zinc/83/50/89/617835089.db2.gz UELVDQYEWZPNRT-LLVKDONJSA-N 2 1 254.418 2.658 10 0 CFAEMP CCC[C@@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757146130 617819575 /nfs/dbraw/zinc/81/95/75/617819575.db2.gz RDNSMYFGAREFJT-GFCCVEGCSA-N 2 1 254.418 2.802 10 0 CFAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CCC1(CCC1)O2 ZINC000757148243 617825054 /nfs/dbraw/zinc/82/50/54/617825054.db2.gz MXZVDPZFRDMTRB-UHFFFAOYSA-N 2 1 252.402 2.556 10 0 CFAEMP c1csc([C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000178979809 618280412 /nfs/dbraw/zinc/28/04/12/618280412.db2.gz NAQAITWTXZWUAF-CYBMUJFWSA-N 2 1 265.426 2.670 10 0 CFAEMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399229798 619090256 /nfs/dbraw/zinc/09/02/56/619090256.db2.gz GHDTVMQAHJEHBE-CVEARBPZSA-N 2 1 282.472 2.638 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccsc3Cl)C[C@H]12 ZINC000261809426 619279604 /nfs/dbraw/zinc/27/96/04/619279604.db2.gz HOIKUEPLZJAUSN-INTQDDNPSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@H]12 ZINC000261809426 619279605 /nfs/dbraw/zinc/27/96/05/619279605.db2.gz HOIKUEPLZJAUSN-INTQDDNPSA-N 2 1 256.802 2.571 10 0 CFAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089108945 650827643 /nfs/dbraw/zinc/82/76/43/650827643.db2.gz QQOFYPUHBROKIV-VXGBXAGGSA-N 2 1 258.369 2.503 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662314 650904681 /nfs/dbraw/zinc/90/46/81/650904681.db2.gz MFLVRVAEJZYPKJ-DUQPFJRNSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662314 650904684 /nfs/dbraw/zinc/90/46/84/650904684.db2.gz MFLVRVAEJZYPKJ-DUQPFJRNSA-N 2 1 294.483 2.900 10 0 CFAEMP C[N@H+]1CCC[C@@](C[NH3+])(N(Cc2ccsc2)C2CC2)CC1 ZINC000086819394 179347927 /nfs/dbraw/zinc/34/79/27/179347927.db2.gz DSHYIXMCTJGOMQ-MRXNPFEDSA-N 2 1 293.480 2.526 10 0 CFAEMP Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818855 179348227 /nfs/dbraw/zinc/34/82/27/179348227.db2.gz PVHSENGPMZWTFL-CVEARBPZSA-N 2 1 276.424 2.836 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817212 179344323 /nfs/dbraw/zinc/34/43/23/179344323.db2.gz HPEJKIZAKWGUNP-IUODEOHRSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC000086818632 179346714 /nfs/dbraw/zinc/34/67/14/179346714.db2.gz CYCIRGFMGFTKAD-CHWSQXEVSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818632 179346716 /nfs/dbraw/zinc/34/67/16/179346716.db2.gz CYCIRGFMGFTKAD-CHWSQXEVSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC000086818633 179347021 /nfs/dbraw/zinc/34/70/21/179347021.db2.gz CYCIRGFMGFTKAD-STQMWFEESA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818633 179347024 /nfs/dbraw/zinc/34/70/24/179347024.db2.gz CYCIRGFMGFTKAD-STQMWFEESA-N 2 1 250.361 2.961 10 0 CFAEMP CCC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](CCC)CC1 ZINC000086845537 179354363 /nfs/dbraw/zinc/35/43/63/179354363.db2.gz KIICBSLYZTXXMY-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP Cc1ncsc1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844859 179355309 /nfs/dbraw/zinc/35/53/09/179355309.db2.gz KAZUXUWKXWVHEM-CYBMUJFWSA-N 2 1 267.442 2.804 10 0 CFAEMP Cc1ncsc1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844859 179355312 /nfs/dbraw/zinc/35/53/12/179355312.db2.gz KAZUXUWKXWVHEM-CYBMUJFWSA-N 2 1 267.442 2.804 10 0 CFAEMP CCC[N@H+]1CCC[C@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868527 179360482 /nfs/dbraw/zinc/36/04/82/179360482.db2.gz OUAXFIXISFKESY-KRWDZBQOSA-N 2 1 296.455 2.670 10 0 CFAEMP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@@H+](CC)CC1 ZINC000086868548 179360971 /nfs/dbraw/zinc/36/09/71/179360971.db2.gz JLCMGZDGECCOST-INIZCTEOSA-N 2 1 284.444 2.526 10 0 CFAEMP [NH3+][C@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303770 180130722 /nfs/dbraw/zinc/13/07/22/180130722.db2.gz QFCLGAXSDGIWMG-KURKYZTESA-N 2 1 264.372 2.916 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839494 355602632 /nfs/dbraw/zinc/60/26/32/355602632.db2.gz HCYVODMEHODQJU-FOGDFJRCSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839494 355602634 /nfs/dbraw/zinc/60/26/34/355602634.db2.gz HCYVODMEHODQJU-FOGDFJRCSA-N 2 1 254.324 2.552 10 0 CFAEMP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275359196 193010456 /nfs/dbraw/zinc/01/04/56/193010456.db2.gz ATOCDBDUDLOROP-RRGWEWPQSA-N 2 1 267.376 2.749 10 0 CFAEMP c1cc2c(cccc2C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000275602492 193083637 /nfs/dbraw/zinc/08/36/37/193083637.db2.gz QMOSZXGVUKULMU-CYBMUJFWSA-N 2 1 280.375 2.717 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000092813081 375159775 /nfs/dbraw/zinc/15/97/75/375159775.db2.gz OEWBCIPULKUMTP-ZDUSSCGKSA-N 2 1 288.420 2.781 10 0 CFAEMP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601496 380531089 /nfs/dbraw/zinc/53/10/89/380531089.db2.gz JHLUDBHIJMJQHO-NEPJUHHUSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601496 380531093 /nfs/dbraw/zinc/53/10/93/380531093.db2.gz JHLUDBHIJMJQHO-NEPJUHHUSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(F)(F)F ZINC000336601496 380531097 /nfs/dbraw/zinc/53/10/97/380531097.db2.gz JHLUDBHIJMJQHO-NEPJUHHUSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(F)(F)F ZINC000336601496 380531104 /nfs/dbraw/zinc/53/11/04/380531104.db2.gz JHLUDBHIJMJQHO-NEPJUHHUSA-N 2 1 264.335 2.603 10 0 CFAEMP CCC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCOCC1 ZINC000336619289 380560894 /nfs/dbraw/zinc/56/08/94/380560894.db2.gz MCWGDEXCVSIRTF-QGZVFWFLSA-N 2 1 280.456 2.611 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000400330501 380856542 /nfs/dbraw/zinc/85/65/42/380856542.db2.gz FWBNCIIVOZLUMQ-QWRGUYRKSA-N 2 1 283.213 2.537 10 0 CFAEMP C[C@@H](CCN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638722 382508340 /nfs/dbraw/zinc/50/83/40/382508340.db2.gz ALDYBHYSMBKHOZ-FUHWJXTLSA-N 2 1 289.467 2.629 10 0 CFAEMP C[C@@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638722 382508344 /nfs/dbraw/zinc/50/83/44/382508344.db2.gz ALDYBHYSMBKHOZ-FUHWJXTLSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379638722 382508350 /nfs/dbraw/zinc/50/83/50/382508350.db2.gz ALDYBHYSMBKHOZ-FUHWJXTLSA-N 3 1 289.467 2.629 10 0 CFAEMP C[C@@H]1C[N@H+](C(C2CCC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000381138139 382518230 /nfs/dbraw/zinc/51/82/30/382518230.db2.gz BWPDAIYJAZWWCO-MLGOLLRUSA-N 2 1 250.430 2.872 10 0 CFAEMP Cc1cncc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000189896071 382644350 /nfs/dbraw/zinc/64/43/50/382644350.db2.gz SEUXPUATVMRAMM-HNNXBMFYSA-N 2 1 282.391 2.719 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634998178 383453261 /nfs/dbraw/zinc/45/32/61/383453261.db2.gz BUSMMPHWWXGIJS-DZGCQCFKSA-N 2 1 262.397 2.502 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000364 383457486 /nfs/dbraw/zinc/45/74/86/383457486.db2.gz MUXVZYBJVOOUOZ-ZFWWWQNUSA-N 2 1 262.397 2.502 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261556986 383511497 /nfs/dbraw/zinc/51/14/97/383511497.db2.gz CLCAIFJXJGVFHW-GZBFAFLISA-N 2 1 264.800 2.818 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261556988 383511674 /nfs/dbraw/zinc/51/16/74/383511674.db2.gz CLCAIFJXJGVFHW-YDHLFZDLSA-N 2 1 264.800 2.818 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]12 ZINC000261556328 383511980 /nfs/dbraw/zinc/51/19/80/383511980.db2.gz BWTPGFPRIUFITK-ZLKJLUDKSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]12 ZINC000261556328 383511986 /nfs/dbraw/zinc/51/19/86/383511986.db2.gz BWTPGFPRIUFITK-ZLKJLUDKSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]12 ZINC000261573414 383516968 /nfs/dbraw/zinc/51/69/68/383516968.db2.gz IUJGSNDPCAFDIQ-IQJOONFLSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]12 ZINC000261573414 383516971 /nfs/dbraw/zinc/51/69/71/383516971.db2.gz IUJGSNDPCAFDIQ-IQJOONFLSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]12 ZINC000261577688 383518088 /nfs/dbraw/zinc/51/80/88/383518088.db2.gz LIIKPKRQEJGKEX-INTQDDNPSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]12 ZINC000261577688 383518091 /nfs/dbraw/zinc/51/80/91/383518091.db2.gz LIIKPKRQEJGKEX-INTQDDNPSA-N 2 1 256.802 2.571 10 0 CFAEMP Cc1cccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261658800 383538591 /nfs/dbraw/zinc/53/85/91/383538591.db2.gz IBRYXIXSYOGHPF-SJORKVTESA-N 2 1 281.403 2.564 10 0 CFAEMP CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261919655 383580795 /nfs/dbraw/zinc/58/07/95/383580795.db2.gz KEAGDIBXYAEJLM-BZUAXINKSA-N 2 1 282.472 2.805 10 0 CFAEMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261950054 383584910 /nfs/dbraw/zinc/58/49/10/383584910.db2.gz OCLDOHLHTOZWCS-XHSDSOJGSA-N 2 1 294.826 2.587 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@H]12 ZINC000261956349 383585550 /nfs/dbraw/zinc/58/55/50/383585550.db2.gz OSVDCODKMVQCMV-ADEWGFFLSA-N 2 1 291.395 2.605 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@H]12 ZINC000261956349 383585552 /nfs/dbraw/zinc/58/55/52/383585552.db2.gz OSVDCODKMVQCMV-ADEWGFFLSA-N 2 1 291.395 2.605 10 0 CFAEMP CCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000261964447 383587371 /nfs/dbraw/zinc/58/73/71/383587371.db2.gz PXQUKXWKFNHONC-BZUAXINKSA-N 2 1 280.456 2.704 10 0 CFAEMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000261975708 383589020 /nfs/dbraw/zinc/58/90/20/383589020.db2.gz RAOPJALFSGGHHC-XHSDSOJGSA-N 2 1 280.456 2.704 10 0 CFAEMP Clc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261995540 383592899 /nfs/dbraw/zinc/59/28/99/383592899.db2.gz TZJSVUGJGHJXFJ-BZUAXINKSA-N 2 1 294.826 2.587 10 0 CFAEMP Cc1csc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261815186 383566082 /nfs/dbraw/zinc/56/60/82/383566082.db2.gz XFKFXOZGGQMQFN-CABCVRRESA-N 2 1 287.432 2.626 10 0 CFAEMP Cc1csc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261815186 383566089 /nfs/dbraw/zinc/56/60/89/383566089.db2.gz XFKFXOZGGQMQFN-CABCVRRESA-N 2 1 287.432 2.626 10 0 CFAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588738 393564298 /nfs/dbraw/zinc/56/42/98/393564298.db2.gz DBOJSESHJYLWEM-CHWSQXEVSA-N 2 1 260.372 2.886 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735739 393566969 /nfs/dbraw/zinc/56/69/69/393566969.db2.gz TWZVPQVCNUQJJC-AGIUHOORSA-N 2 1 260.372 2.729 10 0 CFAEMP Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)s1 ZINC000385542179 393584239 /nfs/dbraw/zinc/58/42/39/393584239.db2.gz UTYFQDYUEGVLBO-ISTVAULSSA-N 2 1 267.442 2.738 10 0 CFAEMP Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)s1 ZINC000385542179 393584243 /nfs/dbraw/zinc/58/42/43/393584243.db2.gz UTYFQDYUEGVLBO-ISTVAULSSA-N 2 1 267.442 2.738 10 0 CFAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000195275890 393736503 /nfs/dbraw/zinc/73/65/03/393736503.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 1 291.515 2.713 10 0 CFAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195275890 393736505 /nfs/dbraw/zinc/73/65/05/393736505.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 1 291.515 2.713 10 0 CFAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195275890 393736508 /nfs/dbraw/zinc/73/65/08/393736508.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 1 291.515 2.713 10 0 CFAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195275890 393736510 /nfs/dbraw/zinc/73/65/10/393736510.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 1 291.515 2.713 10 0 CFAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000195275890 393736514 /nfs/dbraw/zinc/73/65/14/393736514.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 1 291.515 2.713 10 0 CFAEMP COc1ccc(C)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231464386 393781793 /nfs/dbraw/zinc/78/17/93/393781793.db2.gz YYAYFZJVTTYCRT-OAHLLOKOSA-N 2 1 262.397 2.578 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231464386 393781796 /nfs/dbraw/zinc/78/17/96/393781796.db2.gz YYAYFZJVTTYCRT-OAHLLOKOSA-N 2 1 262.397 2.578 10 0 CFAEMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1[NH3+] ZINC000235716124 393784637 /nfs/dbraw/zinc/78/46/37/393784637.db2.gz SZULWFHHNUGVBB-CABZTGNLSA-N 2 1 261.756 2.672 10 0 CFAEMP C[N@@H+](C[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241412 397636920 /nfs/dbraw/zinc/63/69/20/397636920.db2.gz DTCDPRYAIVEBNE-CABCVRRESA-N 2 1 274.408 2.627 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152264 171359759 /nfs/dbraw/zinc/35/97/59/171359759.db2.gz WTFBONZDUCITTC-CQSZACIVSA-N 2 1 289.423 2.738 10 0 CFAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccco2)C1 ZINC000035700791 172369340 /nfs/dbraw/zinc/36/93/40/172369340.db2.gz PMCGLVPFKSSKOS-VNHYZAJKSA-N 2 1 250.386 2.865 10 0 CFAEMP CCC(CC)[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000036788598 172706764 /nfs/dbraw/zinc/70/67/64/172706764.db2.gz DBEGKEUQBUTXKU-UHFFFAOYSA-N 2 1 264.413 2.687 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000039630709 174171150 /nfs/dbraw/zinc/17/11/50/174171150.db2.gz UCDQHOXGDRMOSH-AGUYFDCRSA-N 2 1 250.773 2.794 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC000039630709 174171151 /nfs/dbraw/zinc/17/11/51/174171151.db2.gz UCDQHOXGDRMOSH-AGUYFDCRSA-N 2 1 250.773 2.794 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040593488 174347470 /nfs/dbraw/zinc/34/74/70/174347470.db2.gz ONWIYMPTTRBXLE-DOTOQJQBSA-N 2 1 290.451 2.948 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(O)cc2)C1 ZINC000040621301 174355253 /nfs/dbraw/zinc/35/52/53/174355253.db2.gz MKUFQPTYUZSJJC-KBPBESRZSA-N 2 1 262.397 2.773 10 0 CFAEMP COc1ccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749381 174394052 /nfs/dbraw/zinc/39/40/52/174394052.db2.gz JFBWWFGIPHZFIW-NDNKKMJESA-N 2 1 278.371 2.849 10 0 CFAEMP COc1ccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749381 174394053 /nfs/dbraw/zinc/39/40/53/174394053.db2.gz JFBWWFGIPHZFIW-NDNKKMJESA-N 2 1 278.371 2.849 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000040750277 174395070 /nfs/dbraw/zinc/39/50/70/174395070.db2.gz BVUSRSQTHINEAE-AGUYFDCRSA-N 2 1 285.366 2.828 10 0 CFAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000040769276 174399015 /nfs/dbraw/zinc/39/90/15/174399015.db2.gz QXGAKOWLRNMZSH-JWTNVVGKSA-N 2 1 287.451 2.723 10 0 CFAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000040769276 174399017 /nfs/dbraw/zinc/39/90/17/174399017.db2.gz QXGAKOWLRNMZSH-JWTNVVGKSA-N 2 1 287.451 2.723 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000043323791 175006466 /nfs/dbraw/zinc/00/64/66/175006466.db2.gz MCIQFSQVFBFNGD-BWAJOPIQSA-N 2 1 262.441 2.933 10 0 CFAEMP CCCC[C@H](CC)C[N@H+]1CCCN(CCCC[NH3+])CC1 ZINC000043454529 175050232 /nfs/dbraw/zinc/05/02/32/175050232.db2.gz SMHCCRCNRAKRCE-KRWDZBQOSA-N 2 1 283.504 2.949 10 0 CFAEMP CCCC[C@H](CC)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000043454529 175050233 /nfs/dbraw/zinc/05/02/33/175050233.db2.gz SMHCCRCNRAKRCE-KRWDZBQOSA-N 2 1 283.504 2.949 10 0 CFAEMP CCCC[C@H](CC)CN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000043454529 175050234 /nfs/dbraw/zinc/05/02/34/175050234.db2.gz SMHCCRCNRAKRCE-KRWDZBQOSA-N 2 1 283.504 2.949 10 0 CFAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511974 175060505 /nfs/dbraw/zinc/06/05/05/175060505.db2.gz MNDRSDMZIIGTPD-JTQLQIEISA-N 2 1 260.303 2.732 10 0 CFAEMP CCC(CC)[N@@H+](CCC[C@H]1CCC[NH2+]C1)CCOC ZINC000043592079 175074452 /nfs/dbraw/zinc/07/44/52/175074452.db2.gz FBIZWSJWKQGBTO-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)C(C)C)c1 ZINC000043813269 175111183 /nfs/dbraw/zinc/11/11/83/175111183.db2.gz BKSVXOPVGXZUNE-LBPRGKRZSA-N 2 1 250.386 2.816 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895736 175119468 /nfs/dbraw/zinc/11/94/68/175119468.db2.gz UUJRMYHILFZGKA-JYJNAYRXSA-N 2 1 298.471 2.627 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896191 175119618 /nfs/dbraw/zinc/11/96/18/175119618.db2.gz NKSGOHAWPDTVMZ-CVEARBPZSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@@H](C[N@H+](C)C1CCOCC1)C(C)(C)C ZINC000043898609 175121545 /nfs/dbraw/zinc/12/15/45/175121545.db2.gz QCNPJQNUMUHFKM-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H](C[N@@H+](C)C1CCOCC1)C(C)(C)C ZINC000043898609 175121546 /nfs/dbraw/zinc/12/15/46/175121546.db2.gz QCNPJQNUMUHFKM-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OCC)c(C[N@@H+](C)CCOC)c1 ZINC000043916152 175125255 /nfs/dbraw/zinc/12/52/55/175125255.db2.gz NUPSREWFISADLT-CQSZACIVSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CC)CC(CC)CC ZINC000043967113 175128631 /nfs/dbraw/zinc/12/86/31/175128631.db2.gz RFDKDPWRNNYBGN-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CC)CC(CC)CC ZINC000043967113 175128632 /nfs/dbraw/zinc/12/86/32/175128632.db2.gz RFDKDPWRNNYBGN-HZPDHXFCSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CC)CCOC ZINC000043968750 175129498 /nfs/dbraw/zinc/12/94/98/175129498.db2.gz TWPIWYLREOFBAT-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CC)CCOC ZINC000043968750 175129500 /nfs/dbraw/zinc/12/95/00/175129500.db2.gz TWPIWYLREOFBAT-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CC)CCOC ZINC000043968751 175129927 /nfs/dbraw/zinc/12/99/27/175129927.db2.gz TWPIWYLREOFBAT-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CC)CCOC ZINC000043968751 175129929 /nfs/dbraw/zinc/12/99/29/175129929.db2.gz TWPIWYLREOFBAT-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](CCOC)CC(C)C ZINC000043970506 175131039 /nfs/dbraw/zinc/13/10/39/175131039.db2.gz IOWHYBXLCAXVNE-GJZGRUSLSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CCOC)CC(C)C ZINC000043970506 175131040 /nfs/dbraw/zinc/13/10/40/175131040.db2.gz IOWHYBXLCAXVNE-GJZGRUSLSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981735 175134026 /nfs/dbraw/zinc/13/40/26/175134026.db2.gz FFNZXVYAUFZFMW-JONQDZQNSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981735 175134028 /nfs/dbraw/zinc/13/40/28/175134028.db2.gz FFNZXVYAUFZFMW-JONQDZQNSA-N 2 1 270.461 2.900 10 0 CFAEMP CCOc1ccc([C@H](C)[NH2+]C)cc1Cn1cc[nH+]c1C ZINC000043994091 175136671 /nfs/dbraw/zinc/13/66/71/175136671.db2.gz KQQWRPVPSBNHJY-LBPRGKRZSA-N 2 1 273.380 2.919 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1CC)c1ccc2c(c1)OCO2 ZINC000044036912 175139685 /nfs/dbraw/zinc/13/96/85/175139685.db2.gz OEJIDVBOQQXGMI-CYBMUJFWSA-N 2 1 287.363 2.525 10 0 CFAEMP CCc1[nH+]ccn1[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000044037380 175139951 /nfs/dbraw/zinc/13/99/51/175139951.db2.gz MMWSXFNSPPJWQY-LRDDRELGSA-N 2 1 273.380 2.976 10 0 CFAEMP CC[C@@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000044172704 175149094 /nfs/dbraw/zinc/14/90/94/175149094.db2.gz GQIZVBAUVGQDJO-ZWKOTPCHSA-N 2 1 290.451 2.915 10 0 CFAEMP CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000044172704 175149095 /nfs/dbraw/zinc/14/90/95/175149095.db2.gz GQIZVBAUVGQDJO-ZWKOTPCHSA-N 2 1 290.451 2.915 10 0 CFAEMP CC[NH+]1CCC(C[NH2+]C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000044517817 175191004 /nfs/dbraw/zinc/19/10/04/175191004.db2.gz SXQAIRIPFNTUDC-UHFFFAOYSA-N 3 1 293.499 2.739 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067066 175299991 /nfs/dbraw/zinc/29/99/91/175299991.db2.gz ZUCAUGAONHWLKF-BBWFWOEESA-N 2 1 290.455 2.853 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067066 175299993 /nfs/dbraw/zinc/29/99/93/175299993.db2.gz ZUCAUGAONHWLKF-BBWFWOEESA-N 2 1 290.455 2.853 10 0 CFAEMP C[N@@H+](CCCOc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068667 175300685 /nfs/dbraw/zinc/30/06/85/175300685.db2.gz UDADIKHYZSPZDX-UHFFFAOYSA-N 2 1 264.413 2.892 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000045171148 175320929 /nfs/dbraw/zinc/32/09/29/175320929.db2.gz DQGSCCIHJBYGFE-GFCCVEGCSA-N 2 1 290.455 2.797 10 0 CFAEMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045171176 175320965 /nfs/dbraw/zinc/32/09/65/175320965.db2.gz IIXXVNWEZPOEEG-ZDUSSCGKSA-N 2 1 292.471 2.952 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000045172112 175321474 /nfs/dbraw/zinc/32/14/74/175321474.db2.gz IMPFYTHPAMKMDI-CJNGLKHVSA-N 2 1 292.471 2.901 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000045172112 175321476 /nfs/dbraw/zinc/32/14/76/175321476.db2.gz IMPFYTHPAMKMDI-CJNGLKHVSA-N 2 1 292.471 2.901 10 0 CFAEMP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045378520 175367764 /nfs/dbraw/zinc/36/77/64/175367764.db2.gz BRDZNTFCDBWCGR-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383862 175371111 /nfs/dbraw/zinc/37/11/11/175371111.db2.gz ZMGLMPFHAWAHOJ-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383862 175371112 /nfs/dbraw/zinc/37/11/12/175371112.db2.gz ZMGLMPFHAWAHOJ-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393044 175375293 /nfs/dbraw/zinc/37/52/93/175375293.db2.gz WLXQFAHUAVVHFL-WMLDXEAASA-N 2 1 298.471 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393044 175375294 /nfs/dbraw/zinc/37/52/94/175375294.db2.gz WLXQFAHUAVVHFL-WMLDXEAASA-N 2 1 298.471 2.818 10 0 CFAEMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C[NH3+])[C@H](C)C1 ZINC000071263616 176097058 /nfs/dbraw/zinc/09/70/58/176097058.db2.gz HWVOPZYSQJFMQJ-VXGBXAGGSA-N 2 1 250.361 2.905 10 0 CFAEMP CN(c1cc[nH+]c2cc(Cl)ccc21)[C@H]1CC[NH2+]C1 ZINC000071311757 176118835 /nfs/dbraw/zinc/11/88/35/176118835.db2.gz NUSYJJVQZBFZJC-NSHDSACASA-N 2 1 261.756 2.686 10 0 CFAEMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1 ZINC000216329814 276152198 /nfs/dbraw/zinc/15/21/98/276152198.db2.gz RFIBZBSKUHWAJI-LBWNCTQTSA-N 2 1 262.441 2.885 10 0 CFAEMP Cc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000185655417 281169388 /nfs/dbraw/zinc/16/93/88/281169388.db2.gz WSHUDNNVFCUREQ-CQSZACIVSA-N 2 1 267.376 2.828 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646871 290016412 /nfs/dbraw/zinc/01/64/12/290016412.db2.gz FAQYRDIHJYOESZ-USXIJHARSA-N 2 1 274.408 2.645 10 0 CFAEMP CC(C)[NH2+]Cc1ccoc1C[N@H+]1CCCSCC1 ZINC000052371030 519728078 /nfs/dbraw/zinc/72/80/78/519728078.db2.gz ILNBLUGALUBIHP-UHFFFAOYSA-N 2 1 268.426 2.717 10 0 CFAEMP CC(C)C[NH2+]CCCCOCC[C@@H]1CCC[N@H+]1C ZINC000052672887 519743334 /nfs/dbraw/zinc/74/33/34/519743334.db2.gz IBHMPSNPTUJIDW-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](CCC)C(C)C)on1 ZINC000052450345 519945446 /nfs/dbraw/zinc/94/54/46/519945446.db2.gz QWNZIRYHGSKOGO-UHFFFAOYSA-N 2 1 253.390 2.795 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000052381596 519987690 /nfs/dbraw/zinc/98/76/90/519987690.db2.gz DINQQJOAXDMRBU-GFCCVEGCSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+](C)C[C@@H](C)CC)cs1 ZINC000052453754 520019874 /nfs/dbraw/zinc/01/98/74/520019874.db2.gz LIWQPKFOVOMTJU-NSHDSACASA-N 2 1 255.431 2.731 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](C)C[C@@H](C)CC)cs1 ZINC000052453754 520019880 /nfs/dbraw/zinc/01/98/80/520019880.db2.gz LIWQPKFOVOMTJU-NSHDSACASA-N 2 1 255.431 2.731 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239834 520958544 /nfs/dbraw/zinc/95/85/44/520958544.db2.gz JFHDILRDHUIRBP-MRXNPFEDSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[N@@H+](CC)CCOc1cccc(C[NH2+]CC)c1 ZINC000052448360 521611882 /nfs/dbraw/zinc/61/18/82/521611882.db2.gz DBGGQMNLLPPUAI-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)oc1C ZINC000052420589 522106637 /nfs/dbraw/zinc/10/66/37/522106637.db2.gz FMXDCHJQVUMENX-TXEJJXNPSA-N 2 1 250.386 2.785 10 0 CFAEMP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482386 518398280 /nfs/dbraw/zinc/39/82/80/518398280.db2.gz POPDOJGTQCAQQM-IDCNUPLLSA-N 2 1 292.467 2.798 10 0 CFAEMP CC(C)(C)[NH2+]CCCCC[N@H+]1CCCSCC1 ZINC000052371132 518755086 /nfs/dbraw/zinc/75/50/86/518755086.db2.gz KGNYSUGWFVWPGB-UHFFFAOYSA-N 2 1 258.475 2.984 10 0 CFAEMP CC(C)(C)[NH2+]CCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702277 518758711 /nfs/dbraw/zinc/75/87/11/518758711.db2.gz OFHNQLYGRFIUBW-INIZCTEOSA-N 2 1 276.424 2.666 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346230 519723768 /nfs/dbraw/zinc/72/37/68/519723768.db2.gz MPZOFTJHGLWXIX-DLBZAZTESA-N 2 1 294.414 2.803 10 0 CFAEMP CC(C)[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)on1 ZINC000052478485 519726198 /nfs/dbraw/zinc/72/61/98/519726198.db2.gz LAIBTXCALYFNEB-GFCCVEGCSA-N 2 1 253.390 2.649 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(OCC[N@H+]2CC[C@H](C)C2)c1 ZINC000052484479 519727186 /nfs/dbraw/zinc/72/71/86/519727186.db2.gz QZNWLTLLOKRNGB-HNNXBMFYSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000052380260 519727418 /nfs/dbraw/zinc/72/74/18/519727418.db2.gz LJXYHJNESSGHPX-GJZGRUSLSA-N 2 1 276.424 2.794 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181355 519742853 /nfs/dbraw/zinc/74/28/53/519742853.db2.gz JBVDWWYPPANEQZ-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CC(C)C[NH2+]CCC[N@H+](C)Cc1cccc(F)c1 ZINC000052425275 519743689 /nfs/dbraw/zinc/74/36/89/519743689.db2.gz MQHQKNOQZHKGOF-UHFFFAOYSA-N 2 1 252.377 2.893 10 0 CFAEMP CC(C)C[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1 ZINC000052425275 519743690 /nfs/dbraw/zinc/74/36/90/519743690.db2.gz MQHQKNOQZHKGOF-UHFFFAOYSA-N 2 1 252.377 2.893 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479270 519745394 /nfs/dbraw/zinc/74/53/94/519745394.db2.gz BLULJXOXUQXVOW-CWRNSKLLSA-N 2 1 268.445 2.510 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479271 519746375 /nfs/dbraw/zinc/74/63/75/519746375.db2.gz BLULJXOXUQXVOW-NUEKZKHPSA-N 2 1 268.445 2.510 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1 ZINC000052476054 519747054 /nfs/dbraw/zinc/74/70/54/519747054.db2.gz VZIOBTIGVPLCFH-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC000052476054 519747055 /nfs/dbraw/zinc/74/70/55/519747055.db2.gz VZIOBTIGVPLCFH-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554013 519784355 /nfs/dbraw/zinc/78/43/55/519784355.db2.gz FINLVHIFYGYVST-AWEZNQCLSA-N 2 1 264.413 2.904 10 0 CFAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+]1CCCSCC1 ZINC000052370963 519815766 /nfs/dbraw/zinc/81/57/66/519815766.db2.gz LJJGNEGLOWNHNR-ZDUSSCGKSA-N 2 1 258.475 2.838 10 0 CFAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+]1CCCSCC1 ZINC000052370963 519815767 /nfs/dbraw/zinc/81/57/67/519815767.db2.gz LJJGNEGLOWNHNR-ZDUSSCGKSA-N 2 1 258.475 2.838 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180692 519909637 /nfs/dbraw/zinc/90/96/37/519909637.db2.gz BTUXZYDPHXMBNF-HNNXBMFYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197539 519910371 /nfs/dbraw/zinc/91/03/71/519910371.db2.gz HISMCYLXTJUTKO-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180950 519910375 /nfs/dbraw/zinc/91/03/75/519910375.db2.gz PBIFRSRWVJWNDY-UHFFFAOYSA-N 2 1 290.451 2.915 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198220 519911052 /nfs/dbraw/zinc/91/10/52/519911052.db2.gz ZRCPGGMXISFTSS-HOTGVXAUSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000052181022 519912224 /nfs/dbraw/zinc/91/22/24/519912224.db2.gz BIVIDFJNDXHRFL-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCOCC[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000174736292 519923000 /nfs/dbraw/zinc/92/30/00/519923000.db2.gz ZIIWXRVOXSWDTI-HNNXBMFYSA-N 2 1 299.418 2.782 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CCC)C(C)C)O1 ZINC000052450571 519925498 /nfs/dbraw/zinc/92/54/98/519925498.db2.gz AQZMWTMDOPDMBF-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417533 519936439 /nfs/dbraw/zinc/93/64/39/519936439.db2.gz KMMPDUCSDFDEEN-SJORKVTESA-N 2 1 276.424 2.666 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)CCC(C)C)on1 ZINC000052545859 519945032 /nfs/dbraw/zinc/94/50/32/519945032.db2.gz ZZWPXVGVPBGMES-UHFFFAOYSA-N 2 1 253.390 2.652 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000052484488 519999866 /nfs/dbraw/zinc/99/98/66/519999866.db2.gz CTGUNQCMJKMLPD-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503408 520006714 /nfs/dbraw/zinc/00/67/14/520006714.db2.gz OKMDLVQKXNVNFJ-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1ccccc1CN(CC[NH+](C)C)CC(C)C ZINC000052503408 520006721 /nfs/dbraw/zinc/00/67/21/520006721.db2.gz OKMDLVQKXNVNFJ-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)C(C)C ZINC000052419586 520007686 /nfs/dbraw/zinc/00/76/86/520007686.db2.gz OCBMUKROUVYTKZ-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000052381359 520009147 /nfs/dbraw/zinc/00/91/47/520009147.db2.gz RCRBFWTVDVPXDL-OAHLLOKOSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[NH2+]Cc1oc(C[N@H+](CCN(C)C)CC(C)C)cc1C ZINC000052503430 520028646 /nfs/dbraw/zinc/02/86/46/520028646.db2.gz PETOWSYMTMXEGX-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CC[NH2+]Cc1oc(C[N@@H+](CCN(C)C)CC(C)C)cc1C ZINC000052503430 520028653 /nfs/dbraw/zinc/02/86/53/520028653.db2.gz PETOWSYMTMXEGX-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401383 520274307 /nfs/dbraw/zinc/27/43/07/520274307.db2.gz HBQFIPVPSGVYSW-MRXNPFEDSA-N 2 1 280.387 2.675 10 0 CFAEMP CCCC[N@@H+](CCn1cc(C[NH2+]CCC)nn1)[C@H](C)CC ZINC000052372712 520541871 /nfs/dbraw/zinc/54/18/71/520541871.db2.gz SBJDUEIFQLPURY-OAHLLOKOSA-N 2 1 295.475 2.678 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052181260 520938784 /nfs/dbraw/zinc/93/87/84/520938784.db2.gz PWQOWPRVRARZKA-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP CCC[C@H](C)[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052480649 521034298 /nfs/dbraw/zinc/03/42/98/521034298.db2.gz JQGKMPAATVNABD-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052573354 521559061 /nfs/dbraw/zinc/55/90/61/521559061.db2.gz VWPDEGFRWBBRCG-UHFFFAOYSA-N 2 1 268.401 2.684 10 0 CFAEMP CC[N@@H+]1CCC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000049193193 521649753 /nfs/dbraw/zinc/64/97/53/521649753.db2.gz KSINFXJDHDIJOA-LBPRGKRZSA-N 2 1 270.380 2.713 10 0 CFAEMP CC[N@H+]1CCC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000049193193 521649757 /nfs/dbraw/zinc/64/97/57/521649757.db2.gz KSINFXJDHDIJOA-LBPRGKRZSA-N 2 1 270.380 2.713 10 0 CFAEMP CCC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(C)CC1 ZINC000050539250 521691918 /nfs/dbraw/zinc/69/19/18/521691918.db2.gz GYLNLYJDTONJBP-UHFFFAOYSA-N 2 1 278.444 2.540 10 0 CFAEMP CCC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(C)CC1 ZINC000050539250 521691920 /nfs/dbraw/zinc/69/19/20/521691920.db2.gz GYLNLYJDTONJBP-UHFFFAOYSA-N 2 1 278.444 2.540 10 0 CFAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1F ZINC000054627689 521957050 /nfs/dbraw/zinc/95/70/50/521957050.db2.gz VXQZEDJHCPCWJC-GOOCMWNKSA-N 2 1 262.372 2.583 10 0 CFAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1F ZINC000054627689 521957057 /nfs/dbraw/zinc/95/70/57/521957057.db2.gz VXQZEDJHCPCWJC-GOOCMWNKSA-N 2 1 262.372 2.583 10 0 CFAEMP C[NH2+]CC1(C[N@@H+]2CCc3sccc3[C@@H]2C)CCOCC1 ZINC000052182367 521971517 /nfs/dbraw/zinc/97/15/17/521971517.db2.gz FVSQGZVFXSGLED-ZDUSSCGKSA-N 2 1 294.464 2.683 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CCc3sccc3[C@@H]2C)CCOCC1 ZINC000052182367 521971525 /nfs/dbraw/zinc/97/15/25/521971525.db2.gz FVSQGZVFXSGLED-ZDUSSCGKSA-N 2 1 294.464 2.683 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547241 522093613 /nfs/dbraw/zinc/09/36/13/522093613.db2.gz LLODAOBNCVDMFU-UONOGXRCSA-N 2 1 258.450 2.758 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)oc1C ZINC000052373281 522109244 /nfs/dbraw/zinc/10/92/44/522109244.db2.gz HVGOEJACVNSMMS-NEPJUHHUSA-N 2 1 250.386 2.928 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000052378826 522122764 /nfs/dbraw/zinc/12/27/64/522122764.db2.gz XHWJONCFJKFJHT-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373078 522165559 /nfs/dbraw/zinc/16/55/59/522165559.db2.gz WJARODYRFMNMQU-HNNXBMFYSA-N 2 1 270.376 2.989 10 0 CFAEMP COC1CC[NH+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052455230 522704539 /nfs/dbraw/zinc/70/45/39/522704539.db2.gz XNQLTXPSSZYHPM-UHFFFAOYSA-N 2 1 274.364 2.502 10 0 CFAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CCCO1 ZINC000052541034 522726427 /nfs/dbraw/zinc/72/64/27/522726427.db2.gz ZNUWHYRFGBLKQL-CQSZACIVSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[C@H]1CCC[N@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180425 523109713 /nfs/dbraw/zinc/10/97/13/523109713.db2.gz BKBQZKZKXOVMTH-INIZCTEOSA-N 2 1 282.472 2.903 10 0 CFAEMP C[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000231669211 523180484 /nfs/dbraw/zinc/18/04/84/523180484.db2.gz QXGOPGVBHZVTDD-MRXNPFEDSA-N 2 1 287.382 2.948 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000082666784 523238770 /nfs/dbraw/zinc/23/87/70/523238770.db2.gz CLTOHLDVRDTEHI-SNVBAGLBSA-N 2 1 258.818 2.975 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000082666784 523238786 /nfs/dbraw/zinc/23/87/86/523238786.db2.gz CLTOHLDVRDTEHI-SNVBAGLBSA-N 2 1 258.818 2.975 10 0 CFAEMP CCn1cc[nH+]c1N(CCC[NH3+])c1cccc(F)c1 ZINC000050607881 523547310 /nfs/dbraw/zinc/54/73/10/523547310.db2.gz NXRYCYRYLWBEDG-UHFFFAOYSA-N 2 1 262.332 2.529 10 0 CFAEMP C[N@@H+](Cc1oc2ccccc2c1C[NH3+])[C@H]1CCSC1 ZINC000052453437 523617881 /nfs/dbraw/zinc/61/78/81/523617881.db2.gz NFRYWGZNDDGLJW-NSHDSACASA-N 2 1 276.405 2.829 10 0 CFAEMP COCC[N@@H+](C1CC1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374655 523640838 /nfs/dbraw/zinc/64/08/38/523640838.db2.gz UBLONLJGTHYESO-UHFFFAOYSA-N 2 1 294.361 2.547 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC000221923562 523660026 /nfs/dbraw/zinc/66/00/26/523660026.db2.gz WQXJFWVIQJKCCH-CYBMUJFWSA-N 2 1 280.460 2.901 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1C ZINC000221923562 523660036 /nfs/dbraw/zinc/66/00/36/523660036.db2.gz WQXJFWVIQJKCCH-CYBMUJFWSA-N 2 1 280.460 2.901 10 0 CFAEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000052205442 523791966 /nfs/dbraw/zinc/79/19/66/523791966.db2.gz GDHAVQFDKWSOCC-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000052205442 523791968 /nfs/dbraw/zinc/79/19/68/523791968.db2.gz GDHAVQFDKWSOCC-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@H+]1CCCN(Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052424163 523809327 /nfs/dbraw/zinc/80/93/27/523809327.db2.gz PIRUGVMLGZUAII-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052424163 523809328 /nfs/dbraw/zinc/80/93/28/523809328.db2.gz PIRUGVMLGZUAII-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052424163 523809330 /nfs/dbraw/zinc/80/93/30/523809330.db2.gz PIRUGVMLGZUAII-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP C[N@H+]1CCCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052424441 523810902 /nfs/dbraw/zinc/81/09/02/523810902.db2.gz OIWBQEJXNVZKGN-KRWDZBQOSA-N 2 1 289.467 2.753 10 0 CFAEMP C[N@H+]1CCC[C@H]1CCOc1ccc(C[NH3+])cc1Cl ZINC000062793334 523850733 /nfs/dbraw/zinc/85/07/33/523850733.db2.gz NZLSROIOVQBZTL-LBPRGKRZSA-N 2 1 268.788 2.662 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454148 523868105 /nfs/dbraw/zinc/86/81/05/523868105.db2.gz BPHFPJSLSLHFSM-AWEZNQCLSA-N 2 1 264.413 2.763 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312201 524104652 /nfs/dbraw/zinc/10/46/52/524104652.db2.gz UPQVTGOPKYACBP-CYBMUJFWSA-N 2 1 296.377 2.810 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052378782 524114679 /nfs/dbraw/zinc/11/46/79/524114679.db2.gz URYKUBIZGHHOLA-GFCCVEGCSA-N 2 1 265.401 2.937 10 0 CFAEMP C[C@H](C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482241 524478377 /nfs/dbraw/zinc/47/83/77/524478377.db2.gz BUTQTPYLARMFDV-QLFBSQMISA-N 2 1 250.430 2.887 10 0 CFAEMP C[C@@H](C[NH2+]C1CC1)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346140 524732687 /nfs/dbraw/zinc/73/26/87/524732687.db2.gz PHTBHVVVTHPODO-LBPRGKRZSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000052380781 524993970 /nfs/dbraw/zinc/99/39/70/524993970.db2.gz DCLWHUXSKAISBJ-OKILXGFUSA-N 2 1 274.408 2.548 10 0 CFAEMP C[C@@H]1C[NH+](Cc2cccc(C[NH2+]C3CC3)c2)C[C@@H](C)O1 ZINC000052380268 525001320 /nfs/dbraw/zinc/00/13/20/525001320.db2.gz MPQAKRABSWKEIF-ZIAGYGMSSA-N 2 1 274.408 2.548 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363730 525058402 /nfs/dbraw/zinc/05/84/02/525058402.db2.gz XARAKQYCZGBIIH-KGYLQXTDSA-N 2 1 250.411 2.795 10 0 CFAEMP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+](C)CC(C)C ZINC000052452850 526774736 /nfs/dbraw/zinc/77/47/36/526774736.db2.gz AUIHKMNDJTVBER-UHFFFAOYSA-N 2 1 250.386 2.928 10 0 CFAEMP Nc1ccc2[nH]c(CC[NH+]3Cc4ccccc4C3)[nH+]c2c1 ZINC000050909989 527505678 /nfs/dbraw/zinc/50/56/78/527505678.db2.gz MUIAHQVIJPBGJV-UHFFFAOYSA-N 2 1 278.359 2.703 10 0 CFAEMP CC[NH2+]CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272838 535461262 /nfs/dbraw/zinc/46/12/62/535461262.db2.gz NRVZVRFXGYNHDT-UHFFFAOYSA-N 2 1 253.777 2.561 10 0 CFAEMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250361193 535954345 /nfs/dbraw/zinc/95/43/45/535954345.db2.gz TYHVGNFLVJRTEK-SQNIBIBYSA-N 2 1 287.451 2.506 10 0 CFAEMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261772121 618425997 /nfs/dbraw/zinc/42/59/97/618425997.db2.gz DSWLINRWIQFNBT-DLBZAZTESA-N 2 1 287.451 2.587 10 0 CFAEMP C[NH+](C)CCC[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504838 178068771 /nfs/dbraw/zinc/06/87/71/178068771.db2.gz SICAOWRDWGALSW-CQSZACIVSA-N 2 1 262.397 2.830 10 0 CFAEMP Cn1cc[nH+]c1NC[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096081926 185090726 /nfs/dbraw/zinc/09/07/26/185090726.db2.gz UCLBPFVFOBGKKS-ARFHVFGLSA-N 2 1 288.439 2.590 10 0 CFAEMP Fc1ccccc1C[N@H+]1C[C@H]2CC[NH+](CC3CC3)C[C@H]2C1 ZINC000096081409 185091609 /nfs/dbraw/zinc/09/16/09/185091609.db2.gz QTOBBNNUIBYUOG-WBVHZDCISA-N 2 1 288.410 2.989 10 0 CFAEMP Fc1ccccc1C[NH+]1C[C@H]2CC[N@H+](CC3CC3)C[C@H]2C1 ZINC000096081409 185091611 /nfs/dbraw/zinc/09/16/11/185091611.db2.gz QTOBBNNUIBYUOG-WBVHZDCISA-N 2 1 288.410 2.989 10 0 CFAEMP Fc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]2C1 ZINC000096081409 185091612 /nfs/dbraw/zinc/09/16/12/185091612.db2.gz QTOBBNNUIBYUOG-WBVHZDCISA-N 2 1 288.410 2.989 10 0 CFAEMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1O ZINC000036997094 346325569 /nfs/dbraw/zinc/32/55/69/346325569.db2.gz UJBHYFDRGIJGRW-JKSUJKDBSA-N 2 1 274.408 2.725 10 0 CFAEMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc(C)c1O ZINC000036997094 346325571 /nfs/dbraw/zinc/32/55/71/346325571.db2.gz UJBHYFDRGIJGRW-JKSUJKDBSA-N 2 1 274.408 2.725 10 0 CFAEMP COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818650 179347716 /nfs/dbraw/zinc/34/77/16/179347716.db2.gz RMUKWALHHZYZHG-UKRRQHHQSA-N 2 1 262.397 2.830 10 0 CFAEMP CCN(c1ccc(C)cc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819521 179347896 /nfs/dbraw/zinc/34/78/96/179347896.db2.gz MTNNEJPJNSDOQQ-KRWDZBQOSA-N 2 1 275.440 2.635 10 0 CFAEMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817219 179344308 /nfs/dbraw/zinc/34/43/08/179344308.db2.gz KBLLZMCCJXEKGR-UONOGXRCSA-N 2 1 262.397 2.830 10 0 CFAEMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817219 179344310 /nfs/dbraw/zinc/34/43/10/179344310.db2.gz KBLLZMCCJXEKGR-UONOGXRCSA-N 2 1 262.397 2.830 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000086817309 179344424 /nfs/dbraw/zinc/34/44/24/179344424.db2.gz IHNYUMYBNCCJLN-HNNXBMFYSA-N 2 1 286.423 2.500 10 0 CFAEMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817313 179344432 /nfs/dbraw/zinc/34/44/32/179344432.db2.gz IRLAVUZOTWZVER-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817313 179344433 /nfs/dbraw/zinc/34/44/33/179344433.db2.gz IRLAVUZOTWZVER-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817213 179344764 /nfs/dbraw/zinc/34/47/64/179344764.db2.gz HPEJKIZAKWGUNP-WFASDCNBSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817389 179345433 /nfs/dbraw/zinc/34/54/33/179345433.db2.gz MAJPOLOTHHIASP-WFASDCNBSA-N 2 1 250.361 2.961 10 0 CFAEMP C[NH+](C)Cc1cccc(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817836 179346180 /nfs/dbraw/zinc/34/61/80/179346180.db2.gz UPPKEAKZNKGOJZ-OAHLLOKOSA-N 2 1 261.413 2.644 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848371 179356396 /nfs/dbraw/zinc/35/63/96/179356396.db2.gz YNWDJGCDDLAFBS-KRWDZBQOSA-N 2 1 293.430 2.854 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC)CC(C)C)CC1 ZINC000086846865 179356959 /nfs/dbraw/zinc/35/69/59/179356959.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](CC)CC(C)C)CC1 ZINC000086846865 179356962 /nfs/dbraw/zinc/35/69/62/179356962.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](CC)CC(C)C)CC1 ZINC000086846865 179356963 /nfs/dbraw/zinc/35/69/63/179356963.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846865 179356965 /nfs/dbraw/zinc/35/69/65/179356965.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846865 179356967 /nfs/dbraw/zinc/35/69/67/179356967.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839292 179350929 /nfs/dbraw/zinc/35/09/29/179350929.db2.gz DYHKXHUEEAAHCO-GOEBONIOSA-N 2 1 290.455 2.652 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842104 179352474 /nfs/dbraw/zinc/35/24/74/179352474.db2.gz POALVXJCKNOTMG-MSOLQXFVSA-N 2 1 295.515 2.961 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842104 179352476 /nfs/dbraw/zinc/35/24/76/179352476.db2.gz POALVXJCKNOTMG-MSOLQXFVSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842104 179352477 /nfs/dbraw/zinc/35/24/77/179352477.db2.gz POALVXJCKNOTMG-MSOLQXFVSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496501 348287930 /nfs/dbraw/zinc/28/79/30/348287930.db2.gz JLJGPEYPFDWSCN-PBHICJAKSA-N 2 1 258.409 2.994 10 0 CFAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000399167859 348568650 /nfs/dbraw/zinc/56/86/50/348568650.db2.gz HKHUZAAKRVHCLH-MRXNPFEDSA-N 2 1 296.842 2.837 10 0 CFAEMP C[C@@H]1CC[N@H+](CCOC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000104439106 186002427 /nfs/dbraw/zinc/00/24/27/186002427.db2.gz MQGJBPIURJGYMF-GASCZTMLSA-N 2 1 268.445 2.798 10 0 CFAEMP CCn1cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000091025734 180089673 /nfs/dbraw/zinc/08/96/73/180089673.db2.gz VTRWDZFDHFKGMR-UHFFFAOYSA-N 2 1 263.429 2.861 10 0 CFAEMP [NH3+]C1(CNc2cc[nH+]c3cc(Cl)ccc23)CCOCC1 ZINC000630527775 355104151 /nfs/dbraw/zinc/10/41/51/355104151.db2.gz VJGSIUAGSRQHBI-UHFFFAOYSA-N 2 1 291.782 2.808 10 0 CFAEMP [NH3+][C@H]1CCCCCN(c2cc[nH+]cc2Br)C1 ZINC000630549400 355108827 /nfs/dbraw/zinc/10/88/27/355108827.db2.gz NEXJHMLXANZGBS-JTQLQIEISA-N 2 1 284.201 2.552 10 0 CFAEMP C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841395 355603689 /nfs/dbraw/zinc/60/36/89/355603689.db2.gz KFXQGMCMKCBVGC-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841395 355603692 /nfs/dbraw/zinc/60/36/92/355603692.db2.gz KFXQGMCMKCBVGC-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841575 355603735 /nfs/dbraw/zinc/60/37/35/355603735.db2.gz MMTCCONIDRGJGX-JQWIXIFHSA-N 2 1 272.314 2.732 10 0 CFAEMP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381662524 540698298 /nfs/dbraw/zinc/69/82/98/540698298.db2.gz JXASEVMIIVWYBA-MJBXVCDLSA-N 2 1 272.383 2.743 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000011848603 371931317 /nfs/dbraw/zinc/93/13/17/371931317.db2.gz NRTXGGZTTFKATD-GFCCVEGCSA-N 2 1 280.169 2.654 10 0 CFAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516321 374700787 /nfs/dbraw/zinc/70/07/87/374700787.db2.gz AJLLMYQZLMMQCO-AEFFLSMTSA-N 2 1 290.451 2.558 10 0 CFAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516321 374700793 /nfs/dbraw/zinc/70/07/93/374700793.db2.gz AJLLMYQZLMMQCO-AEFFLSMTSA-N 2 1 290.451 2.558 10 0 CFAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516321 374700799 /nfs/dbraw/zinc/70/07/99/374700799.db2.gz AJLLMYQZLMMQCO-AEFFLSMTSA-N 2 1 290.451 2.558 10 0 CFAEMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000111824578 375872665 /nfs/dbraw/zinc/87/26/65/375872665.db2.gz ANVXPDGJQJSJCI-CQSZACIVSA-N 2 1 252.789 2.914 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)s1 ZINC000151343028 378318548 /nfs/dbraw/zinc/31/85/48/378318548.db2.gz RAHUZOHOXGUNTQ-UONOGXRCSA-N 2 1 296.480 2.808 10 0 CFAEMP CC(C)[C@@H](C)Nc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000163042283 378950542 /nfs/dbraw/zinc/95/05/42/378950542.db2.gz AFQFJQAXRSEXLF-LLVKDONJSA-N 2 1 282.351 2.667 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172163284 379508188 /nfs/dbraw/zinc/50/81/88/379508188.db2.gz VHDOITPRPGADPH-MRXNPFEDSA-N 2 1 284.407 2.720 10 0 CFAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000174224795 379847512 /nfs/dbraw/zinc/84/75/12/379847512.db2.gz ZJEKSTABQSUTGX-WMZOPIPTSA-N 2 1 290.451 2.558 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000174354894 379870655 /nfs/dbraw/zinc/87/06/55/379870655.db2.gz KAGWAQNCAWGEIR-SJORKVTESA-N 2 1 295.515 2.818 10 0 CFAEMP CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178971719 380496762 /nfs/dbraw/zinc/49/67/62/380496762.db2.gz TXQWTOICSJMXOY-QGZVFWFLSA-N 2 1 288.435 2.838 10 0 CFAEMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000181655787 380856022 /nfs/dbraw/zinc/85/60/22/380856022.db2.gz DPLAATUWIVFUEB-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000181655787 380856030 /nfs/dbraw/zinc/85/60/30/380856030.db2.gz DPLAATUWIVFUEB-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420791 380859603 /nfs/dbraw/zinc/85/96/03/380859603.db2.gz WUVVIUMKWJTHOX-SRVKXCTJSA-N 2 1 252.789 2.989 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000182064820 380979551 /nfs/dbraw/zinc/97/95/51/380979551.db2.gz XQACSMCCTPLIMX-TWMKSMIVSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000182064820 380979557 /nfs/dbraw/zinc/97/95/57/380979557.db2.gz XQACSMCCTPLIMX-TWMKSMIVSA-N 2 1 294.483 2.900 10 0 CFAEMP C[C@H](CCc1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382276651 382529305 /nfs/dbraw/zinc/52/93/05/382529305.db2.gz CNEBYLYOHUMURS-BFYDXBDKSA-N 2 1 260.425 2.924 10 0 CFAEMP [NH3+]CC[C@@H](Nc1[nH+]ccc2ccccc21)C(F)F ZINC000383464511 382544980 /nfs/dbraw/zinc/54/49/80/382544980.db2.gz PSMNZUZCDAJPLM-LLVKDONJSA-N 2 1 251.280 2.629 10 0 CFAEMP Fc1cc(F)c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000328622608 382556368 /nfs/dbraw/zinc/55/63/68/382556368.db2.gz BJMOUUBBUPDONR-SNVBAGLBSA-N 2 1 295.308 2.653 10 0 CFAEMP C[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]CC1 ZINC000231454934 382864932 /nfs/dbraw/zinc/86/49/32/382864932.db2.gz OMGZAMXANAMNAB-KRWDZBQOSA-N 2 1 258.409 2.749 10 0 CFAEMP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000246501798 383078917 /nfs/dbraw/zinc/07/89/17/383078917.db2.gz XUSPVNZDTKXDSA-LSDHHAIUSA-N 2 1 299.418 2.516 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1ccccn1 ZINC000245971788 383055499 /nfs/dbraw/zinc/05/54/99/383055499.db2.gz VZOXWXNXCUVQIQ-UKRRQHHQSA-N 2 1 270.380 2.812 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccccn1 ZINC000245971788 383055500 /nfs/dbraw/zinc/05/55/00/383055500.db2.gz VZOXWXNXCUVQIQ-UKRRQHHQSA-N 2 1 270.380 2.812 10 0 CFAEMP CC[C@@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249325094 383340098 /nfs/dbraw/zinc/34/00/98/383340098.db2.gz GUGJOGGXANXRIW-QZTJIDSGSA-N 2 1 290.451 2.601 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698513 383545319 /nfs/dbraw/zinc/54/53/19/383545319.db2.gz NXNDCWJPJZLIFQ-SGIREYDYSA-N 2 1 285.366 2.543 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Br)C[C@H]12 ZINC000261552688 383510545 /nfs/dbraw/zinc/51/05/45/383510545.db2.gz NFMXZOMVDPQOOD-VHRBIJSZSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]12 ZINC000261552688 383510549 /nfs/dbraw/zinc/51/05/49/383510549.db2.gz NFMXZOMVDPQOOD-VHRBIJSZSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]12 ZINC000261573413 383515779 /nfs/dbraw/zinc/51/57/79/383515779.db2.gz IUJGSNDPCAFDIQ-FXPVBKGRSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]12 ZINC000261573413 383515784 /nfs/dbraw/zinc/51/57/84/383515784.db2.gz IUJGSNDPCAFDIQ-FXPVBKGRSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]12 ZINC000261576738 383518629 /nfs/dbraw/zinc/51/86/29/383518629.db2.gz NXTXGCARTDJPBM-MISXGVKJSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]12 ZINC000261576738 383518632 /nfs/dbraw/zinc/51/86/32/383518632.db2.gz NXTXGCARTDJPBM-MISXGVKJSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625602 383530487 /nfs/dbraw/zinc/53/04/87/383530487.db2.gz DICXHHFSYABDPJ-OLMNPRSZSA-N 2 1 281.403 2.817 10 0 CFAEMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2O1 ZINC000261631507 383532472 /nfs/dbraw/zinc/53/24/72/383532472.db2.gz HSKIFPYNKNHKAW-CWRNSKLLSA-N 2 1 286.419 2.569 10 0 CFAEMP CCc1csc([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961736 383587025 /nfs/dbraw/zinc/58/70/25/383587025.db2.gz HJJJVDPGBCSJPS-CZUORRHYSA-N 2 1 293.480 2.885 10 0 CFAEMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261999819 383592707 /nfs/dbraw/zinc/59/27/07/383592707.db2.gz UKJYGVIJUGOHNG-ZKXLYKBJSA-N 2 1 294.483 2.950 10 0 CFAEMP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000262005000 383594051 /nfs/dbraw/zinc/59/40/51/383594051.db2.gz ULLHYNAEQMGBFA-HNNXBMFYSA-N 2 1 258.409 2.650 10 0 CFAEMP Cc1csc([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063141 383600950 /nfs/dbraw/zinc/60/09/50/383600950.db2.gz RINGHDUCTXKUTL-ZFWWWQNUSA-N 2 1 279.453 2.631 10 0 CFAEMP COCC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1C ZINC000248732649 393914246 /nfs/dbraw/zinc/91/42/46/393914246.db2.gz NFVQMWRNPRSEFO-HNNXBMFYSA-N 2 1 299.418 2.700 10 0 CFAEMP CC(C)n1ccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261713716 393949779 /nfs/dbraw/zinc/94/97/79/393949779.db2.gz KQWWXVNGPVIJGE-SJORKVTESA-N 2 1 298.434 2.638 10 0 CFAEMP CC(C)n1ccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261713716 393949780 /nfs/dbraw/zinc/94/97/80/393949780.db2.gz KQWWXVNGPVIJGE-SJORKVTESA-N 2 1 298.434 2.638 10 0 CFAEMP CC(C)(C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647512612 395367638 /nfs/dbraw/zinc/36/76/38/395367638.db2.gz IRJSETZHOHMZRQ-IMJJTQAJSA-N 2 1 258.409 2.633 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000247399386 287086455 /nfs/dbraw/zinc/08/64/55/287086455.db2.gz YGKRNQIXJCVJIC-HZPDHXFCSA-N 2 1 290.451 2.772 10 0 CFAEMP COc1ccccc1[C@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000020261909 171119720 /nfs/dbraw/zinc/11/97/20/171119720.db2.gz YCQDYEIKPIEVIM-CYBMUJFWSA-N 2 1 259.353 2.715 10 0 CFAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1 ZINC000020266393 171123054 /nfs/dbraw/zinc/12/30/54/171123054.db2.gz MAEFCGCEUFPEPP-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cccc1N ZINC000020383118 171173467 /nfs/dbraw/zinc/17/34/67/171173467.db2.gz HZWOFMGCAVKGPU-GFCCVEGCSA-N 2 1 250.390 2.586 10 0 CFAEMP C[N@H+](CCC(N)=[NH2+])Cc1ccc(Cl)c(Cl)c1 ZINC000020521713 171235130 /nfs/dbraw/zinc/23/51/30/171235130.db2.gz WHIFLOMWQLLCEP-UHFFFAOYSA-N 2 1 260.168 2.751 10 0 CFAEMP C[N@@H+](CCC(N)=[NH2+])Cc1ccc(Cl)c(Cl)c1 ZINC000020521713 171235132 /nfs/dbraw/zinc/23/51/32/171235132.db2.gz WHIFLOMWQLLCEP-UHFFFAOYSA-N 2 1 260.168 2.751 10 0 CFAEMP CSc1ccc([C@@H](C)[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521575 171235184 /nfs/dbraw/zinc/23/51/84/171235184.db2.gz RYQIABBYFKKBJG-LLVKDONJSA-N 2 1 250.411 2.893 10 0 CFAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCc3occc31)C2 ZINC000020524058 171236545 /nfs/dbraw/zinc/23/65/45/171236545.db2.gz FXWYKRSSDUOYOD-VYHDIPPYSA-N 2 1 260.381 2.872 10 0 CFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCc3occc31)C2 ZINC000020524058 171236546 /nfs/dbraw/zinc/23/65/46/171236546.db2.gz FXWYKRSSDUOYOD-VYHDIPPYSA-N 2 1 260.381 2.872 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccncc2)C1 ZINC000037221163 173040346 /nfs/dbraw/zinc/04/03/46/173040346.db2.gz FEFPCKRFBMESDW-ZBFHGGJFSA-N 2 1 261.413 2.682 10 0 CFAEMP C=COCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000037221605 173042325 /nfs/dbraw/zinc/04/23/25/173042325.db2.gz OBOMHMALPHXXTK-CABCVRRESA-N 2 1 254.418 2.637 10 0 CFAEMP CCC[N@@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299553 173103860 /nfs/dbraw/zinc/10/38/60/173103860.db2.gz WPAYTCGPIMUZJC-UHFFFAOYSA-N 2 1 257.381 2.796 10 0 CFAEMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037301007 173106513 /nfs/dbraw/zinc/10/65/13/173106513.db2.gz IWMFSBUMVJUBLU-UHFFFAOYSA-N 2 1 298.814 2.746 10 0 CFAEMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000665299001 414272174 /nfs/dbraw/zinc/27/21/74/414272174.db2.gz DSDIYOBXIPVGEH-QWRGUYRKSA-N 2 1 287.329 2.578 10 0 CFAEMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2c(N)cccc2C1 ZINC000038032881 174029513 /nfs/dbraw/zinc/02/95/13/174029513.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 2 1 273.424 2.501 10 0 CFAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2c(N)cccc2C1 ZINC000038032881 174029516 /nfs/dbraw/zinc/02/95/16/174029516.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 2 1 273.424 2.501 10 0 CFAEMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032881 174029520 /nfs/dbraw/zinc/02/95/20/174029520.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 2 1 273.424 2.501 10 0 CFAEMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032881 174029522 /nfs/dbraw/zinc/02/95/22/174029522.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 2 1 273.424 2.501 10 0 CFAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040593380 174347376 /nfs/dbraw/zinc/34/73/76/174347376.db2.gz NPIRFBJJVNRUIQ-ZDUSSCGKSA-N 2 1 257.381 2.599 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593392 174347813 /nfs/dbraw/zinc/34/78/13/174347813.db2.gz RVZOWRGSBZGWTD-CQSZACIVSA-N 2 1 271.408 2.908 10 0 CFAEMP CCCCCC[C@H](C[NH3+])[NH+]1CCC(OCC)CC1 ZINC000040689095 174375986 /nfs/dbraw/zinc/37/59/86/174375986.db2.gz PGNDZKHDZIKESV-CQSZACIVSA-N 2 1 256.434 2.785 10 0 CFAEMP CC[N@H+](Cc1ccc(OC)c(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747478 174392823 /nfs/dbraw/zinc/39/28/23/174392823.db2.gz OXOSEZCGQADWOR-YIONKMFJSA-N 2 1 290.407 2.506 10 0 CFAEMP CC[N@@H+](Cc1ccc(OC)c(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747478 174392824 /nfs/dbraw/zinc/39/28/24/174392824.db2.gz OXOSEZCGQADWOR-YIONKMFJSA-N 2 1 290.407 2.506 10 0 CFAEMP CC[N@@H+](CCOc1cccc(C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748216 174393246 /nfs/dbraw/zinc/39/32/46/174393246.db2.gz RXHYAPPYOWEIRH-SJPCQFCGSA-N 2 1 288.435 2.979 10 0 CFAEMP Cc1cc(C)cc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750120 174394800 /nfs/dbraw/zinc/39/48/00/174394800.db2.gz CWUWAACQROOCNF-MQVJKMGUSA-N 2 1 274.408 2.636 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000042422681 174722347 /nfs/dbraw/zinc/72/23/47/174722347.db2.gz LQDKYHLZYQVYMY-AWEZNQCLSA-N 2 1 293.386 2.501 10 0 CFAEMP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000043499055 175058094 /nfs/dbraw/zinc/05/80/94/175058094.db2.gz FYXUYNPBYKLOJY-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000043499055 175058095 /nfs/dbraw/zinc/05/80/95/175058095.db2.gz FYXUYNPBYKLOJY-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818508 175113078 /nfs/dbraw/zinc/11/30/78/175113078.db2.gz DXIQPJLKPXEMRN-SJLPKXTDSA-N 2 1 289.467 2.753 10 0 CFAEMP C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000043818137 175113110 /nfs/dbraw/zinc/11/31/10/175113110.db2.gz IUQCLWATYRSMIW-ROUUACIJSA-N 2 1 289.467 2.609 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818545 175113812 /nfs/dbraw/zinc/11/38/12/175113812.db2.gz WEGZFIPYUREHOL-IAGOWNOFSA-N 2 1 281.488 2.715 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCCCCC1 ZINC000043899795 175122102 /nfs/dbraw/zinc/12/21/02/175122102.db2.gz YQNWVEAJSGNFLG-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899795 175122103 /nfs/dbraw/zinc/12/21/03/175122103.db2.gz YQNWVEAJSGNFLG-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@H](CC)[N@H+](CC)CCOC ZINC000043968798 175129952 /nfs/dbraw/zinc/12/99/52/175129952.db2.gz JHKNYAMISYBUQO-CABCVRRESA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@H](CC)[N@@H+](CC)CCOC ZINC000043968798 175129953 /nfs/dbraw/zinc/12/99/53/175129953.db2.gz JHKNYAMISYBUQO-CABCVRRESA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)CCOC ZINC000043968743 175129961 /nfs/dbraw/zinc/12/99/61/175129961.db2.gz MLQKTXLPTXUWHC-ZNMIVQPWSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968743 175129962 /nfs/dbraw/zinc/12/99/62/175129962.db2.gz MLQKTXLPTXUWHC-ZNMIVQPWSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970725 175132213 /nfs/dbraw/zinc/13/22/13/175132213.db2.gz VLPBUHDBVQKQEK-IAGOWNOFSA-N 3 1 283.504 2.817 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH2+]CC)C1 ZINC000043971248 175132932 /nfs/dbraw/zinc/13/29/32/175132932.db2.gz VXSYMSMBCHYAHK-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH2+]CC)C1 ZINC000043971248 175132933 /nfs/dbraw/zinc/13/29/33/175132933.db2.gz VXSYMSMBCHYAHK-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cc[nH+]c2C)c1 ZINC000043994087 175136355 /nfs/dbraw/zinc/13/63/55/175136355.db2.gz WXZIFHGVPZQUNK-NSHDSACASA-N 2 1 259.353 2.529 10 0 CFAEMP CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1C ZINC000043993685 175136359 /nfs/dbraw/zinc/13/63/59/175136359.db2.gz OOWPLTKEDCAZGI-HOCLYGCPSA-N 2 1 271.364 2.866 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccccc1OCC ZINC000043994311 175136368 /nfs/dbraw/zinc/13/63/68/175136368.db2.gz WLKSKCPOQPSJBV-OAHLLOKOSA-N 2 1 273.380 2.941 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]C ZINC000044036566 175139794 /nfs/dbraw/zinc/13/97/94/175139794.db2.gz RMYFCJSRIKARPV-NVXWUHKLSA-N 2 1 285.391 2.902 10 0 CFAEMP CCn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000044528023 175192435 /nfs/dbraw/zinc/19/24/35/175192435.db2.gz VUSIHJGEACDCPX-AWEZNQCLSA-N 2 1 271.408 2.832 10 0 CFAEMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533920 175197776 /nfs/dbraw/zinc/19/77/76/175197776.db2.gz QSWDLODFYLWFJR-LLVKDONJSA-N 2 1 296.798 2.500 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533920 175197777 /nfs/dbraw/zinc/19/77/77/175197777.db2.gz QSWDLODFYLWFJR-LLVKDONJSA-N 2 1 296.798 2.500 10 0 CFAEMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000044533187 175197969 /nfs/dbraw/zinc/19/79/69/175197969.db2.gz ZWWLOLCCNQTHBH-AWEZNQCLSA-N 2 1 292.423 2.525 10 0 CFAEMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1OC ZINC000044533187 175197970 /nfs/dbraw/zinc/19/79/70/175197970.db2.gz ZWWLOLCCNQTHBH-AWEZNQCLSA-N 2 1 292.423 2.525 10 0 CFAEMP C[N@H+]1CCCC[C@H]1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000044563655 175206672 /nfs/dbraw/zinc/20/66/72/175206672.db2.gz OFQLYUKXMLNCFX-JTQLQIEISA-N 2 1 278.787 2.756 10 0 CFAEMP CC(C)C[C@H]1CSC(NC[C@@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563824 175207231 /nfs/dbraw/zinc/20/72/31/175207231.db2.gz FBTFJIXHLHOKDE-STQMWFEESA-N 2 1 269.458 2.578 10 0 CFAEMP CC(C)C[C@@H]1CSC(NC[C@@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563822 175207285 /nfs/dbraw/zinc/20/72/85/175207285.db2.gz FBTFJIXHLHOKDE-OLZOCXBDSA-N 2 1 269.458 2.578 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000044747271 175242627 /nfs/dbraw/zinc/24/26/27/175242627.db2.gz HKRYZWVMGIUHNY-GOSISDBHSA-N 2 1 286.419 2.986 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045168743 175319725 /nfs/dbraw/zinc/31/97/25/175319725.db2.gz NAAMGHYABMOBPG-LBPRGKRZSA-N 2 1 278.444 2.560 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1C ZINC000045171400 175321216 /nfs/dbraw/zinc/32/12/16/175321216.db2.gz ZOXGKNXTKBCFBQ-WFASDCNBSA-N 2 1 278.444 2.512 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368267 175363301 /nfs/dbraw/zinc/36/33/01/175363301.db2.gz ZWRIQBUJSLXTRS-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368267 175363302 /nfs/dbraw/zinc/36/33/02/175363302.db2.gz ZWRIQBUJSLXTRS-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045372462 175364876 /nfs/dbraw/zinc/36/48/76/175364876.db2.gz CRMZXNVJORGOBH-KRWDZBQOSA-N 2 1 297.487 2.663 10 0 CFAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379096 175368380 /nfs/dbraw/zinc/36/83/80/175368380.db2.gz WMRZBJMMZQHCMG-QGZVFWFLSA-N 2 1 297.487 2.663 10 0 CFAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379094 175368661 /nfs/dbraw/zinc/36/86/61/175368661.db2.gz WMRZBJMMZQHCMG-KRWDZBQOSA-N 2 1 297.487 2.663 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379578 175368791 /nfs/dbraw/zinc/36/87/91/175368791.db2.gz JNKPSXFCAHLJOH-DZKIICNBSA-N 2 1 284.444 2.700 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384734 175371829 /nfs/dbraw/zinc/37/18/29/175371829.db2.gz JZLRKWPSSHAYDH-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384734 175371830 /nfs/dbraw/zinc/37/18/30/175371830.db2.gz JZLRKWPSSHAYDH-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)[C@@H](C)CC ZINC000045385256 175372014 /nfs/dbraw/zinc/37/20/14/175372014.db2.gz PEPNCEMOBPYUMF-ZFWWWQNUSA-N 2 1 272.433 2.558 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384686 175372325 /nfs/dbraw/zinc/37/23/25/175372325.db2.gz ADCYDYRBCZOQCW-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384686 175372326 /nfs/dbraw/zinc/37/23/26/175372326.db2.gz ADCYDYRBCZOQCW-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388509 175373993 /nfs/dbraw/zinc/37/39/93/175373993.db2.gz HUTRMPBXRXGWQR-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388509 175373994 /nfs/dbraw/zinc/37/39/94/175373994.db2.gz HUTRMPBXRXGWQR-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045391963 175375344 /nfs/dbraw/zinc/37/53/44/175375344.db2.gz HGNHIRFMZRAFJP-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045391963 175375346 /nfs/dbraw/zinc/37/53/46/175375346.db2.gz HGNHIRFMZRAFJP-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP COC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)C1CCCCCC1 ZINC000045419127 175377371 /nfs/dbraw/zinc/37/73/71/175377371.db2.gz LPIGTNWVZGKROD-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP CC1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000130600339 264360759 /nfs/dbraw/zinc/36/07/59/264360759.db2.gz QAOCKPFJSTZORK-NEADZQPHSA-N 2 1 250.430 2.872 10 0 CFAEMP CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261964425 278584044 /nfs/dbraw/zinc/58/40/44/278584044.db2.gz PXLLBLFEAOBESN-BZUAXINKSA-N 2 1 282.472 2.950 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261624178 288153629 /nfs/dbraw/zinc/15/36/29/288153629.db2.gz VAJWXVLSZRMPEZ-QCEMKRCNSA-N 2 1 262.372 2.946 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[C@@H](C)O3)C2)[nH+]1 ZINC000249096058 281246020 /nfs/dbraw/zinc/24/60/20/281246020.db2.gz OQZYLXNSZOCPHC-OWCLPIDISA-N 2 1 289.423 2.691 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[C@@H](C)O3)C2)[nH+]1 ZINC000249096058 281246021 /nfs/dbraw/zinc/24/60/21/281246021.db2.gz OQZYLXNSZOCPHC-OWCLPIDISA-N 2 1 289.423 2.691 10 0 CFAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261551929 295237969 /nfs/dbraw/zinc/23/79/69/295237969.db2.gz AOMYZDMSQMGTMT-QWHCGFSZSA-N 2 1 260.372 2.873 10 0 CFAEMP [NH3+]C[C@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000053663290 295270128 /nfs/dbraw/zinc/27/01/28/295270128.db2.gz BYPACBNOXPDNJL-LLVKDONJSA-N 2 1 261.756 2.816 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000571194039 322574530 /nfs/dbraw/zinc/57/45/30/322574530.db2.gz NUKKDZGXJNJUNJ-VXGBXAGGSA-N 2 1 284.350 2.766 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507524 519912897 /nfs/dbraw/zinc/91/28/97/519912897.db2.gz YPKUDLABHJBTDT-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372896 519920183 /nfs/dbraw/zinc/92/01/83/519920183.db2.gz MGTHIQOICXPFTI-CQSZACIVSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000052373171 520021740 /nfs/dbraw/zinc/02/17/40/520021740.db2.gz GIHUHCNGLLLMKU-NEPJUHHUSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000052373171 520021749 /nfs/dbraw/zinc/02/17/49/520021749.db2.gz GIHUHCNGLLLMKU-NEPJUHHUSA-N 2 1 267.442 2.873 10 0 CFAEMP CCCC[N@H+](C)Cc1csc(C[NH2+]CCC)n1 ZINC000052417839 520421085 /nfs/dbraw/zinc/42/10/85/520421085.db2.gz IZOIVYFJYLMWTE-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP CCCC[N@@H+](C)Cc1csc(C[NH2+]CCC)n1 ZINC000052417839 520421091 /nfs/dbraw/zinc/42/10/91/520421091.db2.gz IZOIVYFJYLMWTE-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP CCCC[N@H+](CC)Cc1csc(C[NH2+]CC)n1 ZINC000052418640 520479188 /nfs/dbraw/zinc/47/91/88/520479188.db2.gz FDARZWACRPBCKS-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP CCCC[N@@H+](CC)Cc1csc(C[NH2+]CC)n1 ZINC000052418640 520479191 /nfs/dbraw/zinc/47/91/91/520479191.db2.gz FDARZWACRPBCKS-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP C[NH2+]Cc1oc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000052373524 522161621 /nfs/dbraw/zinc/16/16/21/522161621.db2.gz YENPHMFHLWGXIP-AAEUAGOBSA-N 2 1 250.386 2.928 10 0 CFAEMP CC(C)[NH+]1CCN([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480098 519682895 /nfs/dbraw/zinc/68/28/95/519682895.db2.gz YYAWDAVECQIPEG-OAHLLOKOSA-N 2 1 269.477 2.569 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)Cc1ccc(C[NH2+]C2CC2)o1 ZINC000052503320 519716808 /nfs/dbraw/zinc/71/68/08/519716808.db2.gz XUCHVKBRXILPKZ-UHFFFAOYSA-N 2 1 293.455 2.551 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C[NH2+]C2CC2)o1 ZINC000052503320 519716810 /nfs/dbraw/zinc/71/68/10/519716810.db2.gz XUCHVKBRXILPKZ-UHFFFAOYSA-N 2 1 293.455 2.551 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181743 519719780 /nfs/dbraw/zinc/71/97/80/519719780.db2.gz NGGHOUSCNCRBCT-HNNXBMFYSA-N 2 1 270.461 2.758 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416600 519723738 /nfs/dbraw/zinc/72/37/38/519723738.db2.gz WQZJDDMFHOTRLO-GJZGRUSLSA-N 2 1 294.464 2.652 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456390 519746449 /nfs/dbraw/zinc/74/64/49/519746449.db2.gz RDIYPSSFKQKOMS-CABCVRRESA-N 2 1 296.480 2.973 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000052476056 519747233 /nfs/dbraw/zinc/74/72/33/519747233.db2.gz VZIOBTIGVPLCFH-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC000052476056 519747234 /nfs/dbraw/zinc/74/72/34/519747234.db2.gz VZIOBTIGVPLCFH-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197553 519852248 /nfs/dbraw/zinc/85/22/48/519852248.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 2 1 283.504 2.673 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197553 519852251 /nfs/dbraw/zinc/85/22/51/519852251.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 2 1 283.504 2.673 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197553 519852253 /nfs/dbraw/zinc/85/22/53/519852253.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 2 1 283.504 2.673 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023467 519880777 /nfs/dbraw/zinc/88/07/77/519880777.db2.gz DGYBSQXTNNMZHW-ZDUSSCGKSA-N 2 1 256.353 2.922 10 0 CFAEMP CCC[NH2+]CCCCC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052571143 519912507 /nfs/dbraw/zinc/91/25/07/519912507.db2.gz PWMIJQQSDOKZGU-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)OCC[C@@H]1CCC[N@H+]1C ZINC000052673526 519913544 /nfs/dbraw/zinc/91/35/44/519913544.db2.gz ZLKHIURTUZJFIU-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416596 519924873 /nfs/dbraw/zinc/92/48/73/519924873.db2.gz UGSXMYQAZNSUGG-GJZGRUSLSA-N 2 1 294.464 2.653 10 0 CFAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372971 519927600 /nfs/dbraw/zinc/92/76/00/519927600.db2.gz CQNXCEICVNPLLF-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482374 519956149 /nfs/dbraw/zinc/95/61/49/519956149.db2.gz CZOKFEYTKMJZOQ-VVLHAWIVSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482377 519979487 /nfs/dbraw/zinc/97/94/87/519979487.db2.gz CZOKFEYTKMJZOQ-HZMVEIRTSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CCC(C)CC2)O1 ZINC000052345452 519979945 /nfs/dbraw/zinc/97/99/45/519979945.db2.gz FFTJRPYKSYDJON-QDIHITRGSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)CCc1ccncc1 ZINC000045600784 519984332 /nfs/dbraw/zinc/98/43/32/519984332.db2.gz YKAFORMTYLMZLC-HNNXBMFYSA-N 2 1 263.429 2.724 10 0 CFAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000052483070 520003977 /nfs/dbraw/zinc/00/39/77/520003977.db2.gz QQSDPAWSAKUUTO-UHFFFAOYSA-N 2 1 283.419 2.866 10 0 CFAEMP CC[NH2+]Cc1coc(C[N@@H+](CCOC)[C@@H](C)CC)c1 ZINC000052547372 520017419 /nfs/dbraw/zinc/01/74/19/520017419.db2.gz IKZRRSPBIYPGFR-ZDUSSCGKSA-N 2 1 268.401 2.636 10 0 CFAEMP CCO[C@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)C1 ZINC000052372264 520526793 /nfs/dbraw/zinc/52/67/93/520526793.db2.gz LFPDEJFMINKCDG-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181883 520646040 /nfs/dbraw/zinc/64/60/40/520646040.db2.gz DJSJLJZHLIIRFY-OAHLLOKOSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@H](C)COC ZINC000052504910 521290337 /nfs/dbraw/zinc/29/03/37/521290337.db2.gz XTVSVFCAUTYWIH-CYBMUJFWSA-N 2 1 268.401 2.634 10 0 CFAEMP CCC(C)(C)[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000069435451 521304649 /nfs/dbraw/zinc/30/46/49/521304649.db2.gz OZOFUNWMPPRCDW-UHFFFAOYSA-N 2 1 251.349 2.730 10 0 CFAEMP CCC(C)(C)NC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049281640 521315355 /nfs/dbraw/zinc/31/53/55/521315355.db2.gz FQILVGWMQBIWNH-UHFFFAOYSA-N 2 1 297.487 2.665 10 0 CFAEMP CCC[N@@H+](CCOc1ccccc1C[NH2+]C)C(C)C ZINC000052450359 521668872 /nfs/dbraw/zinc/66/88/72/521668872.db2.gz UNKDDAWGKFQSNX-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[NH2+]CC1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181999 521972800 /nfs/dbraw/zinc/97/28/00/521972800.db2.gz HRTNYQROAJHXID-HZPDHXFCSA-N 2 1 280.456 2.515 10 0 CFAEMP CC[C@@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052443930 522063075 /nfs/dbraw/zinc/06/30/75/522063075.db2.gz XFXORQISXCWEOO-LLVKDONJSA-N 2 1 255.431 2.871 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052443930 522063081 /nfs/dbraw/zinc/06/30/81/522063081.db2.gz XFXORQISXCWEOO-LLVKDONJSA-N 2 1 255.431 2.871 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CC[C@H](C)C1 ZINC000052484563 522104846 /nfs/dbraw/zinc/10/48/46/522104846.db2.gz ILMMSQKYRKXGOA-LBPRGKRZSA-N 2 1 258.365 2.994 10 0 CFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCc2ccccc2C1 ZINC000052419180 522136988 /nfs/dbraw/zinc/13/69/88/522136988.db2.gz WJMWUIOLBIXXDD-UHFFFAOYSA-N 2 1 266.388 2.964 10 0 CFAEMP C[N@@H+](C[C@H]1CCCCO1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016561 523109826 /nfs/dbraw/zinc/10/98/26/523109826.db2.gz HGKSCLSKROOFGJ-CVEARBPZSA-N 2 1 262.397 2.577 10 0 CFAEMP C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231670670 523161425 /nfs/dbraw/zinc/16/14/25/523161425.db2.gz RXUYQRCDCJANPA-HNNXBMFYSA-N 2 1 285.391 2.916 10 0 CFAEMP C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231670670 523161437 /nfs/dbraw/zinc/16/14/37/523161437.db2.gz RXUYQRCDCJANPA-HNNXBMFYSA-N 2 1 285.391 2.916 10 0 CFAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCC[NH2+]CC(C)C ZINC000052570770 523344553 /nfs/dbraw/zinc/34/45/53/523344553.db2.gz CLXZZSVIXMYVTR-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000052206100 523797548 /nfs/dbraw/zinc/79/75/48/523797548.db2.gz VRDFPXUICOBHMD-ZDUSSCGKSA-N 2 1 268.351 2.929 10 0 CFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000052206100 523797554 /nfs/dbraw/zinc/79/75/54/523797554.db2.gz VRDFPXUICOBHMD-ZDUSSCGKSA-N 2 1 268.351 2.929 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052454105 523870325 /nfs/dbraw/zinc/87/03/25/523870325.db2.gz CBQHYWPRNGAHNJ-ZDUSSCGKSA-N 2 1 267.417 2.898 10 0 CFAEMP CC[C@H](C)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181193 523914670 /nfs/dbraw/zinc/91/46/70/523914670.db2.gz JGUGXHJKHIHXOG-AWEZNQCLSA-N 2 1 270.461 2.902 10 0 CFAEMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011075 523950999 /nfs/dbraw/zinc/95/09/99/523950999.db2.gz BVHMACQMJWUDGT-INIZCTEOSA-N 2 1 276.424 2.558 10 0 CFAEMP COc1ccc(C[N@@H+](C)C[C@H](C)C[NH2+]C(C)C)cc1 ZINC000052541577 524004558 /nfs/dbraw/zinc/00/45/58/524004558.db2.gz OETSLQVGMACXKV-CQSZACIVSA-N 2 1 264.413 2.761 10 0 CFAEMP C[C@H]1CCC[N@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180451 524120254 /nfs/dbraw/zinc/12/02/54/524120254.db2.gz GRNACYBJYVQEPP-AWEZNQCLSA-N 2 1 268.445 2.656 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000049553561 524475018 /nfs/dbraw/zinc/47/50/18/524475018.db2.gz YVEUPOKDTIQGNL-ZDUSSCGKSA-N 2 1 272.396 2.507 10 0 CFAEMP Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602223 524485133 /nfs/dbraw/zinc/48/51/33/524485133.db2.gz QQDXHUWAIXOHIA-YHWZYXNKSA-N 2 1 250.411 2.901 10 0 CFAEMP C[C@@H](C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482240 524733265 /nfs/dbraw/zinc/73/32/65/524733265.db2.gz BUTQTPYLARMFDV-SOUVJXGZSA-N 2 1 250.430 2.887 10 0 CFAEMP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049147241 524747297 /nfs/dbraw/zinc/74/72/97/524747297.db2.gz FGERNSDYMMBRHQ-HOSILWTGSA-N 2 1 262.397 2.721 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052382544 524982514 /nfs/dbraw/zinc/98/25/14/524982514.db2.gz WRNWFNAUXJOKNQ-LLVKDONJSA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052382544 524982523 /nfs/dbraw/zinc/98/25/23/524982523.db2.gz WRNWFNAUXJOKNQ-LLVKDONJSA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@]1(CNc2cc[nH+]cc2Br)CCC[NH2+]C1 ZINC000159927635 525270784 /nfs/dbraw/zinc/27/07/84/525270784.db2.gz JMGXBOFSZDZYQN-LBPRGKRZSA-N 2 1 284.201 2.646 10 0 CFAEMP c1cc(C[NH2+]C2CC2)cc(C[N@H+]2CCCSCC2)c1 ZINC000052371023 526426922 /nfs/dbraw/zinc/42/69/22/526426922.db2.gz CNFYDHUTPCGSQZ-UHFFFAOYSA-N 2 1 276.449 2.878 10 0 CFAEMP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CC[C@H](C)C1 ZINC000052484665 526775302 /nfs/dbraw/zinc/77/53/02/526775302.db2.gz HVKYIMHLLGAGPF-LBPRGKRZSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1nc(C[N@H+](C)CCC[C@H]2CCCC[NH2+]2)cs1 ZINC000050953968 526839111 /nfs/dbraw/zinc/83/91/11/526839111.db2.gz MQNNKCBCCBWDAD-CYBMUJFWSA-N 2 1 267.442 2.806 10 0 CFAEMP Cc1nc(C[N@@H+](C)CCC[C@H]2CCCC[NH2+]2)cs1 ZINC000050953968 526839115 /nfs/dbraw/zinc/83/91/15/526839115.db2.gz MQNNKCBCCBWDAD-CYBMUJFWSA-N 2 1 267.442 2.806 10 0 CFAEMP [NH3+]C[C@@]1([NH+]2CCCCC2)CCC[C@@H](C(F)(F)F)C1 ZINC000069383200 527222821 /nfs/dbraw/zinc/22/28/21/527222821.db2.gz MWSDPXRVXKJOOJ-VXGBXAGGSA-N 2 1 264.335 2.922 10 0 CFAEMP [NH3+]C[C@]1([NH+]2CCCCC2)CCC[C@H](C(F)(F)F)C1 ZINC000069383197 527243191 /nfs/dbraw/zinc/24/31/91/527243191.db2.gz MWSDPXRVXKJOOJ-RYUDHWBXSA-N 2 1 264.335 2.922 10 0 CFAEMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261578438 618107261 /nfs/dbraw/zinc/10/72/61/618107261.db2.gz OZDCXKTYZXGMPI-GHMZBOCLSA-N 2 1 264.335 2.649 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccsc3Cl)C[C@@H]12 ZINC000261809431 618149299 /nfs/dbraw/zinc/14/92/99/618149299.db2.gz HOIKUEPLZJAUSN-JMJZKYOTSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@@H]12 ZINC000261809431 618149300 /nfs/dbraw/zinc/14/93/00/618149300.db2.gz HOIKUEPLZJAUSN-JMJZKYOTSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]12 ZINC000261622365 619179485 /nfs/dbraw/zinc/17/94/85/619179485.db2.gz UUTKRDGQVKBBPZ-MGPQQGTHSA-N 2 1 266.335 2.793 10 0 CFAEMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCOc2ccccc21 ZINC000251171382 650985064 /nfs/dbraw/zinc/98/50/64/650985064.db2.gz FBXIWRFZPNFKFI-IPYPFGDCSA-N 2 1 260.381 2.630 10 0 CFAEMP CC[C@@H]1C[NH2+]C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096950603 185139973 /nfs/dbraw/zinc/13/99/73/185139973.db2.gz RVKLADLAEWNDNI-SJORKVTESA-N 2 1 258.409 2.898 10 0 CFAEMP CC(C)[C@H]1C[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096950612 185140131 /nfs/dbraw/zinc/14/01/31/185140131.db2.gz QWGFDMSULJILOD-SJORKVTESA-N 2 1 258.409 2.754 10 0 CFAEMP Clc1ccc2[nH+]ccc(N3CCC[NH2+]CC3)c2c1 ZINC000073738674 282526073 /nfs/dbraw/zinc/52/60/73/282526073.db2.gz VCFPTGAAURLHQQ-UHFFFAOYSA-N 2 1 261.756 2.688 10 0 CFAEMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818723 179347558 /nfs/dbraw/zinc/34/75/58/179347558.db2.gz NVKGHPNIJMKZNI-GOEBONIOSA-N 2 1 276.424 2.700 10 0 CFAEMP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818697 179347669 /nfs/dbraw/zinc/34/76/69/179347669.db2.gz ZERAVGKIJQXAQZ-STQMWFEESA-N 2 1 282.378 2.970 10 0 CFAEMP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)s1 ZINC000086818861 179348106 /nfs/dbraw/zinc/34/81/06/179348106.db2.gz ZPWQWTUYAFVUBQ-YPMHNXCESA-N 2 1 267.442 2.895 10 0 CFAEMP C[N@H+]1CCC[C@](C[NH3+])(N(Cc2cccs2)C2CC2)CC1 ZINC000086819427 179348238 /nfs/dbraw/zinc/34/82/38/179348238.db2.gz SXUNCWYTHDSPIU-INIZCTEOSA-N 2 1 293.480 2.526 10 0 CFAEMP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818856 179348727 /nfs/dbraw/zinc/34/87/27/179348727.db2.gz PVHSENGPMZWTFL-HOTGVXAUSA-N 2 1 276.424 2.836 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000086817438 179345038 /nfs/dbraw/zinc/34/50/38/179345038.db2.gz BCJRZHHZWJHMFI-QGZVFWFLSA-N 2 1 287.451 2.513 10 0 CFAEMP CC(C)CN(C(C)C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848107 179356524 /nfs/dbraw/zinc/35/65/24/179356524.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[N@H+](C(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848107 179356525 /nfs/dbraw/zinc/35/65/25/179356525.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[N@@H+](C(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848107 179356526 /nfs/dbraw/zinc/35/65/26/179356526.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[NH+](C(C)C)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848107 179356527 /nfs/dbraw/zinc/35/65/27/179356527.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)C[NH+](C(C)C)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848107 179356529 /nfs/dbraw/zinc/35/65/29/179356529.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 1 283.504 2.945 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847615 179356680 /nfs/dbraw/zinc/35/66/80/179356680.db2.gz WGHWNZCVECGKMY-KRWDZBQOSA-N 2 1 293.455 2.613 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848439 179356974 /nfs/dbraw/zinc/35/69/74/179356974.db2.gz WHVBRQDGMRDMSQ-GOSISDBHSA-N 2 1 287.451 2.596 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845363 179354293 /nfs/dbraw/zinc/35/42/93/179354293.db2.gz AZJRRPJRPVDISC-GOEBONIOSA-N 2 1 274.408 2.974 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845363 179354295 /nfs/dbraw/zinc/35/42/95/179354295.db2.gz AZJRRPJRPVDISC-GOEBONIOSA-N 2 1 274.408 2.974 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845135 179355277 /nfs/dbraw/zinc/35/52/77/179355277.db2.gz JMCJSKNFJKYAFO-ZDUSSCGKSA-N 2 1 267.442 2.540 10 0 CFAEMP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@H+](C(C)C)CC1 ZINC000086868542 179360762 /nfs/dbraw/zinc/36/07/62/179360762.db2.gz VIXUTIJMTLAAFX-QGZVFWFLSA-N 2 1 298.471 2.915 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCCS1 ZINC000307365195 348398733 /nfs/dbraw/zinc/39/87/33/348398733.db2.gz LTKYCCNAQKTKKA-UKRRQHHQSA-N 2 1 289.448 2.589 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCCS1 ZINC000307365195 348398737 /nfs/dbraw/zinc/39/87/37/348398737.db2.gz LTKYCCNAQKTKKA-UKRRQHHQSA-N 2 1 289.448 2.589 10 0 CFAEMP C[NH2+][C@@H]1Cc2cc3ccccc3cc2C[C@H]1[NH+]1CCCC1 ZINC000584624924 348694212 /nfs/dbraw/zinc/69/42/12/348694212.db2.gz MZECVMAQPPACLB-RTBURBONSA-N 2 1 280.415 2.991 10 0 CFAEMP c1ccc(C[NH+]2CCC3(CC2)CC=CCC[NH2+]3)cc1 ZINC000090751118 180035367 /nfs/dbraw/zinc/03/53/67/180035367.db2.gz WHTKKCFWIIFSBW-UHFFFAOYSA-N 2 1 256.393 2.961 10 0 CFAEMP CCn1cccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000091022400 180088876 /nfs/dbraw/zinc/08/88/76/180088876.db2.gz FYTPZNJRUVBRMV-OAHLLOKOSA-N 2 1 263.429 2.862 10 0 CFAEMP CCn1cccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000091022400 180088879 /nfs/dbraw/zinc/08/88/79/180088879.db2.gz FYTPZNJRUVBRMV-OAHLLOKOSA-N 2 1 263.429 2.862 10 0 CFAEMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000122629517 187042371 /nfs/dbraw/zinc/04/23/71/187042371.db2.gz SRNWGIXIEKERKA-UHFFFAOYSA-N 2 1 287.411 2.574 10 0 CFAEMP Nc1cc(C2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000616620453 352387377 /nfs/dbraw/zinc/38/73/77/352387377.db2.gz AGHUJVJXJKKEOC-UHFFFAOYSA-N 2 1 267.376 2.874 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837193 355600104 /nfs/dbraw/zinc/60/01/04/355600104.db2.gz OLXWCQXODUWWFW-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837193 355600108 /nfs/dbraw/zinc/60/01/08/355600108.db2.gz OLXWCQXODUWWFW-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839432 355601493 /nfs/dbraw/zinc/60/14/93/355601493.db2.gz GGTBHWBVUCSIOJ-SWLSCSKDSA-N 2 1 269.392 2.570 10 0 CFAEMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n1 ZINC000328899618 202104223 /nfs/dbraw/zinc/10/42/23/202104223.db2.gz XNEWCRGDSHCIJP-LLVKDONJSA-N 2 1 299.403 2.794 10 0 CFAEMP c1c[nH]c([C@@H]2CCCN(Cc3nc4cccnc4s3)C2)n1 ZINC000328899618 202104227 /nfs/dbraw/zinc/10/42/27/202104227.db2.gz XNEWCRGDSHCIJP-LLVKDONJSA-N 2 1 299.403 2.794 10 0 CFAEMP CCc1cc(NCc2ccc(C[NH3+])cc2F)nc(C)[nH+]1 ZINC000088759981 540304503 /nfs/dbraw/zinc/30/45/03/540304503.db2.gz COKQAPUKBCRXBN-UHFFFAOYSA-N 2 1 274.343 2.557 10 0 CFAEMP C[NH2+]CCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000163951873 283508530 /nfs/dbraw/zinc/50/85/30/283508530.db2.gz XRAGLJDRACHIOD-UHFFFAOYSA-N 2 1 298.228 2.670 10 0 CFAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)[C@H](C[NH3+])C1 ZINC000381762991 540700006 /nfs/dbraw/zinc/70/00/06/540700006.db2.gz XIQGTQDYTILHSO-AGIUHOORSA-N 2 1 260.372 2.871 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@H](C[NH3+])C1 ZINC000381762991 540700011 /nfs/dbraw/zinc/70/00/11/540700011.db2.gz XIQGTQDYTILHSO-AGIUHOORSA-N 2 1 260.372 2.871 10 0 CFAEMP Cc1ncsc1CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331706 189107600 /nfs/dbraw/zinc/10/76/00/189107600.db2.gz OGJQBZZPZIXYCM-CQSZACIVSA-N 2 1 290.436 2.664 10 0 CFAEMP Cc1ncsc1CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331706 189107601 /nfs/dbraw/zinc/10/76/01/189107601.db2.gz OGJQBZZPZIXYCM-CQSZACIVSA-N 2 1 290.436 2.664 10 0 CFAEMP [NH3+][C@@H](c1ccccc1)c1cccc(CC[NH+]2CCOCC2)c1 ZINC000029405881 372379064 /nfs/dbraw/zinc/37/90/64/372379064.db2.gz IQLGZGZESASNRC-IBGZPJMESA-N 2 1 296.414 2.609 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234264 372506459 /nfs/dbraw/zinc/50/64/59/372506459.db2.gz KAXQIIGCHQPXCF-MSOLQXFVSA-N 2 1 266.388 2.861 10 0 CFAEMP CC1CCC(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000089576357 374924770 /nfs/dbraw/zinc/92/47/70/374924770.db2.gz VGKOJESADWIYNR-NRXISQOPSA-N 2 1 250.430 2.887 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)s1 ZINC000151342904 378318948 /nfs/dbraw/zinc/31/89/48/378318948.db2.gz RAHUZOHOXGUNTQ-KBPBESRZSA-N 2 1 296.480 2.808 10 0 CFAEMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974813 380498250 /nfs/dbraw/zinc/49/82/50/380498250.db2.gz UYJMARFUNRXXPG-HOTGVXAUSA-N 2 1 280.456 2.656 10 0 CFAEMP CCc1csc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979836 380498269 /nfs/dbraw/zinc/49/82/69/380498269.db2.gz ULCIKTNJGSRARI-AWEZNQCLSA-N 2 1 293.480 2.885 10 0 CFAEMP C[C@@H]([NH2+]Cc1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000400457646 380862027 /nfs/dbraw/zinc/86/20/27/380862027.db2.gz SVZOBNZXYWININ-RKDXNWHRSA-N 2 1 289.242 2.598 10 0 CFAEMP CC[N@H+](CCO)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000302214187 382215990 /nfs/dbraw/zinc/21/59/90/382215990.db2.gz GIGPAAPDFKJZOO-UHFFFAOYSA-N 2 1 293.798 2.614 10 0 CFAEMP CC[N@@H+](CCO)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000302214187 382215999 /nfs/dbraw/zinc/21/59/99/382215999.db2.gz GIGPAAPDFKJZOO-UHFFFAOYSA-N 2 1 293.798 2.614 10 0 CFAEMP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000188407076 382408130 /nfs/dbraw/zinc/40/81/30/382408130.db2.gz AYBNOGYRRMWTCY-OAHLLOKOSA-N 2 1 273.355 2.995 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768428 382516313 /nfs/dbraw/zinc/51/63/13/382516313.db2.gz RDSDYFNRWQGTFM-VBNZEHGJSA-N 2 1 294.826 2.778 10 0 CFAEMP CC(C)CC[N@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328605798 382552885 /nfs/dbraw/zinc/55/28/85/382552885.db2.gz PEKFECUAQKDAKC-MRXNPFEDSA-N 2 1 261.413 2.539 10 0 CFAEMP C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231462751 382865488 /nfs/dbraw/zinc/86/54/88/382865488.db2.gz GOWSWWLDSIAZTM-AWEZNQCLSA-N 2 1 254.324 2.539 10 0 CFAEMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231462751 382865489 /nfs/dbraw/zinc/86/54/89/382865489.db2.gz GOWSWWLDSIAZTM-AWEZNQCLSA-N 2 1 254.324 2.539 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCO3)C2)[nH+]1 ZINC000249501051 383348660 /nfs/dbraw/zinc/34/86/60/383348660.db2.gz XEFPSNNMUMOWBB-JKSUJKDBSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)[nH+]1 ZINC000249501051 383348663 /nfs/dbraw/zinc/34/86/63/383348663.db2.gz XEFPSNNMUMOWBB-JKSUJKDBSA-N 2 1 289.423 2.693 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]12 ZINC000261544068 383508927 /nfs/dbraw/zinc/50/89/27/383508927.db2.gz DOMIDBLGXCYVRU-FPMFFAJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]12 ZINC000261544068 383508929 /nfs/dbraw/zinc/50/89/29/383508929.db2.gz DOMIDBLGXCYVRU-FPMFFAJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]12 ZINC000261573415 383516407 /nfs/dbraw/zinc/51/64/07/383516407.db2.gz IUJGSNDPCAFDIQ-WCABBAIRSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]12 ZINC000261573415 383516413 /nfs/dbraw/zinc/51/64/13/383516413.db2.gz IUJGSNDPCAFDIQ-WCABBAIRSA-N 2 1 256.802 2.571 10 0 CFAEMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261572926 383516435 /nfs/dbraw/zinc/51/64/35/383516435.db2.gz MBPQEHJUSWTSJC-AEGPPILISA-N 2 1 262.422 2.578 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]12 ZINC000261577687 383518376 /nfs/dbraw/zinc/51/83/76/383518376.db2.gz LIIKPKRQEJGKEX-FBIMIBRVSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]12 ZINC000261577687 383518380 /nfs/dbraw/zinc/51/83/80/383518380.db2.gz LIIKPKRQEJGKEX-FBIMIBRVSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]12 ZINC000261577689 383518597 /nfs/dbraw/zinc/51/85/97/383518597.db2.gz LIIKPKRQEJGKEX-JMJZKYOTSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]12 ZINC000261577689 383518601 /nfs/dbraw/zinc/51/86/01/383518601.db2.gz LIIKPKRQEJGKEX-JMJZKYOTSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]12 ZINC000261585624 383521134 /nfs/dbraw/zinc/52/11/34/383521134.db2.gz TYECUIZXRZMLNE-GAJTVXKRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]12 ZINC000261585624 383521136 /nfs/dbraw/zinc/52/11/36/383521136.db2.gz TYECUIZXRZMLNE-GAJTVXKRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587133 383521329 /nfs/dbraw/zinc/52/13/29/383521329.db2.gz JGQBVUVZNKZMQW-BPLDGKMQSA-N 2 1 256.349 2.602 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(N)c3)C2)[nH+]1 ZINC000261648137 383536535 /nfs/dbraw/zinc/53/65/35/383536535.db2.gz HKUMRKCGUVSYQK-INIZCTEOSA-N 2 1 296.418 2.906 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(N)c3)C2)[nH+]1 ZINC000261648137 383536539 /nfs/dbraw/zinc/53/65/39/383536539.db2.gz HKUMRKCGUVSYQK-INIZCTEOSA-N 2 1 296.418 2.906 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261876407 383574620 /nfs/dbraw/zinc/57/46/20/383574620.db2.gz ZTQMTLAULHEPTP-BHYGNILZSA-N 2 1 274.408 2.645 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261944219 383583754 /nfs/dbraw/zinc/58/37/54/383583754.db2.gz NHQDXXOIGPWHQA-SFFUCWETSA-N 2 1 294.483 2.950 10 0 CFAEMP CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262004327 383593420 /nfs/dbraw/zinc/59/34/20/383593420.db2.gz UWRMPMMHSWTJPZ-ARFHVFGLSA-N 2 1 294.464 2.557 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000261780992 383559694 /nfs/dbraw/zinc/55/96/94/383559694.db2.gz PNQMIGKIMLAJCP-ZKYQVNSYSA-N 2 1 284.325 2.875 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780844 383560001 /nfs/dbraw/zinc/56/00/01/383560001.db2.gz PLGKNVGOAVMOOB-UAGQMJEPSA-N 2 1 274.408 2.643 10 0 CFAEMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261807166 383565044 /nfs/dbraw/zinc/56/50/44/383565044.db2.gz RXAKZAGJXXICSM-MAZHCROVSA-N 2 1 270.376 2.910 10 0 CFAEMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645269 393565717 /nfs/dbraw/zinc/56/57/17/393565717.db2.gz XQVDCAQKSKXTHS-JHJVBQTASA-N 2 1 260.372 2.871 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000245594663 393818804 /nfs/dbraw/zinc/81/88/04/393818804.db2.gz ICVBDFXYPXYUII-RYRKJORJSA-N 2 1 296.499 2.837 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763703 393887978 /nfs/dbraw/zinc/88/79/78/393887978.db2.gz SSGKBJSMEJFLRG-CQSZACIVSA-N 2 1 269.392 2.666 10 0 CFAEMP C[C@@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351742 /nfs/dbraw/zinc/35/17/42/394351742.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 2 1 288.526 2.641 10 0 CFAEMP C[C@@H]1C[N@H+](CCCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351744 /nfs/dbraw/zinc/35/17/44/394351744.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 2 1 288.526 2.641 10 0 CFAEMP C[C@@H]1C[N@@H+](CCCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351746 /nfs/dbraw/zinc/35/17/46/394351746.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 2 1 288.526 2.641 10 0 CFAEMP COc1ccc([C@H]([NH3+])Cn2cc[nH+]c2C(C)C)cc1 ZINC000020262057 171119684 /nfs/dbraw/zinc/11/96/84/171119684.db2.gz FLGNHZULTZUQHE-CQSZACIVSA-N 2 1 259.353 2.715 10 0 CFAEMP COc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2C(C)C)cc1 ZINC000020262055 171120202 /nfs/dbraw/zinc/12/02/02/171120202.db2.gz FLGNHZULTZUQHE-AWEZNQCLSA-N 2 1 259.353 2.715 10 0 CFAEMP C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1C[NH3+] ZINC000020266390 171122429 /nfs/dbraw/zinc/12/24/29/171122429.db2.gz DSJIWFIFQVFUSR-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP CC1CC[NH+](CC[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273972 171131018 /nfs/dbraw/zinc/13/10/18/171131018.db2.gz SPTAJXWWPGYCBW-HNNXBMFYSA-N 2 1 250.361 2.948 10 0 CFAEMP C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022156271 171362544 /nfs/dbraw/zinc/36/25/44/171362544.db2.gz IFUYEDKOGGSGOP-AWEZNQCLSA-N 2 1 289.423 2.738 10 0 CFAEMP C[N@H+](Cc1ccsc1)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731473 172381617 /nfs/dbraw/zinc/38/16/17/172381617.db2.gz FERTVSHUIMCVQF-OAHLLOKOSA-N 2 1 260.406 2.922 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210006 173031513 /nfs/dbraw/zinc/03/15/13/173031513.db2.gz KEXWCUKQUWBRQY-JSGCOSHPSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229632 173050377 /nfs/dbraw/zinc/05/03/77/173050377.db2.gz OJTOZIBMBVKQMW-NSHDSACASA-N 2 1 253.415 2.588 10 0 CFAEMP CC[N@@H+](Cc1ccc(SC)cc1)C1CC[NH2+]CC1 ZINC000037538339 173258371 /nfs/dbraw/zinc/25/83/71/173258371.db2.gz ZWNDPELOMLVQID-UHFFFAOYSA-N 2 1 264.438 2.982 10 0 CFAEMP CC[N@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748323 174393321 /nfs/dbraw/zinc/39/33/21/174393321.db2.gz WNEAILZJZZAWKU-PBWFPOADSA-N 2 1 279.815 2.840 10 0 CFAEMP CC[N@@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748323 174393322 /nfs/dbraw/zinc/39/33/22/174393322.db2.gz WNEAILZJZZAWKU-PBWFPOADSA-N 2 1 279.815 2.840 10 0 CFAEMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749328 174393616 /nfs/dbraw/zinc/39/36/16/174393616.db2.gz REXPALWEXBERIA-SMHCIBLRSA-N 2 1 266.335 2.980 10 0 CFAEMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749328 174393618 /nfs/dbraw/zinc/39/36/18/174393618.db2.gz REXPALWEXBERIA-SMHCIBLRSA-N 2 1 266.335 2.980 10 0 CFAEMP Cc1cc(C)cc([C@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000043394456 175034792 /nfs/dbraw/zinc/03/47/92/175034792.db2.gz XJTVJIBZSJQYTN-SFHVURJKSA-N 2 1 289.467 2.577 10 0 CFAEMP CCCC(C[NH3+])(CCC)[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424909 175039851 /nfs/dbraw/zinc/03/98/51/175039851.db2.gz FKZZRBWKBHSHCO-LSDHHAIUSA-N 2 1 268.445 2.928 10 0 CFAEMP COc1cc2[nH]c(CC[C@H]3CCC[NH2+]C3)[nH+]c2cc1OC ZINC000043586071 175071732 /nfs/dbraw/zinc/07/17/32/175071732.db2.gz PKLZRWPMVUEHKH-LLVKDONJSA-N 2 1 289.379 2.512 10 0 CFAEMP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818459 175113264 /nfs/dbraw/zinc/11/32/64/175113264.db2.gz UHRXGCZORFLPFL-MSOLQXFVSA-N 2 1 289.467 2.753 10 0 CFAEMP C[NH2+][C@@H](C)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819743 175113923 /nfs/dbraw/zinc/11/39/23/175113923.db2.gz QEYJBGYHEUGLIH-GJZGRUSLSA-N 2 1 260.425 2.938 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CCC)C1CC1)OCCO2 ZINC000043885746 175116756 /nfs/dbraw/zinc/11/67/56/175116756.db2.gz UHETWDIEAOMZKH-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CCC)C1CC1)OCCO2 ZINC000043885746 175116757 /nfs/dbraw/zinc/11/67/57/175116757.db2.gz UHETWDIEAOMZKH-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884222 175116890 /nfs/dbraw/zinc/11/68/90/175116890.db2.gz JVPJQSQXGLITOD-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884222 175116892 /nfs/dbraw/zinc/11/68/92/175116892.db2.gz JVPJQSQXGLITOD-HOTGVXAUSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)[NH+]1CCC(OC)CC1 ZINC000043890255 175118335 /nfs/dbraw/zinc/11/83/35/175118335.db2.gz XQFZJKDROXUDBG-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H](C[NH+]1CCC(OCC)CC1)C(C)(C)C ZINC000043907281 175123427 /nfs/dbraw/zinc/12/34/27/175123427.db2.gz ZZFLVSIBICRLBW-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H](C)CC[N@H+](C)Cc1cccc(OC)c1 ZINC000043911959 175123975 /nfs/dbraw/zinc/12/39/75/175123975.db2.gz HNOIAPUIBBBDIP-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+][C@H](C)CC[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911959 175123977 /nfs/dbraw/zinc/12/39/77/175123977.db2.gz HNOIAPUIBBBDIP-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966845 175127813 /nfs/dbraw/zinc/12/78/13/175127813.db2.gz NVLXEGAGQDICSA-XHSDSOJGSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966845 175127814 /nfs/dbraw/zinc/12/78/14/175127814.db2.gz NVLXEGAGQDICSA-XHSDSOJGSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)CCOC ZINC000043968745 175129694 /nfs/dbraw/zinc/12/96/94/175129694.db2.gz MLQKTXLPTXUWHC-KFWWJZLASA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968745 175129695 /nfs/dbraw/zinc/12/96/95/175129695.db2.gz MLQKTXLPTXUWHC-KFWWJZLASA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969445 175130148 /nfs/dbraw/zinc/13/01/48/175130148.db2.gz ZBNMFZLMSGMLHT-JJXSEGSLSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969445 175130149 /nfs/dbraw/zinc/13/01/49/175130149.db2.gz ZBNMFZLMSGMLHT-JJXSEGSLSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969191 175130700 /nfs/dbraw/zinc/13/07/00/175130700.db2.gz ATBKFLJCWINLEL-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969191 175130701 /nfs/dbraw/zinc/13/07/01/175130701.db2.gz ATBKFLJCWINLEL-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H](C[N@H+](CCOC)CC(C)C)C(C)(C)C ZINC000043970377 175130946 /nfs/dbraw/zinc/13/09/46/175130946.db2.gz STWKACPQPOWGEA-CQSZACIVSA-N 2 1 258.450 2.615 10 0 CFAEMP CC[NH2+][C@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)C ZINC000043970377 175130948 /nfs/dbraw/zinc/13/09/48/175130948.db2.gz STWKACPQPOWGEA-CQSZACIVSA-N 2 1 258.450 2.615 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCOC)CC(C)C ZINC000043970504 175131349 /nfs/dbraw/zinc/13/13/49/175131349.db2.gz IOWHYBXLCAXVNE-HUUCEWRRSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCOC)CC(C)C ZINC000043970504 175131350 /nfs/dbraw/zinc/13/13/50/175131350.db2.gz IOWHYBXLCAXVNE-HUUCEWRRSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970761 175131850 /nfs/dbraw/zinc/13/18/50/175131850.db2.gz WROUVLHGFWRPGH-SZMVWBNQSA-N 3 1 295.515 2.817 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970765 175131952 /nfs/dbraw/zinc/13/19/52/175131952.db2.gz WROUVLHGFWRPGH-NJAFHUGGSA-N 3 1 295.515 2.817 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970777 175131955 /nfs/dbraw/zinc/13/19/55/175131955.db2.gz HYDQDFWHAKGTNM-ZWKOTPCHSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970771 175132004 /nfs/dbraw/zinc/13/20/04/175132004.db2.gz HYDQDFWHAKGTNM-MSOLQXFVSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970759 175132247 /nfs/dbraw/zinc/13/22/47/175132247.db2.gz WROUVLHGFWRPGH-JQHSSLGASA-N 3 1 295.515 2.817 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971431 175132976 /nfs/dbraw/zinc/13/29/76/175132976.db2.gz BNPKFMPEBSWWMF-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+]1CCC[C@H](OCC)C1 ZINC000043971431 175132977 /nfs/dbraw/zinc/13/29/77/175132977.db2.gz BNPKFMPEBSWWMF-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976842 175133103 /nfs/dbraw/zinc/13/31/03/175133103.db2.gz AFLMEYJXFZQQJT-CAOSSQGBSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976842 175133104 /nfs/dbraw/zinc/13/31/04/175133104.db2.gz AFLMEYJXFZQQJT-CAOSSQGBSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977677 175133391 /nfs/dbraw/zinc/13/33/91/175133391.db2.gz QVOZJTKXGCWUAF-GUTXKFCHSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977677 175133393 /nfs/dbraw/zinc/13/33/93/175133393.db2.gz QVOZJTKXGCWUAF-GUTXKFCHSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977583 175133544 /nfs/dbraw/zinc/13/35/44/175133544.db2.gz UIZMBWFPYRQVCI-OHFALNGGSA-N 2 1 282.472 2.900 10 0 CFAEMP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977116 175133619 /nfs/dbraw/zinc/13/36/19/175133619.db2.gz ILUVESSRXWOZOI-DZGCQCFKSA-N 2 1 258.450 2.900 10 0 CFAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CCOC)C(CC)CC ZINC000043977112 175133623 /nfs/dbraw/zinc/13/36/23/175133623.db2.gz AQKCBRQFRMSFGI-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977485 175133656 /nfs/dbraw/zinc/13/36/56/175133656.db2.gz RUGBGVFORSTBTC-IMJJTQAJSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981895 175134054 /nfs/dbraw/zinc/13/40/54/175134054.db2.gz HMKSVVXHXZHBKK-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981895 175134055 /nfs/dbraw/zinc/13/40/55/175134055.db2.gz HMKSVVXHXZHBKK-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000043993770 175136396 /nfs/dbraw/zinc/13/63/96/175136396.db2.gz GTIBHOQNMMRPOS-AWEZNQCLSA-N 2 1 289.379 2.560 10 0 CFAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000044037388 175139782 /nfs/dbraw/zinc/13/97/82/175139782.db2.gz MMWSXFNSPPJWQY-BLLLJJGKSA-N 2 1 273.380 2.976 10 0 CFAEMP Cc1cc(C)c([C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000044132989 175145182 /nfs/dbraw/zinc/14/51/82/175145182.db2.gz FBDRFNLTRTTYIY-KRWDZBQOSA-N 2 1 290.451 2.671 10 0 CFAEMP CCc1ccc([C@@H](O)[C@@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000044133125 175145653 /nfs/dbraw/zinc/14/56/53/175145653.db2.gz FUODVRHASRDOPW-KDOFPFPSSA-N 2 1 290.451 2.697 10 0 CFAEMP CCc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000044528019 175192428 /nfs/dbraw/zinc/19/24/28/175192428.db2.gz GQWOIMMXXXBJRS-ZDUSSCGKSA-N 2 1 271.408 2.901 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044528021 175192841 /nfs/dbraw/zinc/19/28/41/175192841.db2.gz HUEYOSOGMYOIEE-ZDUSSCGKSA-N 2 1 257.381 2.647 10 0 CFAEMP CCCCOCC[N@@H+]1CC[C@H]([NH2+]CCC)C[C@@H]1C ZINC000045107886 175308249 /nfs/dbraw/zinc/30/82/49/175308249.db2.gz ZSOPDRAJGOHXSX-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCCCOCC[N@H+]1CC[C@H]([NH2+]CCC)C[C@@H]1C ZINC000045107886 175308251 /nfs/dbraw/zinc/30/82/51/175308251.db2.gz ZSOPDRAJGOHXSX-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCCCC[N@H+](CC[C@@](C)([NH2+]CCC)C(N)=O)C(C)C ZINC000045278647 175349145 /nfs/dbraw/zinc/34/91/45/175349145.db2.gz SDZMGYWDKOHOAG-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCCC[N@@H+](CC[C@@](C)([NH2+]CCC)C(N)=O)C(C)C ZINC000045278647 175349147 /nfs/dbraw/zinc/34/91/47/175349147.db2.gz SDZMGYWDKOHOAG-MRXNPFEDSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045278653 175349181 /nfs/dbraw/zinc/34/91/81/175349181.db2.gz SWHMYEZWPZXJKG-MRXNPFEDSA-N 2 1 285.476 2.519 10 0 CFAEMP CCCCC[N@@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045278653 175349183 /nfs/dbraw/zinc/34/91/83/175349183.db2.gz SWHMYEZWPZXJKG-MRXNPFEDSA-N 2 1 285.476 2.519 10 0 CFAEMP CCC[NH2+][C@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281159 175352222 /nfs/dbraw/zinc/35/22/22/175352222.db2.gz VMGBXVAQFXVLRG-VMBOVVBDSA-N 2 1 297.487 2.521 10 0 CFAEMP CCC[NH2+][C@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281159 175352224 /nfs/dbraw/zinc/35/22/24/175352224.db2.gz VMGBXVAQFXVLRG-VMBOVVBDSA-N 2 1 297.487 2.521 10 0 CFAEMP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045370484 175364303 /nfs/dbraw/zinc/36/43/03/175364303.db2.gz KKGJSIRLGLNNKL-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045370484 175364304 /nfs/dbraw/zinc/36/43/04/175364304.db2.gz KKGJSIRLGLNNKL-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372294 175364945 /nfs/dbraw/zinc/36/49/45/175364945.db2.gz QUTOZCZJZVUMNS-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377991 175367810 /nfs/dbraw/zinc/36/78/10/175367810.db2.gz BQHHIHCVJDIVFC-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045377991 175367811 /nfs/dbraw/zinc/36/78/11/175367811.db2.gz BQHHIHCVJDIVFC-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045386055 175371850 /nfs/dbraw/zinc/37/18/50/175371850.db2.gz YCZZEFUHJHEBQT-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045386055 175371852 /nfs/dbraw/zinc/37/18/52/175371852.db2.gz YCZZEFUHJHEBQT-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384898 175372122 /nfs/dbraw/zinc/37/21/22/175372122.db2.gz QYTOYLSALYCHKJ-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384898 175372123 /nfs/dbraw/zinc/37/21/23/175372123.db2.gz QYTOYLSALYCHKJ-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045386059 175372379 /nfs/dbraw/zinc/37/23/79/175372379.db2.gz YCZZEFUHJHEBQT-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045386059 175372380 /nfs/dbraw/zinc/37/23/80/175372380.db2.gz YCZZEFUHJHEBQT-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387603 175372869 /nfs/dbraw/zinc/37/28/69/175372869.db2.gz KSMDXIHTLXLKLB-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCC[C@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387603 175372870 /nfs/dbraw/zinc/37/28/70/175372870.db2.gz KSMDXIHTLXLKLB-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386599 175373251 /nfs/dbraw/zinc/37/32/51/175373251.db2.gz PDSXAMJDCRJXGK-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386599 175373253 /nfs/dbraw/zinc/37/32/53/175373253.db2.gz PDSXAMJDCRJXGK-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CCC)C1CC1)C(=O)OCC ZINC000045387629 175373669 /nfs/dbraw/zinc/37/36/69/175373669.db2.gz GOEOCXJWQPAJDM-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045387629 175373670 /nfs/dbraw/zinc/37/36/70/175373670.db2.gz GOEOCXJWQPAJDM-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391471 175374342 /nfs/dbraw/zinc/37/43/42/175374342.db2.gz MVICEQYKJUVMPL-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390625 175374653 /nfs/dbraw/zinc/37/46/53/175374653.db2.gz JOYRRQGTBXBSPC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390625 175374654 /nfs/dbraw/zinc/37/46/54/175374654.db2.gz JOYRRQGTBXBSPC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCC[C@@H](CC)C1 ZINC000045393345 175376288 /nfs/dbraw/zinc/37/62/88/175376288.db2.gz CRCXBOVRPWRIQF-ZBFHGGJFSA-N 2 1 284.444 2.559 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCC[C@@H](CC)C1 ZINC000045393345 175376290 /nfs/dbraw/zinc/37/62/90/175376290.db2.gz CRCXBOVRPWRIQF-ZBFHGGJFSA-N 2 1 284.444 2.559 10 0 CFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263618 176096472 /nfs/dbraw/zinc/09/64/72/176096472.db2.gz HWVOPZYSQJFMQJ-NWDGAFQWSA-N 2 1 250.361 2.905 10 0 CFAEMP CC[N@@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401941 176153839 /nfs/dbraw/zinc/15/38/39/176153839.db2.gz BDTDTDDOKNJZFY-HOCLYGCPSA-N 2 1 264.413 2.823 10 0 CFAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000071401725 176154148 /nfs/dbraw/zinc/15/41/48/176154148.db2.gz ZSQFJVZMHWBXBU-INIZCTEOSA-N 2 1 262.397 2.577 10 0 CFAEMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000076656976 177045813 /nfs/dbraw/zinc/04/58/13/177045813.db2.gz ASVUQPPIGPNFMH-LBPRGKRZSA-N 2 1 252.789 2.566 10 0 CFAEMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000076656976 177045815 /nfs/dbraw/zinc/04/58/15/177045815.db2.gz ASVUQPPIGPNFMH-LBPRGKRZSA-N 2 1 252.789 2.566 10 0 CFAEMP C[C@H](CC[NH3+])CCC[N@H+]1CCc2sccc2C1 ZINC000079193034 177442298 /nfs/dbraw/zinc/44/22/98/177442298.db2.gz GGAUANRFJWIKOO-LBPRGKRZSA-N 2 1 252.427 2.871 10 0 CFAEMP CC1(C)C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261778008 278341465 /nfs/dbraw/zinc/34/14/65/278341465.db2.gz SYRRBOLUULKDMT-LSDHHAIUSA-N 2 1 262.372 2.872 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@H+](Cc1ccco1)C1CC1 ZINC000052370827 519722477 /nfs/dbraw/zinc/72/24/77/519722477.db2.gz HHYSMHIQBINPPE-CYBMUJFWSA-N 2 1 250.386 2.878 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370827 519722479 /nfs/dbraw/zinc/72/24/79/519722479.db2.gz HHYSMHIQBINPPE-CYBMUJFWSA-N 2 1 250.386 2.878 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)CCc1ccccn1 ZINC000052423948 519743458 /nfs/dbraw/zinc/74/34/58/519743458.db2.gz MDAXUFJOHCQMMP-UHFFFAOYSA-N 2 1 277.456 2.972 10 0 CFAEMP CC(C)C[NH2+]Cc1coc(C[NH+]2CCSCC2)c1 ZINC000052425671 519748268 /nfs/dbraw/zinc/74/82/68/519748268.db2.gz QCRALFIMFZOWFL-UHFFFAOYSA-N 2 1 268.426 2.574 10 0 CFAEMP CC[NH2+]CCCCC[N@@H+](CCOC)C(CC)CC ZINC000052573382 519919285 /nfs/dbraw/zinc/91/92/85/519919285.db2.gz VRZJTAWMSYGZRI-UHFFFAOYSA-N 2 1 258.450 2.903 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CC)[C@@H](C)COC ZINC000052504762 519957918 /nfs/dbraw/zinc/95/79/18/519957918.db2.gz DCLRMOSFGQIAKI-ZDUSSCGKSA-N 2 1 268.401 2.636 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@H+](C)CC(C)C)cs1 ZINC000052452379 519964241 /nfs/dbraw/zinc/96/42/41/519964241.db2.gz QCECEYJYQIEVIZ-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@@H+](C)CC(C)C)cs1 ZINC000052452379 519964251 /nfs/dbraw/zinc/96/42/51/519964251.db2.gz QCECEYJYQIEVIZ-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@H](C)CC ZINC000052444128 520009260 /nfs/dbraw/zinc/00/92/60/520009260.db2.gz CXXGESLDXCTQRK-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052542671 521135721 /nfs/dbraw/zinc/13/57/21/521135721.db2.gz KRYHYXMMSZBGFR-UHFFFAOYSA-N 2 1 268.401 2.554 10 0 CFAEMP CCC(CC)C[N@@H+](CC)CC1(C[NH3+])CCOCC1 ZINC000052182937 521519126 /nfs/dbraw/zinc/51/91/26/521519126.db2.gz BRUYMMZPIKREDK-UHFFFAOYSA-N 2 1 256.434 2.500 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182643 521970459 /nfs/dbraw/zinc/97/04/59/521970459.db2.gz OJSJRZPRWRIOLD-CABCVRRESA-N 2 1 268.445 2.513 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181191 522048521 /nfs/dbraw/zinc/04/85/21/522048521.db2.gz JGUGXHJKHIHXOG-CQSZACIVSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)[N@@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052419589 519626401 /nfs/dbraw/zinc/62/64/01/519626401.db2.gz IMAHVUOMSWQVTM-UHFFFAOYSA-N 2 1 262.397 2.658 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181589 519719775 /nfs/dbraw/zinc/71/97/75/519719775.db2.gz JWCMAICDUPXTFJ-UHFFFAOYSA-N 2 1 296.480 2.975 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181589 519719777 /nfs/dbraw/zinc/71/97/77/519719777.db2.gz JWCMAICDUPXTFJ-UHFFFAOYSA-N 2 1 296.480 2.975 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419395 519725269 /nfs/dbraw/zinc/72/52/69/519725269.db2.gz UVDDONOQOYQGIA-CVEARBPZSA-N 2 1 268.445 2.797 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425395 519725349 /nfs/dbraw/zinc/72/53/49/519725349.db2.gz AWDBFYPZWCQUCP-SJORKVTESA-N 2 1 294.414 2.803 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000052481876 519726773 /nfs/dbraw/zinc/72/67/73/519726773.db2.gz IASQDQDIRQDSMZ-UHFFFAOYSA-N 2 1 276.424 2.795 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180708 519742849 /nfs/dbraw/zinc/74/28/49/519742849.db2.gz BNUZIFOJRJISNM-INIZCTEOSA-N 2 1 282.472 2.903 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@H]1CCSC1 ZINC000052453536 519743152 /nfs/dbraw/zinc/74/31/52/519743152.db2.gz RBQSDXNIZDAQGH-AWEZNQCLSA-N 2 1 258.475 2.840 10 0 CFAEMP CC(C)C[NH2+]CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000052346149 519743808 /nfs/dbraw/zinc/74/38/08/519743808.db2.gz YRGBAOANMNAAQL-UHFFFAOYSA-N 2 1 252.377 2.893 10 0 CFAEMP CC(C)C[NH2+]CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346149 519743809 /nfs/dbraw/zinc/74/38/09/519743809.db2.gz YRGBAOANMNAAQL-UHFFFAOYSA-N 2 1 252.377 2.893 10 0 CFAEMP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417357 519744122 /nfs/dbraw/zinc/74/41/22/519744122.db2.gz ODKQEJLREUAAKA-QGZVFWFLSA-N 2 1 289.467 2.833 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456893 519745145 /nfs/dbraw/zinc/74/51/45/519745145.db2.gz VVINHEDLNDVIKU-GOEBONIOSA-N 2 1 280.412 2.505 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[NH+]1CCSCC1 ZINC000052443313 519749422 /nfs/dbraw/zinc/74/94/22/519749422.db2.gz NPAFJPPTIDYSHN-UHFFFAOYSA-N 2 1 268.426 2.574 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@H](C)CC)CCOCC1 ZINC000052181180 519909819 /nfs/dbraw/zinc/90/98/19/519909819.db2.gz JGXJSEDMMZSDHD-CQSZACIVSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180408 519911113 /nfs/dbraw/zinc/91/11/13/519911113.db2.gz KAXCJOPWAWVULN-OAHLLOKOSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545255 519920056 /nfs/dbraw/zinc/92/00/56/519920056.db2.gz JMXSQDOUIPWXRT-HOCLYGCPSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346136 519920065 /nfs/dbraw/zinc/92/00/65/519920065.db2.gz MQUOVPQZQOFVCV-CYBMUJFWSA-N 2 1 252.377 2.893 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@H](C)CC)on1 ZINC000052454090 519943923 /nfs/dbraw/zinc/94/39/23/519943923.db2.gz BXCQRKUIWKAUEN-GFCCVEGCSA-N 2 1 253.390 2.652 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482119 519950885 /nfs/dbraw/zinc/95/08/85/519950885.db2.gz CDNSLTGNFHNLTI-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346398 519951331 /nfs/dbraw/zinc/95/13/31/519951331.db2.gz OYPKWQPALMRYFS-HOTGVXAUSA-N 2 1 296.842 2.929 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482375 519981811 /nfs/dbraw/zinc/98/18/11/519981811.db2.gz CZOKFEYTKMJZOQ-YLFCFFPRSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](CC)C(C)C)c1 ZINC000052446815 520007168 /nfs/dbraw/zinc/00/71/68/520007168.db2.gz WVEBWTXROCKSBG-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCCC[N@@H+](CCn1cc(C[NH2+]CCC)nn1)[C@@H](C)CC ZINC000052372711 520541745 /nfs/dbraw/zinc/54/17/45/520541745.db2.gz SBJDUEIFQLPURY-HNNXBMFYSA-N 2 1 295.475 2.678 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239939 520957334 /nfs/dbraw/zinc/95/73/34/520957334.db2.gz CTMIWYJLVHVLQJ-QGZVFWFLSA-N 2 1 282.472 2.761 10 0 CFAEMP CCC[C@H](C)[N@@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181877 521032800 /nfs/dbraw/zinc/03/28/00/521032800.db2.gz SOSBMMPUYNHZQR-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[C@](C)(C[NH2+]C(C)C)C[N@@H+](CCOC)C1CC1 ZINC000051253311 521267290 /nfs/dbraw/zinc/26/72/90/521267290.db2.gz UMSLQKFEHLCLKV-MRXNPFEDSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[C@](C)([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538845 521278673 /nfs/dbraw/zinc/27/86/73/521278673.db2.gz JYPIYYHITIUOSZ-RNCFNFMXSA-N 2 1 255.431 2.928 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429334 521310231 /nfs/dbraw/zinc/31/02/31/521310231.db2.gz XJYUNXMFKMZHQG-LBPRGKRZSA-N 2 1 277.412 2.593 10 0 CFAEMP CCC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCCC1 ZINC000050539269 521692280 /nfs/dbraw/zinc/69/22/80/521692280.db2.gz FIUINSWJEWHBLY-UHFFFAOYSA-N 2 1 278.444 2.684 10 0 CFAEMP CCC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCCC1 ZINC000050539269 521692281 /nfs/dbraw/zinc/69/22/81/521692281.db2.gz FIUINSWJEWHBLY-UHFFFAOYSA-N 2 1 278.444 2.684 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197777 521964604 /nfs/dbraw/zinc/96/46/04/521964604.db2.gz USCSBMLWDWSYSO-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372938 521998213 /nfs/dbraw/zinc/99/82/13/521998213.db2.gz DYXCBZMIHACVEV-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953694 522088943 /nfs/dbraw/zinc/08/89/43/522088943.db2.gz JFWXCRHLZUDIDL-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2CCc3sccc3C2)oc1C ZINC000052382954 522108986 /nfs/dbraw/zinc/10/89/86/522108986.db2.gz TZYYEVNCYNGBTH-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCc3sccc3C2)oc1C ZINC000052382954 522108992 /nfs/dbraw/zinc/10/89/92/522108992.db2.gz TZYYEVNCYNGBTH-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000052382961 522118020 /nfs/dbraw/zinc/11/80/20/522118020.db2.gz ZFYCKGOSACDHEK-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@H+]2CCc3sccc3C2)o1 ZINC000052382961 522118029 /nfs/dbraw/zinc/11/80/29/522118029.db2.gz ZFYCKGOSACDHEK-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)CC(C)(C)C)cc1 ZINC000052570115 522123212 /nfs/dbraw/zinc/12/32/12/522123212.db2.gz RWCZUUBAXWQSAM-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373060 522141672 /nfs/dbraw/zinc/14/16/72/522141672.db2.gz NUZQLBVBFNJRKB-INIZCTEOSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+][C@@H](C)c1ccccc1OCCn1cc[nH+]c1C ZINC000049329476 522336102 /nfs/dbraw/zinc/33/61/02/522336102.db2.gz RVSKJMCLAHNQBV-LBPRGKRZSA-N 2 1 259.353 2.551 10 0 CFAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)c1ccc(F)cc1 ZINC000069397589 522361220 /nfs/dbraw/zinc/36/12/20/522361220.db2.gz YIQALOFVFBZSLS-INIZCTEOSA-N 2 1 287.382 2.911 10 0 CFAEMP C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1C[N@@H+](C)CC1CC1 ZINC000054560069 522395854 /nfs/dbraw/zinc/39/58/54/522395854.db2.gz BPHAFNXYRJPVIN-OWCLPIDISA-N 2 1 252.446 2.989 10 0 CFAEMP CC[C@@H]([NH3+])c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329351 522655737 /nfs/dbraw/zinc/65/57/37/522655737.db2.gz DTZCKFRFRCOMOS-OAHLLOKOSA-N 2 1 259.353 2.680 10 0 CFAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000052764667 522787373 /nfs/dbraw/zinc/78/73/73/522787373.db2.gz FLDXIKBQPGRLKJ-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCCC1 ZINC000052444985 523077999 /nfs/dbraw/zinc/07/79/99/523077999.db2.gz GGLYKNANBGJAEG-GJZGRUSLSA-N 2 1 268.445 2.797 10 0 CFAEMP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000246501794 523304665 /nfs/dbraw/zinc/30/46/65/523304665.db2.gz XUSPVNZDTKXDSA-GJZGRUSLSA-N 2 1 299.418 2.516 10 0 CFAEMP CC[C@@H]1C[N@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052477089 523448373 /nfs/dbraw/zinc/44/83/73/523448373.db2.gz NZLZKUZZZWOYSY-GFCCVEGCSA-N 2 1 274.364 2.502 10 0 CFAEMP CC[C@@H]1C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052477089 523448383 /nfs/dbraw/zinc/44/83/83/523448383.db2.gz NZLZKUZZZWOYSY-GFCCVEGCSA-N 2 1 274.364 2.502 10 0 CFAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCC[NH2+]CC(C)C ZINC000052570767 523514377 /nfs/dbraw/zinc/51/43/77/523514377.db2.gz CLXZZSVIXMYVTR-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP C[N@H+]1CCC[C@H]1CCOc1ccc(Cl)cc1C[NH3+] ZINC000052858527 523850714 /nfs/dbraw/zinc/85/07/14/523850714.db2.gz NPSIVPUSNQSQLI-ZDUSSCGKSA-N 2 1 268.788 2.662 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181450 523867145 /nfs/dbraw/zinc/86/71/45/523867145.db2.gz PSBIHUYZMQIGQV-AWEZNQCLSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052451152 523934251 /nfs/dbraw/zinc/93/42/51/523934251.db2.gz HFHRKDKTQFHOHT-LBPRGKRZSA-N 2 1 253.390 2.793 10 0 CFAEMP CC[C@H](C)[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953696 523936323 /nfs/dbraw/zinc/93/63/23/523936323.db2.gz JFWXCRHLZUDIDL-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[C@H](C)[N@H+](CCOC)[C@@H](CC)C[NH2+]CC(C)C ZINC000052547230 523938624 /nfs/dbraw/zinc/93/86/24/523938624.db2.gz TVACHMVQCOMJSA-GJZGRUSLSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H](CC)C[NH2+]CC(C)C ZINC000052547230 523938627 /nfs/dbraw/zinc/93/86/27/523938627.db2.gz TVACHMVQCOMJSA-GJZGRUSLSA-N 2 1 258.450 2.758 10 0 CFAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000061815910 524405151 /nfs/dbraw/zinc/40/51/51/524405151.db2.gz VLGAAEKUGDKYML-LSDHHAIUSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@@H](C[NH+]1CCCC1)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049152355 524594778 /nfs/dbraw/zinc/59/47/78/524594778.db2.gz CRMHMAXYUAXKSC-LBPRGKRZSA-N 2 1 270.380 2.713 10 0 CFAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1C ZINC000151262698 524828610 /nfs/dbraw/zinc/82/86/10/524828610.db2.gz YEPZQZQNJPQSGF-SJORKVTESA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038266 524855607 /nfs/dbraw/zinc/85/56/07/524855607.db2.gz XYUKRGVUQBYGQQ-NVXWUHKLSA-N 2 1 258.409 2.784 10 0 CFAEMP CSCCC[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000069433104 525478181 /nfs/dbraw/zinc/47/81/81/525478181.db2.gz JFMOBNGEUONBDY-UHFFFAOYSA-N 2 1 256.459 2.760 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182075 525640378 /nfs/dbraw/zinc/64/03/78/525640378.db2.gz KJBAZBKRDQYRJA-LSDHHAIUSA-N 2 1 280.456 2.656 10 0 CFAEMP c1[nH]c2ccccc2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000050499409 526393144 /nfs/dbraw/zinc/39/31/44/526393144.db2.gz RZZLYBLHNBKIAJ-UHFFFAOYSA-N 2 1 269.392 2.884 10 0 CFAEMP c1ccc2[nH+]c(NCCC[NH2+]Cc3cccnc3)[nH]c2c1 ZINC000063197212 526499776 /nfs/dbraw/zinc/49/97/76/526499776.db2.gz GFPMJUORUXRMPR-UHFFFAOYSA-N 2 1 281.363 2.550 10 0 CFAEMP Cc1oc(CN2CCC[N@H+](C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052424188 526771354 /nfs/dbraw/zinc/77/13/54/526771354.db2.gz ITQJGZKROYUYES-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP Cc1oc(C[N@H+]2CCCN(C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052424188 526771361 /nfs/dbraw/zinc/77/13/61/526771361.db2.gz ITQJGZKROYUYES-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP Cc1oc(C[N@@H+]2CCCN(C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052424188 526771364 /nfs/dbraw/zinc/77/13/64/526771364.db2.gz ITQJGZKROYUYES-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP [NH3+]CCC[N@@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000049312080 527179323 /nfs/dbraw/zinc/17/93/23/527179323.db2.gz LQFRUJURQINIPE-UHFFFAOYSA-N 2 1 282.350 2.549 10 0 CFAEMP CC(C)[C@H]1C[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)OC1 ZINC000757154183 617844053 /nfs/dbraw/zinc/84/40/53/617844053.db2.gz ZHQCJQNOMJLVNG-LBPRGKRZSA-N 2 1 254.418 2.515 10 0 CFAEMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261943230 618218228 /nfs/dbraw/zinc/21/82/28/618218228.db2.gz NDVXTLBLDFBQEO-IMJJTQAJSA-N 2 1 294.826 2.587 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]12 ZINC000261622362 619179439 /nfs/dbraw/zinc/17/94/39/619179439.db2.gz UUTKRDGQVKBBPZ-MELADBBJSA-N 2 1 266.335 2.793 10 0 CFAEMP Clc1ccc2c(NC[C@H]3CC[NH2+]C3)cc[nH+]c2c1 ZINC000133840340 646239504 /nfs/dbraw/zinc/23/95/04/646239504.db2.gz DUPWPWQTMILLJQ-JTQLQIEISA-N 2 1 261.756 2.910 10 0 CFAEMP C[NH2+][C@@](C)(CO)CCCC[N@@H+](C)CC1CCCCC1 ZINC000085260943 178991524 /nfs/dbraw/zinc/99/15/24/178991524.db2.gz IONRQNZIFNYKBL-MRXNPFEDSA-N 2 1 270.461 2.639 10 0 CFAEMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818726 179347366 /nfs/dbraw/zinc/34/73/66/179347366.db2.gz NVKGHPNIJMKZNI-ZBFHGGJFSA-N 2 1 276.424 2.700 10 0 CFAEMP CC[C@](C)([NH3+])C[NH2+]Cc1cc(Br)cs1 ZINC000086810538 179340362 /nfs/dbraw/zinc/34/03/62/179340362.db2.gz ACTZQHNDYFJSGJ-JTQLQIEISA-N 2 1 277.231 2.728 10 0 CFAEMP CC[C@@](C)([NH3+])C[NH2+]Cc1ccc(Br)s1 ZINC000086810535 179340888 /nfs/dbraw/zinc/34/08/88/179340888.db2.gz UFNOMEWWLPKBPP-SNVBAGLBSA-N 2 1 277.231 2.728 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086817574 179346120 /nfs/dbraw/zinc/34/61/20/179346120.db2.gz DXGVOERDBDRIPF-KGLIPLIRSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817574 179346122 /nfs/dbraw/zinc/34/61/22/179346122.db2.gz DXGVOERDBDRIPF-KGLIPLIRSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818652 179347168 /nfs/dbraw/zinc/34/71/68/179347168.db2.gz RMUKWALHHZYZHG-HIFRSBDPSA-N 2 1 262.397 2.830 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844171 179355743 /nfs/dbraw/zinc/35/57/43/179355743.db2.gz OBPSVCBTCADAHM-MRXNPFEDSA-N 2 1 276.424 2.920 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H](NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842107 179353835 /nfs/dbraw/zinc/35/38/35/179353835.db2.gz POALVXJCKNOTMG-QZTJIDSGSA-N 2 1 295.515 2.961 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842107 179353836 /nfs/dbraw/zinc/35/38/36/179353836.db2.gz POALVXJCKNOTMG-QZTJIDSGSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842107 179353839 /nfs/dbraw/zinc/35/38/39/179353839.db2.gz POALVXJCKNOTMG-QZTJIDSGSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[N@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844693 179355089 /nfs/dbraw/zinc/35/50/89/179355089.db2.gz DPCRLJGBLBLJGL-SJORKVTESA-N 2 1 281.488 2.572 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844693 179355092 /nfs/dbraw/zinc/35/50/92/179355092.db2.gz DPCRLJGBLBLJGL-SJORKVTESA-N 3 1 281.488 2.572 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844693 179355093 /nfs/dbraw/zinc/35/50/93/179355093.db2.gz DPCRLJGBLBLJGL-SJORKVTESA-N 3 1 281.488 2.572 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)cn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654113 348441659 /nfs/dbraw/zinc/44/16/59/348441659.db2.gz XEYUSVKAQMZHSF-GFCCVEGCSA-N 2 1 290.798 2.626 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)cn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654113 348441661 /nfs/dbraw/zinc/44/16/61/348441661.db2.gz XEYUSVKAQMZHSF-GFCCVEGCSA-N 2 1 290.798 2.626 10 0 CFAEMP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000379653243 348522421 /nfs/dbraw/zinc/52/24/21/348522421.db2.gz ZAMPMEHWPHQHBA-KBAYOESNSA-N 2 1 290.451 2.790 10 0 CFAEMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000105862282 186079998 /nfs/dbraw/zinc/07/99/98/186079998.db2.gz SWIJAVJTFWTFIN-INIZCTEOSA-N 2 1 290.451 2.520 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616600364 352379774 /nfs/dbraw/zinc/37/97/74/352379774.db2.gz CNXOYAAZOBLFAE-GFCCVEGCSA-N 2 1 252.789 2.868 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616600364 352379777 /nfs/dbraw/zinc/37/97/77/352379777.db2.gz CNXOYAAZOBLFAE-GFCCVEGCSA-N 2 1 252.789 2.868 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2ccnc3ccccc32)CC1 ZINC000616627691 352390717 /nfs/dbraw/zinc/39/07/17/352390717.db2.gz JKCDKFUOGTZISW-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@H](c2ccnc3ccccc32)CC1 ZINC000616627691 352390721 /nfs/dbraw/zinc/39/07/21/352390721.db2.gz JKCDKFUOGTZISW-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc2nnccc21 ZINC000616633823 352393596 /nfs/dbraw/zinc/39/35/96/352393596.db2.gz RYAZFFNOUFPMLB-INIZCTEOSA-N 2 1 270.380 2.506 10 0 CFAEMP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc2nnccc21 ZINC000616633823 352393601 /nfs/dbraw/zinc/39/36/01/352393601.db2.gz RYAZFFNOUFPMLB-INIZCTEOSA-N 2 1 270.380 2.506 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000631836580 355600714 /nfs/dbraw/zinc/60/07/14/355600714.db2.gz BUGJEYTXYOSBEB-MFKMUULPSA-N 2 1 254.324 2.651 10 0 CFAEMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839398 355601010 /nfs/dbraw/zinc/60/10/10/355601010.db2.gz FYZGVJOFWDHPDY-MDZLAQPJSA-N 2 1 284.350 2.876 10 0 CFAEMP C[C@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000261553354 291304800 /nfs/dbraw/zinc/30/48/00/291304800.db2.gz AEVULTIZCTWKKE-JOYOIKCWSA-N 2 1 261.756 2.814 10 0 CFAEMP C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C[NH3+])cc13 ZINC000013532335 372031471 /nfs/dbraw/zinc/03/14/71/372031471.db2.gz XYIFHCHUVGLMRO-CGTJXYLNSA-N 2 1 270.420 2.834 10 0 CFAEMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000067847228 374008907 /nfs/dbraw/zinc/00/89/07/374008907.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 2 1 298.434 2.646 10 0 CFAEMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000067847228 374008918 /nfs/dbraw/zinc/00/89/18/374008918.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 2 1 298.434 2.646 10 0 CFAEMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000067847228 374008928 /nfs/dbraw/zinc/00/89/28/374008928.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 2 1 298.434 2.646 10 0 CFAEMP c1ccc(CNC2=[NH+]CCC[NH2+]C23CCCCC3)cc1 ZINC000075567142 374493116 /nfs/dbraw/zinc/49/31/16/374493116.db2.gz WZYWAFKWVUFSCP-UHFFFAOYSA-N 2 1 271.408 2.871 10 0 CFAEMP COc1cc(N[C@H](C)CCC[NH3+])cc2[nH+]cccc21 ZINC000097056124 375505974 /nfs/dbraw/zinc/50/59/74/375505974.db2.gz JEHBDVTXYLXKCV-LLVKDONJSA-N 2 1 259.353 2.783 10 0 CFAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507923 190040268 /nfs/dbraw/zinc/04/02/68/190040268.db2.gz NWKPTWWOFZVAAU-AAEUAGOBSA-N 2 1 272.314 2.527 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130408463 377551364 /nfs/dbraw/zinc/55/13/64/377551364.db2.gz IUVKYDPKITVORW-OAHLLOKOSA-N 2 1 270.380 2.678 10 0 CFAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151326731 378317387 /nfs/dbraw/zinc/31/73/87/378317387.db2.gz ZDOCGFUTJDYJDL-IRXDYDNUSA-N 2 1 294.414 2.713 10 0 CFAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cc(C)nc(C2CC2)n1 ZINC000174924601 379962398 /nfs/dbraw/zinc/96/23/98/379962398.db2.gz LZXWPGFSQUHTML-HUUCEWRRSA-N 2 1 286.423 2.725 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3cnccn3)C2)[nH+]1 ZINC000184567260 381434010 /nfs/dbraw/zinc/43/40/10/381434010.db2.gz OSVDPFJKBMGDSR-LSDHHAIUSA-N 2 1 297.406 2.675 10 0 CFAEMP CC[N@@H+](CCO)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302229469 382223491 /nfs/dbraw/zinc/22/34/91/382223491.db2.gz WHHRFQICCZNXBF-UHFFFAOYSA-N 2 1 287.407 2.578 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000381124924 382518669 /nfs/dbraw/zinc/51/86/69/382518669.db2.gz FFIGWDZJBNHFCC-SLBVQIDZSA-N 2 1 250.430 2.872 10 0 CFAEMP [NH3+]CC[C@H](Nc1[nH+]ccc2ccccc21)C(F)F ZINC000383464512 382544551 /nfs/dbraw/zinc/54/45/51/382544551.db2.gz PSMNZUZCDAJPLM-NSHDSACASA-N 2 1 251.280 2.629 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358254704 382529864 /nfs/dbraw/zinc/52/98/64/382529864.db2.gz ZPGQGEUYUWXZRB-ATLSCFEFSA-N 2 1 288.435 2.807 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358254704 382529868 /nfs/dbraw/zinc/52/98/68/382529868.db2.gz ZPGQGEUYUWXZRB-ATLSCFEFSA-N 2 1 288.435 2.807 10 0 CFAEMP Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231454640 382864906 /nfs/dbraw/zinc/86/49/06/382864906.db2.gz SINGGHCMDVCZIZ-CQSZACIVSA-N 2 1 250.361 2.708 10 0 CFAEMP Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231454640 382864907 /nfs/dbraw/zinc/86/49/07/382864907.db2.gz SINGGHCMDVCZIZ-CQSZACIVSA-N 2 1 250.361 2.708 10 0 CFAEMP C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000231457161 382865193 /nfs/dbraw/zinc/86/51/93/382865193.db2.gz QNSGAQQEDCXOCE-INIZCTEOSA-N 2 1 269.392 2.809 10 0 CFAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(CO)c2)C1 ZINC000245937347 383051367 /nfs/dbraw/zinc/05/13/67/383051367.db2.gz UFLMPWKHVAWVAX-JKIFEVAISA-N 2 1 276.424 2.558 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247107167 383144285 /nfs/dbraw/zinc/14/42/85/383144285.db2.gz OXXYMFINKVDGOI-HLLBOEOZSA-N 2 1 276.424 2.664 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247107167 383144288 /nfs/dbraw/zinc/14/42/88/383144288.db2.gz OXXYMFINKVDGOI-HLLBOEOZSA-N 2 1 276.424 2.664 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250838334 383381427 /nfs/dbraw/zinc/38/14/27/383381427.db2.gz CRAAUAJUSFBZSA-DZKIICNBSA-N 2 1 272.392 2.727 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250838334 383381433 /nfs/dbraw/zinc/38/14/33/383381433.db2.gz CRAAUAJUSFBZSA-DZKIICNBSA-N 2 1 272.392 2.727 10 0 CFAEMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987634 383456657 /nfs/dbraw/zinc/45/66/57/383456657.db2.gz GTESFOFJCAVOOZ-CVEARBPZSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987634 383456659 /nfs/dbraw/zinc/45/66/59/383456659.db2.gz GTESFOFJCAVOOZ-CVEARBPZSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987634 383456664 /nfs/dbraw/zinc/45/66/64/383456664.db2.gz GTESFOFJCAVOOZ-CVEARBPZSA-N 3 1 281.488 2.619 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@@H]12 ZINC000261545321 383508059 /nfs/dbraw/zinc/50/80/59/383508059.db2.gz FYAQAWHDPJYGIX-IACUBPJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@@H]12 ZINC000261545321 383508062 /nfs/dbraw/zinc/50/80/62/383508062.db2.gz FYAQAWHDPJYGIX-IACUBPJLSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000261552552 383510089 /nfs/dbraw/zinc/51/00/89/383510089.db2.gz NAMQODWQWBBGNA-KWCYVHTRSA-N 2 1 250.773 2.509 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588740 383522377 /nfs/dbraw/zinc/52/23/77/383522377.db2.gz KIKOSWKDRVPLMF-YESZJQIVSA-N 2 1 256.393 2.733 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261950776 383584666 /nfs/dbraw/zinc/58/46/66/383584666.db2.gz NXZMKGNIWZEZKT-LNSITVRQSA-N 2 1 294.826 2.908 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261950776 383584673 /nfs/dbraw/zinc/58/46/73/383584673.db2.gz NXZMKGNIWZEZKT-LNSITVRQSA-N 2 1 294.826 2.908 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582927 383628821 /nfs/dbraw/zinc/62/88/21/383628821.db2.gz ZFMFMUVDFYYLIO-NZSAHSFTSA-N 2 1 296.414 2.888 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582924 383628844 /nfs/dbraw/zinc/62/88/44/383628844.db2.gz ZFMFMUVDFYYLIO-BHIYHBOVSA-N 2 1 296.414 2.888 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582930 383628959 /nfs/dbraw/zinc/62/89/59/383628959.db2.gz ZFMFMUVDFYYLIO-QXAKKESOSA-N 2 1 296.414 2.888 10 0 CFAEMP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000020189371 393486527 /nfs/dbraw/zinc/48/65/27/393486527.db2.gz RTVMDDKBPFVORU-INIZCTEOSA-N 2 1 274.408 2.973 10 0 CFAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588742 393564442 /nfs/dbraw/zinc/56/44/42/393564442.db2.gz DBOJSESHJYLWEM-STQMWFEESA-N 2 1 260.372 2.886 10 0 CFAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381668275 393565975 /nfs/dbraw/zinc/56/59/75/393565975.db2.gz KSQHKVXLXOIRKJ-QWHCGFSZSA-N 2 1 260.372 2.743 10 0 CFAEMP CCC[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195266448 393736480 /nfs/dbraw/zinc/73/64/80/393736480.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 1 267.442 2.615 10 0 CFAEMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261780302 393950771 /nfs/dbraw/zinc/95/07/71/393950771.db2.gz FJSQVCALUANNKY-CJNGLKHVSA-N 2 1 296.842 2.959 10 0 CFAEMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261780302 393950774 /nfs/dbraw/zinc/95/07/74/393950774.db2.gz FJSQVCALUANNKY-CJNGLKHVSA-N 2 1 296.842 2.959 10 0 CFAEMP C[N@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000530220150 394487582 /nfs/dbraw/zinc/48/75/82/394487582.db2.gz SKHPHGPEVVPCCI-GFCCVEGCSA-N 2 1 287.329 2.674 10 0 CFAEMP C[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000530220150 394487586 /nfs/dbraw/zinc/48/75/86/394487586.db2.gz SKHPHGPEVVPCCI-GFCCVEGCSA-N 2 1 287.329 2.674 10 0 CFAEMP CC(C)(C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647512613 395367449 /nfs/dbraw/zinc/36/74/49/395367449.db2.gz IRJSETZHOHMZRQ-NUEKZKHPSA-N 2 1 258.409 2.633 10 0 CFAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000401785852 413169541 /nfs/dbraw/zinc/16/95/41/413169541.db2.gz ZQEOMCPQBMCPLS-XKGSQUFQSA-N 2 1 264.335 2.695 10 0 CFAEMP CC(C)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334935 413254346 /nfs/dbraw/zinc/25/43/46/413254346.db2.gz VSJHXEGMCCQCJF-SJLPKXTDSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334935 413254354 /nfs/dbraw/zinc/25/43/54/413254354.db2.gz VSJHXEGMCCQCJF-SJLPKXTDSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334935 413254359 /nfs/dbraw/zinc/25/43/59/413254359.db2.gz VSJHXEGMCCQCJF-SJLPKXTDSA-N 2 1 290.451 2.600 10 0 CFAEMP CC(C)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334935 413254365 /nfs/dbraw/zinc/25/43/65/413254365.db2.gz VSJHXEGMCCQCJF-SJLPKXTDSA-N 2 1 290.451 2.600 10 0 CFAEMP C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C[NH3+])c1 ZINC000020266387 171122898 /nfs/dbraw/zinc/12/28/98/171122898.db2.gz CUGVLJUTGWYBHZ-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP CC1CC[NH+](CC[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273971 171130544 /nfs/dbraw/zinc/13/05/44/171130544.db2.gz SPTAJXWWPGYCBW-OAHLLOKOSA-N 2 1 250.361 2.948 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210314 173032782 /nfs/dbraw/zinc/03/27/82/173032782.db2.gz UVIYACTZOYWZIG-CABCVRRESA-N 2 1 256.434 2.513 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220961 173039174 /nfs/dbraw/zinc/03/91/74/173039174.db2.gz AHVRXJYOBKLSMB-YSVLISHTSA-N 2 1 258.409 2.994 10 0 CFAEMP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221929 173041363 /nfs/dbraw/zinc/04/13/63/173041363.db2.gz NVFKUCIVSKYEOY-GXTWGEPZSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1cc[nH+]c(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656609840 414616173 /nfs/dbraw/zinc/61/61/73/414616173.db2.gz XXWBCCMELCONKN-OAHLLOKOSA-N 2 1 259.397 2.606 10 0 CFAEMP [NH3+]CC12CC(C1)CN2c1cc[nH+]c2cc(Cl)ccc21 ZINC000656611910 414617810 /nfs/dbraw/zinc/61/78/10/414617810.db2.gz OREQOPBJYWZJJW-UHFFFAOYSA-N 2 1 273.767 2.816 10 0 CFAEMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000038097921 174112388 /nfs/dbraw/zinc/11/23/88/174112388.db2.gz DZSZGCJYTXQKDF-MRXNPFEDSA-N 2 1 262.397 2.917 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2OC)C1 ZINC000040592200 174347871 /nfs/dbraw/zinc/34/78/71/174347871.db2.gz HQPQIBROJWRFSG-UONOGXRCSA-N 2 1 262.397 2.688 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2OC)C1 ZINC000040592200 174347872 /nfs/dbraw/zinc/34/78/72/174347872.db2.gz HQPQIBROJWRFSG-UONOGXRCSA-N 2 1 262.397 2.688 10 0 CFAEMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000040622099 174354883 /nfs/dbraw/zinc/35/48/83/174354883.db2.gz ZXOLZMUQFIORRN-GDBMZVCRSA-N 2 1 274.408 2.830 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000040622099 174354884 /nfs/dbraw/zinc/35/48/84/174354884.db2.gz ZXOLZMUQFIORRN-GDBMZVCRSA-N 2 1 274.408 2.830 10 0 CFAEMP C[C@H]1CCC[C@@](C[NH2+]CCc2ccccn2)([NH+](C)C)C1 ZINC000040669322 174368069 /nfs/dbraw/zinc/36/80/69/174368069.db2.gz ZKPHWEYIKCSALX-DOTOQJQBSA-N 2 1 275.440 2.724 10 0 CFAEMP CCC[N@@H+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747599 174392718 /nfs/dbraw/zinc/39/27/18/174392718.db2.gz AFUSMEFQZRGWMD-XYPWUTKMSA-N 2 1 274.408 2.887 10 0 CFAEMP CCCN(c1cccc(C)[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748930 174393945 /nfs/dbraw/zinc/39/39/45/174393945.db2.gz GJEHSAAGWHLHLV-YIONKMFJSA-N 2 1 259.397 2.889 10 0 CFAEMP COc1ccc(CC[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749447 174394415 /nfs/dbraw/zinc/39/44/15/174394415.db2.gz AHPDSBXYXXXSLG-LNRIEFBSSA-N 2 1 288.435 2.970 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccc(F)cc1 ZINC000040750312 174395302 /nfs/dbraw/zinc/39/53/02/174395302.db2.gz JGLOPNAYVVOQJE-AGUYFDCRSA-N 2 1 280.412 2.872 10 0 CFAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254576 174995128 /nfs/dbraw/zinc/99/51/28/174995128.db2.gz UBMUEVOPUFSYQX-QMMMGPOBSA-N 2 1 255.774 2.709 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc[nH+]c1C(C)C ZINC000043341420 175015379 /nfs/dbraw/zinc/01/53/79/175015379.db2.gz CFMXMSZKRZNGIA-OCCSQVGLSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1cccnc1)n1cc[nH+]c1C(C)C ZINC000043348866 175019274 /nfs/dbraw/zinc/01/92/74/175019274.db2.gz CGJQHGYTOAPQFL-ZIAGYGMSSA-N 2 1 258.369 2.728 10 0 CFAEMP COc1ccc(C[N@@H+](CCC[NH3+])CC(C)C)cc1F ZINC000043417423 175038192 /nfs/dbraw/zinc/03/81/92/175038192.db2.gz PYXWPAUUPPEUPB-UHFFFAOYSA-N 2 1 268.376 2.641 10 0 CFAEMP CC[N@H+](CCC(N)=[NH2+])Cc1ccc(C(F)(F)F)cc1 ZINC000043512048 175060461 /nfs/dbraw/zinc/06/04/61/175060461.db2.gz NUDAGPHNABOVJB-UHFFFAOYSA-N 2 1 273.302 2.853 10 0 CFAEMP CC[N@@H+](CCC(N)=[NH2+])Cc1ccc(C(F)(F)F)cc1 ZINC000043512048 175060463 /nfs/dbraw/zinc/06/04/63/175060463.db2.gz NUDAGPHNABOVJB-UHFFFAOYSA-N 2 1 273.302 2.853 10 0 CFAEMP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818455 175113455 /nfs/dbraw/zinc/11/34/55/175113455.db2.gz UHRXGCZORFLPFL-QZTJIDSGSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+][C@H](C)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817819 175113464 /nfs/dbraw/zinc/11/34/64/175113464.db2.gz KPSAMFWNJDGRTE-SJLPKXTDSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818548 175113692 /nfs/dbraw/zinc/11/36/92/175113692.db2.gz ZMTABGDZBUIEDV-BBWFWOEESA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818582 175114108 /nfs/dbraw/zinc/11/41/08/175114108.db2.gz MGFXLEOCCPOJIF-HZPDHXFCSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CCC)C(C)C)OCCO2 ZINC000043885287 175116436 /nfs/dbraw/zinc/11/64/36/175116436.db2.gz OMOLUNNVKUHNRP-JKSUJKDBSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[N@@H+](C)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043886006 175116725 /nfs/dbraw/zinc/11/67/25/175116725.db2.gz MVCPBNPBKOLUMO-LBPRGKRZSA-N 2 1 250.386 2.817 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890352 175118193 /nfs/dbraw/zinc/11/81/93/175118193.db2.gz OGHYNRLUUSJGLW-KBMXLJTQSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896193 175119200 /nfs/dbraw/zinc/11/92/00/175119200.db2.gz NKSGOHAWPDTVMZ-HOTGVXAUSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895739 175119233 /nfs/dbraw/zinc/11/92/33/175119233.db2.gz UUJRMYHILFZGKA-HRCADAONSA-N 2 1 298.471 2.627 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](C)CCc1ccncc1 ZINC000043901942 175121668 /nfs/dbraw/zinc/12/16/68/175121668.db2.gz PEPJUSGTBSHTHU-HZPDHXFCSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000043901942 175121669 /nfs/dbraw/zinc/12/16/69/175121669.db2.gz PEPJUSGTBSHTHU-HZPDHXFCSA-N 2 1 263.429 2.723 10 0 CFAEMP CCOC1CC[NH+]([C@H]2CCCCCC[C@H]2[NH2+]C)CC1 ZINC000043906953 175122370 /nfs/dbraw/zinc/12/23/70/175122370.db2.gz UYCFKOFNWJLTLE-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902069 175122433 /nfs/dbraw/zinc/12/24/33/175122433.db2.gz XRHHSYRPOHWNRV-IAGOWNOFSA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902069 175122434 /nfs/dbraw/zinc/12/24/34/175122434.db2.gz XRHHSYRPOHWNRV-IAGOWNOFSA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907296 175123496 /nfs/dbraw/zinc/12/34/96/175123496.db2.gz WRKWEUHHCFYLJZ-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](CC)CCOC)c1 ZINC000043968723 175129728 /nfs/dbraw/zinc/12/97/28/175129728.db2.gz QKJRJIXFQGLZCQ-AWEZNQCLSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969443 175130587 /nfs/dbraw/zinc/13/05/87/175130587.db2.gz ZBNMFZLMSGMLHT-VGWMRTNUSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969443 175130588 /nfs/dbraw/zinc/13/05/88/175130588.db2.gz ZBNMFZLMSGMLHT-VGWMRTNUSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043973086 175132424 /nfs/dbraw/zinc/13/24/24/175132424.db2.gz ODBGWAMRJHQIPV-QLFBSQMISA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000043973443 175132482 /nfs/dbraw/zinc/13/24/82/175132482.db2.gz WHBWEYXLGHGVEO-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973443 175132483 /nfs/dbraw/zinc/13/24/83/175132483.db2.gz WHBWEYXLGHGVEO-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](C)CC[N@H+]1CCC[C@H](OCCC)C1 ZINC000043971321 175132537 /nfs/dbraw/zinc/13/25/37/175132537.db2.gz UERUXACJVLUOGK-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977959 175133333 /nfs/dbraw/zinc/13/33/33/175133333.db2.gz CKFFSFDLAMVCQD-MCIONIFRSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977959 175133334 /nfs/dbraw/zinc/13/33/34/175133334.db2.gz CKFFSFDLAMVCQD-MCIONIFRSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977471 175133531 /nfs/dbraw/zinc/13/35/31/175133531.db2.gz RUGBGVFORSTBTC-CWRNSKLLSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977121 175133780 /nfs/dbraw/zinc/13/37/80/175133780.db2.gz ILUVESSRXWOZOI-UKRRQHHQSA-N 2 1 258.450 2.900 10 0 CFAEMP CC[N@@H+](Cc1cc([C@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981225 175134136 /nfs/dbraw/zinc/13/41/36/175134136.db2.gz WLMQCYWYYIEWMB-KBPBESRZSA-N 2 1 294.439 2.832 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OCC)cc1 ZINC000043994276 175136150 /nfs/dbraw/zinc/13/61/50/175136150.db2.gz QNENNTVZUUNNQN-MRXNPFEDSA-N 2 1 273.380 2.941 10 0 CFAEMP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)n1cc[nH+]c1C ZINC000043994512 175136629 /nfs/dbraw/zinc/13/66/29/175136629.db2.gz UGPSOGOEXBCFNX-IAQYHMDHSA-N 2 1 259.353 2.722 10 0 CFAEMP Cc1ccc(SCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529375 175194503 /nfs/dbraw/zinc/19/45/03/175194503.db2.gz MFQJYNYVYWRYOL-CQSZACIVSA-N 2 1 264.438 2.758 10 0 CFAEMP COc1ccccc1C1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000044533467 175197758 /nfs/dbraw/zinc/19/77/58/175197758.db2.gz QYSXWKPRYDGSPL-QQFBHYJXSA-N 2 1 288.435 2.873 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000044561422 175204850 /nfs/dbraw/zinc/20/48/50/175204850.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CCCC[NH+]2C)C1 ZINC000044561422 175204851 /nfs/dbraw/zinc/20/48/51/175204851.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CCCC[NH+]2C)C1 ZINC000044561422 175204853 /nfs/dbraw/zinc/20/48/53/175204853.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044561422 175204855 /nfs/dbraw/zinc/20/48/55/175204855.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC000044561422 175204857 /nfs/dbraw/zinc/20/48/57/175204857.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP C[N@@H+](CCOc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068188 175300222 /nfs/dbraw/zinc/30/02/22/175300222.db2.gz FKYBVBOUHGEHOK-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000045171947 175321039 /nfs/dbraw/zinc/32/10/39/175321039.db2.gz MCECWUOUXUTROG-KBPBESRZSA-N 2 1 292.471 2.810 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384912 175372099 /nfs/dbraw/zinc/37/20/99/175372099.db2.gz LOWLFRFBUMXMBV-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384912 175372100 /nfs/dbraw/zinc/37/21/00/175372100.db2.gz LOWLFRFBUMXMBV-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387640 175374144 /nfs/dbraw/zinc/37/41/44/175374144.db2.gz ATHVFKXRLSKXRA-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387640 175374145 /nfs/dbraw/zinc/37/41/45/175374145.db2.gz ATHVFKXRLSKXRA-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CC1(C)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000076697552 177061119 /nfs/dbraw/zinc/06/11/19/177061119.db2.gz IIYDMQNCWMPTCT-CVEARBPZSA-N 2 1 258.409 2.897 10 0 CFAEMP c1ccc(C[C@H]2CC[NH2+][C@@H]2C[NH+]2CCCCC2)cc1 ZINC000039277485 260171610 /nfs/dbraw/zinc/17/16/10/260171610.db2.gz DANSRUVTWYEJOA-IAGOWNOFSA-N 2 1 258.409 2.693 10 0 CFAEMP CC1(C)C[N@@H+](C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569206 278335750 /nfs/dbraw/zinc/33/57/50/278335750.db2.gz JPUZFWSHDVLHNY-RYUDHWBXSA-N 2 1 260.372 2.871 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1Br ZINC000164075774 279302244 /nfs/dbraw/zinc/30/22/44/279302244.db2.gz YQPLJEZTIGETLZ-LLVKDONJSA-N 2 1 298.228 2.765 10 0 CFAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1Br ZINC000164075774 279302245 /nfs/dbraw/zinc/30/22/45/279302245.db2.gz YQPLJEZTIGETLZ-LLVKDONJSA-N 2 1 298.228 2.765 10 0 CFAEMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000093464184 279372111 /nfs/dbraw/zinc/37/21/11/279372111.db2.gz FBXIWRFZPNFKFI-UMVBOHGHSA-N 2 1 260.381 2.630 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3cnccn3)C2)[nH+]1 ZINC000248624701 281245845 /nfs/dbraw/zinc/24/58/45/281245845.db2.gz OSVDPFJKBMGDSR-CABCVRRESA-N 2 1 297.406 2.675 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)CCC)CCOCC1 ZINC000052181207 519910330 /nfs/dbraw/zinc/91/03/30/519910330.db2.gz ZRXRERUIHBHNGQ-UHFFFAOYSA-N 2 1 256.434 2.515 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C(C)(C)CC)O1 ZINC000069448475 519935665 /nfs/dbraw/zinc/93/56/65/519935665.db2.gz QJRQVBCXCJGVCE-KGLIPLIRSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000052444157 519999416 /nfs/dbraw/zinc/99/94/16/519999416.db2.gz UWAWIFPTAYVGIL-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000062740996 520516549 /nfs/dbraw/zinc/51/65/49/520516549.db2.gz AOWIJLNXERDABD-AWEZNQCLSA-N 2 1 270.804 2.526 10 0 CFAEMP CCCC[C@](CC)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000069380343 521252873 /nfs/dbraw/zinc/25/28/73/521252873.db2.gz KJGLVKVNJFMKGC-MRXNPFEDSA-N 2 1 269.477 2.558 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+](C)Cc1cccc(F)c1 ZINC000052425299 522163583 /nfs/dbraw/zinc/16/35/83/522163583.db2.gz QCDLQKZCASZWCY-UHFFFAOYSA-N 2 1 262.328 2.770 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425299 522163593 /nfs/dbraw/zinc/16/35/93/522163593.db2.gz QCDLQKZCASZWCY-UHFFFAOYSA-N 2 1 262.328 2.770 10 0 CFAEMP CC(C)(C)[NH2+]CCCCC[N@H+]1CCOC(C)(C)C1 ZINC000052481871 518756016 /nfs/dbraw/zinc/75/60/16/518756016.db2.gz BCKZKEFDVBAACW-UHFFFAOYSA-N 2 1 256.434 2.656 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180695 519719710 /nfs/dbraw/zinc/71/97/10/519719710.db2.gz OOUVUWJREXHRCQ-OAHLLOKOSA-N 2 1 268.445 2.656 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000052484493 519727128 /nfs/dbraw/zinc/72/71/28/519727128.db2.gz YLQYERUEHKHLFT-HNNXBMFYSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)[NH2+]Cc1occc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453281 519730133 /nfs/dbraw/zinc/73/01/33/519730133.db2.gz PTWDGTJWFUWACT-CYBMUJFWSA-N 2 1 268.426 2.715 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456384 519745389 /nfs/dbraw/zinc/74/53/89/519745389.db2.gz RDIYPSSFKQKOMS-LSDHHAIUSA-N 2 1 296.480 2.973 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475783 519747545 /nfs/dbraw/zinc/74/75/45/519747545.db2.gz YITRBNYNFOXVIV-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475783 519747547 /nfs/dbraw/zinc/74/75/47/519747547.db2.gz YITRBNYNFOXVIV-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)[C@@H](CN(C)C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049208449 519793580 /nfs/dbraw/zinc/79/35/80/519793580.db2.gz ZSJAMBOVDKMZDT-SOABOVLPSA-N 2 1 295.515 2.671 10 0 CFAEMP CC(C)[C@@H](CN(C)C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000049208449 519793581 /nfs/dbraw/zinc/79/35/81/519793581.db2.gz ZSJAMBOVDKMZDT-SOABOVLPSA-N 2 1 295.515 2.671 10 0 CFAEMP CCC[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418957 519919189 /nfs/dbraw/zinc/91/91/89/519919189.db2.gz GRFVOMMIDHYKOP-KRWDZBQOSA-N 2 1 289.467 2.895 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@@H](C)CC)on1 ZINC000052454088 519944315 /nfs/dbraw/zinc/94/43/15/519944315.db2.gz BXCQRKUIWKAUEN-LBPRGKRZSA-N 2 1 253.390 2.652 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380769 519949686 /nfs/dbraw/zinc/94/96/86/519949686.db2.gz CZTNKDFJDWORFM-GASCZTMLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476661 519951065 /nfs/dbraw/zinc/95/10/65/519951065.db2.gz COXZDSLGDSIZTL-GJZGRUSLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000052476332 519953999 /nfs/dbraw/zinc/95/39/99/519953999.db2.gz VOPJHJWWXAABBP-GJZGRUSLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000052476332 519954005 /nfs/dbraw/zinc/95/40/05/519954005.db2.gz VOPJHJWWXAABBP-GJZGRUSLSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476746 519957236 /nfs/dbraw/zinc/95/72/36/519957236.db2.gz RYOYMCHHRMBBQO-LSDHHAIUSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)C2)oc1C ZINC000052381241 519988407 /nfs/dbraw/zinc/98/84/07/519988407.db2.gz ZPPWJJKYCTYBGI-LBPRGKRZSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000052453128 520004706 /nfs/dbraw/zinc/00/47/06/520004706.db2.gz XOIYTSKPGRAMRD-HNNXBMFYSA-N 2 1 264.438 2.733 10 0 CFAEMP CC[NH2+][C@@H](C)CCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055065115 520072651 /nfs/dbraw/zinc/07/26/51/520072651.db2.gz XGYIKMDZDIQRGT-JKSUJKDBSA-N 2 1 269.477 2.571 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000054555497 520121028 /nfs/dbraw/zinc/12/10/28/520121028.db2.gz RSBOZVFTAYGKIC-JJXSEGSLSA-N 2 1 270.461 2.756 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000054555497 520121035 /nfs/dbraw/zinc/12/10/35/520121035.db2.gz RSBOZVFTAYGKIC-JJXSEGSLSA-N 2 1 270.461 2.756 10 0 CFAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C)CC[NH2+]CC(C)C)C1 ZINC000052371685 520273479 /nfs/dbraw/zinc/27/34/79/520273479.db2.gz UNXHDXWVMTWLBO-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CC1CCC([N@@H+](C)C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000048970030 520934317 /nfs/dbraw/zinc/93/43/17/520934317.db2.gz XIHNGJSYXHZEGY-IMRCBTMISA-N 2 1 276.424 2.689 10 0 CFAEMP CC[N@@H+](CCCC[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000052510544 521004879 /nfs/dbraw/zinc/00/48/79/521004879.db2.gz IDVBHTPWCTTZDO-OAHLLOKOSA-N 2 1 256.434 2.513 10 0 CFAEMP CCCC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538840 521073831 /nfs/dbraw/zinc/07/38/31/521073831.db2.gz ANXOPOXHLWETGN-JOYOIKCWSA-N 2 1 255.431 2.928 10 0 CFAEMP CCCC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538842 521074108 /nfs/dbraw/zinc/07/41/08/521074108.db2.gz ANXOPOXHLWETGN-BXKDBHETSA-N 2 1 255.431 2.928 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC1CC1)[NH2+]C(C)C ZINC000069239526 521145464 /nfs/dbraw/zinc/14/54/64/521145464.db2.gz OBXSBGJATCVLRP-QGZVFWFLSA-N 2 1 298.471 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC1CC1)[NH2+]C(C)C ZINC000069239526 521145470 /nfs/dbraw/zinc/14/54/70/521145470.db2.gz OBXSBGJATCVLRP-QGZVFWFLSA-N 2 1 298.471 2.818 10 0 CFAEMP CCCn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157471051 521656674 /nfs/dbraw/zinc/65/66/74/521656674.db2.gz LESLPEDGBFOWRF-HZPDHXFCSA-N 2 1 261.413 2.615 10 0 CFAEMP CCN1CC[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052422473 521688007 /nfs/dbraw/zinc/68/80/07/521688007.db2.gz VSCWZMUWJSWGAU-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052422542 521689164 /nfs/dbraw/zinc/68/91/64/521689164.db2.gz AIKVIRWVBWOYQF-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1cccs1 ZINC000054601510 521954813 /nfs/dbraw/zinc/95/48/13/521954813.db2.gz XYPNTILGDATBTH-AGUYFDCRSA-N 2 1 264.438 2.896 10 0 CFAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000052378809 522133880 /nfs/dbraw/zinc/13/38/80/522133880.db2.gz UHULWHDGXSWZDH-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCCC[C@H]2C)c1 ZINC000052378808 522134830 /nfs/dbraw/zinc/13/48/30/522134830.db2.gz UHULWHDGXSWZDH-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[C@H]([NH3+])Cc1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049331375 522332762 /nfs/dbraw/zinc/33/27/62/522332762.db2.gz SBQKKFRWVHZJHE-HNNXBMFYSA-N 2 1 273.380 2.550 10 0 CFAEMP CC[C@@H]([NH3+])Cc1ccccc1OCCn1cc[nH+]c1C ZINC000049331385 522644640 /nfs/dbraw/zinc/64/46/40/522644640.db2.gz TXSXZDSFZJOTBA-OAHLLOKOSA-N 2 1 273.380 2.550 10 0 CFAEMP C[N@@H+](CCC[NH2+]CC1CCOCC1)Cc1ccccc1 ZINC000052171823 522773132 /nfs/dbraw/zinc/77/31/32/522773132.db2.gz ZFAZJMGVYGNTOX-UHFFFAOYSA-N 2 1 276.424 2.525 10 0 CFAEMP CC[C@H]1CCCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181296 523019533 /nfs/dbraw/zinc/01/95/33/523019533.db2.gz VEXWTMLIMGGLMH-INIZCTEOSA-N 2 1 280.456 2.800 10 0 CFAEMP CC[C@H]1CCCC[N@@H+]1Cc1csc(C[NH2+]C)n1 ZINC000052447157 523027914 /nfs/dbraw/zinc/02/79/14/523027914.db2.gz TYDLTSWFUSQEMA-LBPRGKRZSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[C@H]1CCCC[N@H+]1Cc1csc(C[NH2+]C)n1 ZINC000052447157 523027919 /nfs/dbraw/zinc/02/79/19/523027919.db2.gz TYDLTSWFUSQEMA-LBPRGKRZSA-N 2 1 253.415 2.627 10 0 CFAEMP C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231464791 523178494 /nfs/dbraw/zinc/17/84/94/523178494.db2.gz VJJNCEBVPDPPHR-NSHDSACASA-N 2 1 272.314 2.678 10 0 CFAEMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231464791 523178503 /nfs/dbraw/zinc/17/85/03/523178503.db2.gz VJJNCEBVPDPPHR-NSHDSACASA-N 2 1 272.314 2.678 10 0 CFAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCC[NH2+]CC(C)C ZINC000052571159 523506124 /nfs/dbraw/zinc/50/61/24/523506124.db2.gz YRRWJCYLAONMKR-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[C@H](C)[N@@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052547196 523935211 /nfs/dbraw/zinc/93/52/11/523935211.db2.gz VECBJPUEZACCQL-AWEZNQCLSA-N 2 1 258.450 2.902 10 0 CFAEMP C[C@H](CCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000052419146 524143095 /nfs/dbraw/zinc/14/30/95/524143095.db2.gz MMOFMBRHQHHECV-CQSZACIVSA-N 2 1 258.409 2.965 10 0 CFAEMP Cc1ccc(C)c(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231668970 524177950 /nfs/dbraw/zinc/17/79/50/524177950.db2.gz WMUJUJJOTXGKTO-MRXNPFEDSA-N 2 1 276.424 2.756 10 0 CFAEMP Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n1 ZINC000049554290 524333886 /nfs/dbraw/zinc/33/38/86/524333886.db2.gz IEJHUIULAXJYMA-JSGCOSHPSA-N 2 1 263.429 2.998 10 0 CFAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000049009695 524389529 /nfs/dbraw/zinc/38/95/29/524389529.db2.gz CBFXQGRZUDBVCE-HIFRSBDPSA-N 2 1 289.423 2.594 10 0 CFAEMP C[C@H](C[NH2+]C1CC1)C[N@H+](C)Cc1cccc(F)c1 ZINC000052425262 524478928 /nfs/dbraw/zinc/47/89/28/524478928.db2.gz YGQGYGUQZFBNHQ-GFCCVEGCSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H](C[NH2+]C1CC1)C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425262 524478934 /nfs/dbraw/zinc/47/89/34/524478934.db2.gz YGQGYGUQZFBNHQ-GFCCVEGCSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H]1COCC[N@@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052475947 524721178 /nfs/dbraw/zinc/72/11/78/524721178.db2.gz XDQIEMVNLFNFKL-NSHDSACASA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@H]1COCC[N@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052475947 524721190 /nfs/dbraw/zinc/72/11/90/524721190.db2.gz XDQIEMVNLFNFKL-NSHDSACASA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])C[C@H](C)O1 ZINC000052380614 525037994 /nfs/dbraw/zinc/03/79/94/525037994.db2.gz XFADDDGWMMWTLR-TXEJJXNPSA-N 2 1 274.364 2.501 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])C[C@H](C)O1 ZINC000052380614 525038003 /nfs/dbraw/zinc/03/80/03/525038003.db2.gz XFADDDGWMMWTLR-TXEJJXNPSA-N 2 1 274.364 2.501 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000050563603 525640463 /nfs/dbraw/zinc/64/04/63/525640463.db2.gz PCBVITIMLIIBLN-LSDHHAIUSA-N 2 1 276.424 2.687 10 0 CFAEMP Cc1nccn1CC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049329591 527424480 /nfs/dbraw/zinc/42/44/80/527424480.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 2 1 278.444 2.565 10 0 CFAEMP CCC1(CC)CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757139339 617793852 /nfs/dbraw/zinc/79/38/52/617793852.db2.gz GVKMLDDWQVZIJF-UHFFFAOYSA-N 2 1 252.402 2.510 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261721449 618375470 /nfs/dbraw/zinc/37/54/70/618375470.db2.gz QFHBZQKOLMVNOB-JQFCIGGWSA-N 2 1 281.403 2.712 10 0 CFAEMP CCCCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000157960422 623084860 /nfs/dbraw/zinc/08/48/60/623084860.db2.gz AWMOMCSQTHSTLP-HNNXBMFYSA-N 2 1 270.461 2.591 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)cc1 ZINC000757068375 630860299 /nfs/dbraw/zinc/86/02/99/630860299.db2.gz KJMBUOZESIYYAR-CALCHBBNSA-N 2 1 256.393 2.652 10 0 CFAEMP C[NH+](C)[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096110900 185101007 /nfs/dbraw/zinc/10/10/07/185101007.db2.gz UPTTTXSREJYWAB-DLBZAZTESA-N 2 1 292.398 2.511 10 0 CFAEMP CCn1nccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000128275075 187361142 /nfs/dbraw/zinc/36/11/42/187361142.db2.gz BJLXNTIMUBIPSF-OAHLLOKOSA-N 2 1 299.422 2.540 10 0 CFAEMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818499 179347730 /nfs/dbraw/zinc/34/77/30/179347730.db2.gz KZFLBZPDAGMQKD-GOEBONIOSA-N 2 1 276.424 2.787 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818843 179347931 /nfs/dbraw/zinc/34/79/31/179347931.db2.gz ISCGWZFNQUXEEV-DZGCQCFKSA-N 2 1 292.423 2.839 10 0 CFAEMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)s1 ZINC000086818860 179348788 /nfs/dbraw/zinc/34/87/88/179348788.db2.gz ZPWQWTUYAFVUBQ-WCQYABFASA-N 2 1 267.442 2.895 10 0 CFAEMP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818622 179346668 /nfs/dbraw/zinc/34/66/68/179346668.db2.gz CVKJTHOGLARRJZ-KRWDZBQOSA-N 2 1 276.424 2.797 10 0 CFAEMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818724 179346789 /nfs/dbraw/zinc/34/67/89/179346789.db2.gz NVKGHPNIJMKZNI-GDBMZVCRSA-N 2 1 276.424 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086846999 179356394 /nfs/dbraw/zinc/35/63/94/179356394.db2.gz LLQJEMQZSAVNJO-INIZCTEOSA-N 2 1 295.496 2.772 10 0 CFAEMP CC[N@H+]1CCC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086836614 179351184 /nfs/dbraw/zinc/35/11/84/179351184.db2.gz YVRHZYJDVQIPGS-AWEZNQCLSA-N 2 1 281.488 2.760 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086836614 179351186 /nfs/dbraw/zinc/35/11/86/179351186.db2.gz YVRHZYJDVQIPGS-AWEZNQCLSA-N 3 1 281.488 2.760 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086836614 179351189 /nfs/dbraw/zinc/35/11/89/179351189.db2.gz YVRHZYJDVQIPGS-AWEZNQCLSA-N 3 1 281.488 2.760 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851243 179359717 /nfs/dbraw/zinc/35/97/17/179359717.db2.gz UPUCTRBPIBLOLN-QGZVFWFLSA-N 3 1 281.488 2.572 10 0 CFAEMP C[C@@H]1C[C@]2(C[N@H+]1Cc1ccccc1)CC[NH2+]C[C@@H]2C ZINC000306493119 348388198 /nfs/dbraw/zinc/38/81/98/348388198.db2.gz YRPTZCWYPIRPQQ-UXLLHSPISA-N 2 1 258.409 2.897 10 0 CFAEMP COc1ccc(CC[C@](C)(C[NH3+])[NH2+]CC(C)C)cc1 ZINC000087911676 179519418 /nfs/dbraw/zinc/51/94/18/179519418.db2.gz ZJFOOPUALITMOY-MRXNPFEDSA-N 2 1 264.413 2.591 10 0 CFAEMP CCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862886 186081245 /nfs/dbraw/zinc/08/12/45/186081245.db2.gz YUHMUWZNRNHXTI-GOSISDBHSA-N 2 1 290.451 2.774 10 0 CFAEMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C[NH3+] ZINC000630565922 355113825 /nfs/dbraw/zinc/11/38/25/355113825.db2.gz CHTOTHQFSFYORO-QWRGUYRKSA-N 2 1 275.783 2.919 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842267 355604109 /nfs/dbraw/zinc/60/41/09/355604109.db2.gz XWNNZTTVLCJZFI-HIFRSBDPSA-N 2 1 262.397 2.500 10 0 CFAEMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151273661 540372588 /nfs/dbraw/zinc/37/25/88/540372588.db2.gz IWLBJMQQPFAZNW-JKSUJKDBSA-N 2 1 268.445 2.558 10 0 CFAEMP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275452480 193043669 /nfs/dbraw/zinc/04/36/69/193043669.db2.gz GOIWGSWEPSCEIT-YLSAJCSVSA-N 2 1 285.366 2.888 10 0 CFAEMP CC(C)c1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cn2)cc1 ZINC000067909882 374016155 /nfs/dbraw/zinc/01/61/55/374016155.db2.gz RPPKMUAQNWPARQ-HNNXBMFYSA-N 2 1 298.434 2.776 10 0 CFAEMP CC(C)c1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)cn2)cc1 ZINC000067909882 374016159 /nfs/dbraw/zinc/01/61/59/374016159.db2.gz RPPKMUAQNWPARQ-HNNXBMFYSA-N 2 1 298.434 2.776 10 0 CFAEMP c1ccc(C[NH+](Cc2ccccc2)[C@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000100642828 375625826 /nfs/dbraw/zinc/62/58/26/375625826.db2.gz KDGSINLHKLATBU-REPLKXPHSA-N 2 1 278.399 2.907 10 0 CFAEMP C[NH2+][C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000129153059 377392695 /nfs/dbraw/zinc/39/26/95/377392695.db2.gz LZODAHFYQXAWQX-LLVKDONJSA-N 2 1 261.756 2.686 10 0 CFAEMP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130158294 377517156 /nfs/dbraw/zinc/51/71/56/377517156.db2.gz KIVWWUVGGLYXMP-UXLLHSPISA-N 2 1 256.393 2.890 10 0 CFAEMP CCC[C@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)N(C)C ZINC000161865401 378876791 /nfs/dbraw/zinc/87/67/91/378876791.db2.gz JWSDYOUPCGQJBX-CQSZACIVSA-N 2 1 286.379 2.746 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]1 ZINC000171827033 379414006 /nfs/dbraw/zinc/41/40/06/379414006.db2.gz LWNGCXGIFSVMNJ-MRXNPFEDSA-N 2 1 289.423 2.550 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000171827033 379414016 /nfs/dbraw/zinc/41/40/16/379414016.db2.gz LWNGCXGIFSVMNJ-MRXNPFEDSA-N 2 1 289.423 2.550 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172163289 379507328 /nfs/dbraw/zinc/50/73/28/379507328.db2.gz VHDOITPRPGADPH-INIZCTEOSA-N 2 1 284.407 2.720 10 0 CFAEMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974834 380497910 /nfs/dbraw/zinc/49/79/10/380497910.db2.gz UYJMARFUNRXXPG-CVEARBPZSA-N 2 1 280.456 2.656 10 0 CFAEMP C[C@H]([NH2+]Cc1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000400457644 380862405 /nfs/dbraw/zinc/86/24/05/380862405.db2.gz SVZOBNZXYWININ-DTWKUNHWSA-N 2 1 289.242 2.598 10 0 CFAEMP CC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188648794 382448773 /nfs/dbraw/zinc/44/87/73/382448773.db2.gz DHPXMVSXOKPOSU-NVXWUHKLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648794 382448758 /nfs/dbraw/zinc/44/87/58/382448758.db2.gz DHPXMVSXOKPOSU-NVXWUHKLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648794 382448764 /nfs/dbraw/zinc/44/87/64/382448764.db2.gz DHPXMVSXOKPOSU-NVXWUHKLSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188648794 382448768 /nfs/dbraw/zinc/44/87/68/382448768.db2.gz DHPXMVSXOKPOSU-NVXWUHKLSA-N 2 1 275.440 2.881 10 0 CFAEMP Cc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)ccc1F ZINC000188407100 382408053 /nfs/dbraw/zinc/40/80/53/382408053.db2.gz AYBNOGYRRMWTCY-HNNXBMFYSA-N 2 1 273.355 2.995 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768427 382516469 /nfs/dbraw/zinc/51/64/69/382516469.db2.gz RDSDYFNRWQGTFM-UHOFOFEASA-N 2 1 294.826 2.778 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768425 382516541 /nfs/dbraw/zinc/51/65/41/382516541.db2.gz RDSDYFNRWQGTFM-APHBMKBZSA-N 2 1 294.826 2.778 10 0 CFAEMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H](C(N)=O)c1ccccc1 ZINC000328627208 382557104 /nfs/dbraw/zinc/55/71/04/382557104.db2.gz FVWMUIWDQWTPLL-CZUORRHYSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H](C(N)=O)c1ccccc1 ZINC000328627208 382557107 /nfs/dbraw/zinc/55/71/07/382557107.db2.gz FVWMUIWDQWTPLL-CZUORRHYSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000231456746 382865018 /nfs/dbraw/zinc/86/50/18/382865018.db2.gz AEEUQEQKGFNDDD-HNNXBMFYSA-N 2 1 294.826 2.849 10 0 CFAEMP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000231456746 382865020 /nfs/dbraw/zinc/86/50/20/382865020.db2.gz AEEUQEQKGFNDDD-HNNXBMFYSA-N 2 1 294.826 2.849 10 0 CFAEMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998833 383454485 /nfs/dbraw/zinc/45/44/85/383454485.db2.gz LOXUEKNRVGXXEP-WCQYABFASA-N 2 1 258.365 2.768 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]12 ZINC000261604282 383526178 /nfs/dbraw/zinc/52/61/78/383526178.db2.gz CMXYSVLXGJKCRB-NUEKZKHPSA-N 2 1 299.443 2.979 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]12 ZINC000261604282 383526184 /nfs/dbraw/zinc/52/61/84/383526184.db2.gz CMXYSVLXGJKCRB-NUEKZKHPSA-N 2 1 299.443 2.979 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]12 ZINC000261626800 383532175 /nfs/dbraw/zinc/53/21/75/383532175.db2.gz HEPGMECZZOOKPN-VNQPRFMTSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)C[C@H]12 ZINC000261690739 383543513 /nfs/dbraw/zinc/54/35/13/383543513.db2.gz NHZNZTDOLIJRLR-UHOFOFEASA-N 2 1 285.366 2.543 10 0 CFAEMP CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261964427 383587962 /nfs/dbraw/zinc/58/79/62/383587962.db2.gz PXLLBLFEAOBESN-OAGGEKHMSA-N 2 1 282.472 2.950 10 0 CFAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261990003 383590747 /nfs/dbraw/zinc/59/07/47/383590747.db2.gz SHLMVWGBWSSGIS-MGPQQGTHSA-N 2 1 291.464 2.743 10 0 CFAEMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC000261988689 383590880 /nfs/dbraw/zinc/59/08/80/383590880.db2.gz SDRGNNMRUAVHSG-HNNXBMFYSA-N 2 1 262.397 2.578 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@@H]12 ZINC000262098269 383605232 /nfs/dbraw/zinc/60/52/32/383605232.db2.gz IIKRESXXQFIFFA-MPKXVKKWSA-N 2 1 298.789 2.527 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@@H]12 ZINC000262098269 383605235 /nfs/dbraw/zinc/60/52/35/383605235.db2.gz IIKRESXXQFIFFA-MPKXVKKWSA-N 2 1 298.789 2.527 10 0 CFAEMP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124811400 285314845 /nfs/dbraw/zinc/31/48/45/285314845.db2.gz MMFWWHUMVPFRNL-OKZBNKHCSA-N 2 1 294.483 2.878 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1C ZINC000045171404 393570176 /nfs/dbraw/zinc/57/01/76/393570176.db2.gz ZOXGKNXTKBCFBQ-SWLSCSKDSA-N 2 1 278.444 2.512 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000190910061 393584723 /nfs/dbraw/zinc/58/47/23/393584723.db2.gz VMWJIZQQHHYWRA-PVAVHDDUSA-N 2 1 291.439 2.707 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245958043 393841496 /nfs/dbraw/zinc/84/14/96/393841496.db2.gz XQACSMCCTPLIMX-VQHPVUNQSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245958043 393841498 /nfs/dbraw/zinc/84/14/98/393841498.db2.gz XQACSMCCTPLIMX-VQHPVUNQSA-N 2 1 294.483 2.900 10 0 CFAEMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261882649 393951377 /nfs/dbraw/zinc/95/13/77/393951377.db2.gz FMKYQNFVGURNJZ-DRRXZNNHSA-N 2 1 280.456 2.559 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086846467 135048564 /nfs/dbraw/zinc/04/85/64/135048564.db2.gz AKQNJCNTGYUEOU-SFHVURJKSA-N 2 1 287.451 2.643 10 0 CFAEMP C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022151718 171359191 /nfs/dbraw/zinc/35/91/91/171359191.db2.gz ITFMOLQZMILQMF-AWEZNQCLSA-N 2 1 289.423 2.596 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022155364 171361882 /nfs/dbraw/zinc/36/18/82/171361882.db2.gz AANVMEJQNPZUFS-CQSZACIVSA-N 2 1 289.423 2.738 10 0 CFAEMP CCOc1ccc([C@@H]([NH3+])CC[NH+](CC)CC)cc1 ZINC000026510296 171490167 /nfs/dbraw/zinc/49/01/67/171490167.db2.gz CGDVUGXOQRAEJF-HNNXBMFYSA-N 2 1 250.386 2.817 10 0 CFAEMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])o1 ZINC000035699113 172366349 /nfs/dbraw/zinc/36/63/49/172366349.db2.gz HDCUXJHGWYBHAF-UXIGCNINSA-N 2 1 250.386 2.783 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@H+](C)C1 ZINC000037210089 173031276 /nfs/dbraw/zinc/03/12/76/173031276.db2.gz HNXPYMQVHNRRMX-OCCSQVGLSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000037210089 173031278 /nfs/dbraw/zinc/03/12/78/173031278.db2.gz HNXPYMQVHNRRMX-OCCSQVGLSA-N 2 1 250.361 2.646 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@H](C)c2scnc2C)CC1 ZINC000037236975 173054952 /nfs/dbraw/zinc/05/49/52/173054952.db2.gz WJJBZJZFBKBUOZ-GFCCVEGCSA-N 2 1 267.442 2.977 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000662271428 414486490 /nfs/dbraw/zinc/48/64/90/414486490.db2.gz GAFFZQDLVFUJGH-DEORAPPZSA-N 2 1 270.420 2.707 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1c1ccccc1 ZINC000662272168 414489048 /nfs/dbraw/zinc/48/90/48/414489048.db2.gz LSJVYKDWWDQAGA-SJORKVTESA-N 2 1 256.393 2.627 10 0 CFAEMP CC(C)C[C@H](C)[N@@H+](C)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000042584093 174807477 /nfs/dbraw/zinc/80/74/77/174807477.db2.gz IQVHIFIUJIASKM-ZDUSSCGKSA-N 2 1 277.412 2.716 10 0 CFAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389754 175033948 /nfs/dbraw/zinc/03/39/48/175033948.db2.gz ONATWUIBIKEKPV-NSHDSACASA-N 2 1 256.752 2.520 10 0 CFAEMP CCCC[C@@H](CC)CN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000043454527 175050099 /nfs/dbraw/zinc/05/00/99/175050099.db2.gz SMHCCRCNRAKRCE-QGZVFWFLSA-N 2 1 283.504 2.949 10 0 CFAEMP CCCC[C@@H](CC)C[N@H+]1CCCN(CCCC[NH3+])CC1 ZINC000043454527 175050096 /nfs/dbraw/zinc/05/00/96/175050096.db2.gz SMHCCRCNRAKRCE-QGZVFWFLSA-N 2 1 283.504 2.949 10 0 CFAEMP CCCC[C@@H](CC)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000043454527 175050097 /nfs/dbraw/zinc/05/00/97/175050097.db2.gz SMHCCRCNRAKRCE-QGZVFWFLSA-N 2 1 283.504 2.949 10 0 CFAEMP CC[C@H](C)[N@@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592065 175074323 /nfs/dbraw/zinc/07/43/23/175074323.db2.gz MAUUIJVUILBKLT-GJZGRUSLSA-N 2 1 256.434 2.513 10 0 CFAEMP C[NH2+][C@H](C)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819740 175113668 /nfs/dbraw/zinc/11/36/68/175113668.db2.gz QEYJBGYHEUGLIH-HUUCEWRRSA-N 2 1 260.425 2.938 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818585 175113722 /nfs/dbraw/zinc/11/37/22/175113722.db2.gz MGFXLEOCCPOJIF-CVEARBPZSA-N 2 1 269.477 2.571 10 0 CFAEMP CCCC[NH+](CCCC)[C@@H]1COCC[C@H]1[NH2+]CC ZINC000043819557 175113820 /nfs/dbraw/zinc/11/38/20/175113820.db2.gz LGTXLZOPWQUNNR-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895734 175119428 /nfs/dbraw/zinc/11/94/28/175119428.db2.gz UUJRMYHILFZGKA-XHSDSOJGSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902061 175122570 /nfs/dbraw/zinc/12/25/70/175122570.db2.gz XRHHSYRPOHWNRV-SJORKVTESA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902061 175122571 /nfs/dbraw/zinc/12/25/71/175122571.db2.gz XRHHSYRPOHWNRV-SJORKVTESA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907273 175123079 /nfs/dbraw/zinc/12/30/79/175123079.db2.gz DLHRJERTBKUWMX-BMFZPTHFSA-N 2 1 268.445 2.654 10 0 CFAEMP CCCC[N@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043968155 175129910 /nfs/dbraw/zinc/12/99/10/175129910.db2.gz OQALPMYXUNTZMT-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCCC[N@@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043968155 175129911 /nfs/dbraw/zinc/12/99/11/175129911.db2.gz OQALPMYXUNTZMT-JKSUJKDBSA-N 2 1 296.455 2.525 10 0 CFAEMP CCCC[N@H+]([C@@H](C)CC)[C@@H]1COCC[C@@H]1[NH2+]CC ZINC000043975439 175132472 /nfs/dbraw/zinc/13/24/72/175132472.db2.gz VJDFTKGCQJGYOZ-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCC[N@@H+]([C@@H](C)CC)[C@@H]1COCC[C@@H]1[NH2+]CC ZINC000043975439 175132474 /nfs/dbraw/zinc/13/24/74/175132474.db2.gz VJDFTKGCQJGYOZ-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CC(C)C)C(C)C ZINC000043974122 175132501 /nfs/dbraw/zinc/13/25/01/175132501.db2.gz FRDAQNMGZNULIJ-GJZGRUSLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CC(C)C)C(C)C ZINC000043974122 175132502 /nfs/dbraw/zinc/13/25/02/175132502.db2.gz FRDAQNMGZNULIJ-GJZGRUSLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977954 175133409 /nfs/dbraw/zinc/13/34/09/175133409.db2.gz CKFFSFDLAMVCQD-MJBXVCDLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977954 175133410 /nfs/dbraw/zinc/13/34/10/175133410.db2.gz CKFFSFDLAMVCQD-MJBXVCDLSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccccc1OCC ZINC000043994310 175136318 /nfs/dbraw/zinc/13/63/18/175136318.db2.gz WLKSKCPOQPSJBV-HNNXBMFYSA-N 2 1 273.380 2.941 10 0 CFAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)c1cc2ccccc2o1 ZINC000043994041 175136583 /nfs/dbraw/zinc/13/65/83/175136583.db2.gz SBUCKTMYOIERER-CYBMUJFWSA-N 2 1 255.321 2.898 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000044036574 175139980 /nfs/dbraw/zinc/13/99/80/175139980.db2.gz NYIAWXSMVRTEPO-ZBFHGGJFSA-N 2 1 255.365 2.894 10 0 CFAEMP C[N@@H+](CCOc1ccc(CC[NH3+])cc1)CC(C)(C)C ZINC000045068722 175300537 /nfs/dbraw/zinc/30/05/37/175300537.db2.gz UODKNNQBKCHZLT-UHFFFAOYSA-N 2 1 264.413 2.545 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000045168604 175320220 /nfs/dbraw/zinc/32/02/20/175320220.db2.gz GXEQIPOOTDRXOR-CQSZACIVSA-N 2 1 292.471 2.810 10 0 CFAEMP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045370464 175364370 /nfs/dbraw/zinc/36/43/70/175364370.db2.gz ADCLBFLESNUESN-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045370464 175364372 /nfs/dbraw/zinc/36/43/72/175364372.db2.gz ADCLBFLESNUESN-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381041 175370077 /nfs/dbraw/zinc/37/00/77/175370077.db2.gz HBNPKMOJUWWWEX-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381041 175370078 /nfs/dbraw/zinc/37/00/78/175370078.db2.gz HBNPKMOJUWWWEX-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387428 175372666 /nfs/dbraw/zinc/37/26/66/175372666.db2.gz VXIBQWZFQBYHMI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387428 175372667 /nfs/dbraw/zinc/37/26/67/175372667.db2.gz VXIBQWZFQBYHMI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387443 175372819 /nfs/dbraw/zinc/37/28/19/175372819.db2.gz JYMWVXOPRIYEBT-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387443 175372820 /nfs/dbraw/zinc/37/28/20/175372820.db2.gz JYMWVXOPRIYEBT-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390490 175375015 /nfs/dbraw/zinc/37/50/15/175375015.db2.gz CQDJXBGUNGCGQH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390490 175375016 /nfs/dbraw/zinc/37/50/16/175375016.db2.gz CQDJXBGUNGCGQH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393067 175375769 /nfs/dbraw/zinc/37/57/69/175375769.db2.gz MESGRUNKXWSCHA-YOEHRIQHSA-N 2 1 298.471 2.817 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393067 175375770 /nfs/dbraw/zinc/37/57/70/175375770.db2.gz MESGRUNKXWSCHA-YOEHRIQHSA-N 2 1 298.471 2.817 10 0 CFAEMP C[C@@H](Cc1cccs1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271963 176104877 /nfs/dbraw/zinc/10/48/77/176104877.db2.gz DEGGCTBWVLNLRG-WODVXLOZSA-N 2 1 250.411 2.633 10 0 CFAEMP CCCCc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071587054 176214528 /nfs/dbraw/zinc/21/45/28/176214528.db2.gz RTDMVTMHUYHFEQ-UHFFFAOYSA-N 2 1 260.425 2.867 10 0 CFAEMP CCCCc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071587054 176214529 /nfs/dbraw/zinc/21/45/29/176214529.db2.gz RTDMVTMHUYHFEQ-UHFFFAOYSA-N 2 1 260.425 2.867 10 0 CFAEMP C[N@@H+](CCc1ccncc1)CC[C@@H]1[NH2+]CCc2ccccc21 ZINC000076567865 177039565 /nfs/dbraw/zinc/03/95/65/177039565.db2.gz AFUGTYOGSFYNAH-IBGZPJMESA-N 2 1 295.430 2.833 10 0 CFAEMP C[N@H+](CCc1ccncc1)CC[C@@H]1[NH2+]CCc2ccccc21 ZINC000076567865 177039566 /nfs/dbraw/zinc/03/95/66/177039566.db2.gz AFUGTYOGSFYNAH-IBGZPJMESA-N 2 1 295.430 2.833 10 0 CFAEMP CC1(C)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000076697554 177060937 /nfs/dbraw/zinc/06/09/37/177060937.db2.gz IIYDMQNCWMPTCT-HZPDHXFCSA-N 2 1 258.409 2.897 10 0 CFAEMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000334624562 277086475 /nfs/dbraw/zinc/08/64/75/277086475.db2.gz JEQOSKLKNWUAQJ-KGLIPLIRSA-N 2 1 272.383 2.840 10 0 CFAEMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000334624562 277086477 /nfs/dbraw/zinc/08/64/77/277086477.db2.gz JEQOSKLKNWUAQJ-KGLIPLIRSA-N 2 1 272.383 2.840 10 0 CFAEMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000334624562 277086478 /nfs/dbraw/zinc/08/64/78/277086478.db2.gz JEQOSKLKNWUAQJ-KGLIPLIRSA-N 2 1 272.383 2.840 10 0 CFAEMP C[C@@H]1CCC[C@@](C[NH2+]CC2CCOCC2)([NH+](C)C)C1 ZINC000052172302 278504752 /nfs/dbraw/zinc/50/47/52/278504752.db2.gz NQZMYPXBMFHVIM-GDBMZVCRSA-N 2 1 268.445 2.513 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460675 281072521 /nfs/dbraw/zinc/07/25/21/281072521.db2.gz YVZMIHPVCSDYSD-GVDBMIGSSA-N 2 1 283.504 2.863 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261572626 290214746 /nfs/dbraw/zinc/21/47/46/290214746.db2.gz AIQUTPGJROGMDF-FBKDDSFISA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261572626 290214748 /nfs/dbraw/zinc/21/47/48/290214748.db2.gz AIQUTPGJROGMDF-FBKDDSFISA-N 2 1 266.335 2.695 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180799 519719726 /nfs/dbraw/zinc/71/97/26/519719726.db2.gz UXQOJTGCKMKEKD-HNNXBMFYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380707 519743779 /nfs/dbraw/zinc/74/37/79/519743779.db2.gz ILPOSYZZNNPLLG-SOUVJXGZSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@H](C)CCC)CCOCC1 ZINC000052181879 519909566 /nfs/dbraw/zinc/90/95/66/519909566.db2.gz VSLBCFQJURWCDG-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CCC)C2CC2)CCOCC1 ZINC000052181422 519910310 /nfs/dbraw/zinc/91/03/10/519910310.db2.gz UABIQYNWJQSSPO-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCC)C(C)C)O1 ZINC000052450568 519937755 /nfs/dbraw/zinc/93/77/55/519937755.db2.gz AQZMWTMDOPDMBF-HUUCEWRRSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)CC(C)C)on1 ZINC000052571900 519987653 /nfs/dbraw/zinc/98/76/53/519987653.db2.gz IPPDTGQEQHEJLU-LBPRGKRZSA-N 2 1 253.390 2.651 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+](CCN(C)C)CC(C)C)c(C)o1 ZINC000052503405 519988012 /nfs/dbraw/zinc/98/80/12/519988012.db2.gz MLYLIQWHBTWCID-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](CCN(C)C)CC(C)C)c(C)o1 ZINC000052503405 519988017 /nfs/dbraw/zinc/98/80/17/519988017.db2.gz MLYLIQWHBTWCID-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CCCCC[N@@H+](C[C@@H]1CC[C@H](C[NH2+]C)O1)C(C)C ZINC000052544850 520174986 /nfs/dbraw/zinc/17/49/86/520174986.db2.gz SEHZYFSSAKANOT-CABCVRRESA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[N@@H+](C)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052444503 521483663 /nfs/dbraw/zinc/48/36/63/521483663.db2.gz MZHFQBVXSFAVAI-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H](C)c2cccs2)CCOCC1 ZINC000052182442 521968997 /nfs/dbraw/zinc/96/89/97/521968997.db2.gz SZDAHAIEPNJNDH-ZDUSSCGKSA-N 2 1 282.453 2.757 10 0 CFAEMP CCc1[nH+]c2cc(N)ccc2n1CC(C)(C)[NH+](C)C ZINC000052855376 522488042 /nfs/dbraw/zinc/48/80/42/522488042.db2.gz WORXXMMBBJESBA-UHFFFAOYSA-N 2 1 260.385 2.521 10 0 CFAEMP CC(C)C[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052182775 519714754 /nfs/dbraw/zinc/71/47/54/519714754.db2.gz LXRIBBRXMOSIAV-UHFFFAOYSA-N 2 1 282.472 2.902 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)Cc1ccoc1C[NH2+]C(C)C ZINC000052503332 519717055 /nfs/dbraw/zinc/71/70/55/519717055.db2.gz AKCHRBLROOMMKK-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)Cc1ccoc1C[NH2+]C(C)C ZINC000052503332 519717056 /nfs/dbraw/zinc/71/70/56/519717056.db2.gz AKCHRBLROOMMKK-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346139 519724470 /nfs/dbraw/zinc/72/44/70/519724470.db2.gz HYKAEQNSWAGWND-ZDUSSCGKSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@@H](C)C1 ZINC000052484464 519728102 /nfs/dbraw/zinc/72/81/02/519728102.db2.gz FLUFDNQCRPBEAJ-OAHLLOKOSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507543 519743677 /nfs/dbraw/zinc/74/36/77/519743677.db2.gz LCIIOURGFUYDFV-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000085631004 519816215 /nfs/dbraw/zinc/81/62/15/519816215.db2.gz IKSNZHDEUPJODC-VGWMRTNUSA-N 2 1 280.456 2.510 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180794 519911058 /nfs/dbraw/zinc/91/10/58/519911058.db2.gz UDSMTIOBVKMSDG-HNNXBMFYSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@@H](C)CC ZINC000052547401 519911883 /nfs/dbraw/zinc/91/18/83/519911883.db2.gz RNHVWCRIDFCWTD-HNNXBMFYSA-N 2 1 258.450 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197660 519911911 /nfs/dbraw/zinc/91/19/11/519911911.db2.gz ZIMZSKJPUDOISM-HNNXBMFYSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+]C[C@@H](CC)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416942 519921300 /nfs/dbraw/zinc/92/13/00/519921300.db2.gz XZQDUQRHPYQNEZ-QZTJIDSGSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419168 519926799 /nfs/dbraw/zinc/92/67/99/519926799.db2.gz KIHUDLWGDSMGJP-ZWKOTPCHSA-N 2 1 288.435 2.592 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420856 519938309 /nfs/dbraw/zinc/93/83/09/519938309.db2.gz RHOLBUAXNHWQNS-QXSJWSMHSA-N 2 1 268.445 2.512 10 0 CFAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069239937 519940679 /nfs/dbraw/zinc/94/06/79/519940679.db2.gz KLPBPRRFPIMEEP-INIZCTEOSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000052481875 519947681 /nfs/dbraw/zinc/94/76/81/519947681.db2.gz QCXOWMRQZNDOQO-UHFFFAOYSA-N 2 1 276.424 2.797 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)CC(C)C)cc1 ZINC000052452673 520000043 /nfs/dbraw/zinc/00/00/43/520000043.db2.gz NKLBQAJKRXBNQW-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000052420414 520020889 /nfs/dbraw/zinc/02/08/89/520020889.db2.gz BTAFSDSULFFCGB-TXEJJXNPSA-N 2 1 267.442 2.731 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000052420414 520020898 /nfs/dbraw/zinc/02/08/98/520020898.db2.gz BTAFSDSULFFCGB-TXEJJXNPSA-N 2 1 267.442 2.731 10 0 CFAEMP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086820 520021717 /nfs/dbraw/zinc/02/17/17/520021717.db2.gz UNVRGTGVEOQSCR-BHYGNILZSA-N 2 1 288.435 2.700 10 0 CFAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086820 520021722 /nfs/dbraw/zinc/02/17/22/520021722.db2.gz UNVRGTGVEOQSCR-BHYGNILZSA-N 2 1 288.435 2.700 10 0 CFAEMP CCCCC[N@@H+](C)Cc1cc(C[NH2+]CCC)no1 ZINC000052454757 520152245 /nfs/dbraw/zinc/15/22/45/520152245.db2.gz MCSYKLFLORIODD-UHFFFAOYSA-N 2 1 253.390 2.796 10 0 CFAEMP CCCC[N@@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180926 520397972 /nfs/dbraw/zinc/39/79/72/520397972.db2.gz IRAGFLFKXCDFDK-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CC[NH+](CC)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000061815787 520735176 /nfs/dbraw/zinc/73/51/76/520735176.db2.gz AASVVYHSSCKNOO-HNNXBMFYSA-N 2 1 264.413 2.775 10 0 CFAEMP CC[N@@H+](Cc1csc(C[NH3+])n1)C1CCCCC1 ZINC000052420087 521443699 /nfs/dbraw/zinc/44/36/99/521443699.db2.gz FSVNTKCWGIWKAS-UHFFFAOYSA-N 2 1 253.415 2.756 10 0 CFAEMP CC[N@@H+](Cc1occc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052504765 521471069 /nfs/dbraw/zinc/47/10/69/521471069.db2.gz LISQELUWSZXILS-CYBMUJFWSA-N 2 1 268.401 2.634 10 0 CFAEMP CCC[N@@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182663 521624745 /nfs/dbraw/zinc/62/47/45/521624745.db2.gz MMIZBRPREYQWTB-UHFFFAOYSA-N 2 1 280.456 2.657 10 0 CFAEMP C[NH2+]CC1(C[N@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052197932 521969322 /nfs/dbraw/zinc/96/93/22/521969322.db2.gz OAXMELMNAZALDK-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052197932 521969334 /nfs/dbraw/zinc/96/93/34/521969334.db2.gz OAXMELMNAZALDK-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372937 522000763 /nfs/dbraw/zinc/00/07/63/522000763.db2.gz DYXCBZMIHACVEV-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP C[NH2+]C[C@@H](C)C[N@H+](C)Cc1cc(Br)cs1 ZINC000052516947 522029630 /nfs/dbraw/zinc/02/96/30/522029630.db2.gz IXNFIJSUSJMRFL-SECBINFHSA-N 2 1 291.258 2.798 10 0 CFAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000052516947 522029633 /nfs/dbraw/zinc/02/96/33/522029633.db2.gz IXNFIJSUSJMRFL-SECBINFHSA-N 2 1 291.258 2.798 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424611 522139205 /nfs/dbraw/zinc/13/92/05/522139205.db2.gz PUXIUYMRVQFEKU-UHFFFAOYSA-N 2 1 258.365 2.939 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCc2sccc2C1 ZINC000052382942 522144056 /nfs/dbraw/zinc/14/40/56/522144056.db2.gz WIKSHOONIWJETF-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1ccoc1C[N@@H+]1CCc2sccc2C1 ZINC000052382942 522144051 /nfs/dbraw/zinc/14/40/51/522144051.db2.gz WIKSHOONIWJETF-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1oc(C[N@@H+]2CCc3sccc3C2)cc1C ZINC000052416646 522160067 /nfs/dbraw/zinc/16/00/67/522160067.db2.gz LTJFACKWQSRZEU-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP C[NH2+]Cc1oc(C[N@H+]2CCc3sccc3C2)cc1C ZINC000052416646 522160077 /nfs/dbraw/zinc/16/00/77/522160077.db2.gz LTJFACKWQSRZEU-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP CC[C@@H]([NH2+]C)c1ccccc1OCCn1cc[nH+]c1C ZINC000049329453 522805231 /nfs/dbraw/zinc/80/52/31/522805231.db2.gz KIQXHDKXVFAEHT-OAHLLOKOSA-N 2 1 273.380 2.941 10 0 CFAEMP COCc1cccc(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000052205685 523052352 /nfs/dbraw/zinc/05/23/52/523052352.db2.gz QIDGEOMOOZKDQR-KRWDZBQOSA-N 2 1 276.424 2.797 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)s1)Cc1cccnc1C[NH3+] ZINC000061656711 523236510 /nfs/dbraw/zinc/23/65/10/523236510.db2.gz OIGWXXYYEPQACT-UHFFFAOYSA-N 2 1 281.812 2.887 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)s1)Cc1cccnc1C[NH3+] ZINC000061656711 523236516 /nfs/dbraw/zinc/23/65/16/523236516.db2.gz OIGWXXYYEPQACT-UHFFFAOYSA-N 2 1 281.812 2.887 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052375138 523266207 /nfs/dbraw/zinc/26/62/07/523266207.db2.gz AZTYZXATBGLIRP-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[C@H]1C[N@H+](Cc2c3ccccc3oc2C[NH2+]C)CCO1 ZINC000052477084 523286106 /nfs/dbraw/zinc/28/61/06/523286106.db2.gz VVAWULMVBPTKAX-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[C@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH2+]C)CCO1 ZINC000052477084 523286115 /nfs/dbraw/zinc/28/61/15/523286115.db2.gz VVAWULMVBPTKAX-ZDUSSCGKSA-N 2 1 288.391 2.763 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1C ZINC000062079364 523658955 /nfs/dbraw/zinc/65/89/55/523658955.db2.gz VGSXUFKIIGPLNC-UONOGXRCSA-N 2 1 292.471 2.902 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546769 524132602 /nfs/dbraw/zinc/13/26/02/524132602.db2.gz IBNJAZRYTLXJIX-PWSUYJOCSA-N 2 1 253.415 2.612 10 0 CFAEMP C[C@@H]1CCC[C@](CNCC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205805 524430460 /nfs/dbraw/zinc/43/04/60/524430460.db2.gz AWDWVTMSBAZWDL-SQNIBIBYSA-N 2 1 295.515 2.961 10 0 CFAEMP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053011715 524453206 /nfs/dbraw/zinc/45/32/06/524453206.db2.gz ZZZJVQKYLZPRID-AWEZNQCLSA-N 2 1 262.397 2.515 10 0 CFAEMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053011715 524453213 /nfs/dbraw/zinc/45/32/13/524453213.db2.gz ZZZJVQKYLZPRID-AWEZNQCLSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@@H]1CC[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182196 524503541 /nfs/dbraw/zinc/50/35/41/524503541.db2.gz VSILNEAGAMXRTG-CQSZACIVSA-N 2 1 268.445 2.513 10 0 CFAEMP C[C@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052382545 524607643 /nfs/dbraw/zinc/60/76/43/524607643.db2.gz WRNWFNAUXJOKNQ-NSHDSACASA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052382545 524607654 /nfs/dbraw/zinc/60/76/54/524607654.db2.gz WRNWFNAUXJOKNQ-NSHDSACASA-N 2 1 276.405 2.581 10 0 CFAEMP Cc1cc(C[N@H+]2CCc3ccccc3C2)oc1C[NH3+] ZINC000052419123 524708650 /nfs/dbraw/zinc/70/86/50/524708650.db2.gz AKUDGFUDGHDJGP-UHFFFAOYSA-N 2 1 256.349 2.605 10 0 CFAEMP C[C@H]([N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1)C(C)(C)C ZINC000052182309 524813959 /nfs/dbraw/zinc/81/39/59/524813959.db2.gz WKFURBIMMDSIMK-AWEZNQCLSA-N 2 1 282.472 2.902 10 0 CFAEMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262038276 525244972 /nfs/dbraw/zinc/24/49/72/525244972.db2.gz OWJSDJGARILIFY-FMKPAKJESA-N 2 1 294.464 2.636 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc(C[NH3+])c1 ZINC000050563645 525638371 /nfs/dbraw/zinc/63/83/71/525638371.db2.gz OGVSHIPYKTUQFG-UONOGXRCSA-N 2 1 262.397 2.645 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000151313787 525728432 /nfs/dbraw/zinc/72/84/32/525728432.db2.gz SNUYLYJWZRHEJF-IAGOWNOFSA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@](C)([NH3+])C2CC2)s1 ZINC000049538827 526746603 /nfs/dbraw/zinc/74/66/03/526746603.db2.gz NTIYMKCGLKLAGW-OQPBUACISA-N 2 1 253.415 2.538 10 0 CFAEMP Cc1oc(C[NH+]2CCSCC2)cc1C[NH2+]CC(C)C ZINC000052425544 526770586 /nfs/dbraw/zinc/77/05/86/526770586.db2.gz KKOQWBCZORXTPQ-UHFFFAOYSA-N 2 1 282.453 2.882 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+]1CCc2ccccc2C1 ZINC000052419124 526770783 /nfs/dbraw/zinc/77/07/83/526770783.db2.gz JERWMYCGQRINCQ-UHFFFAOYSA-N 2 1 256.349 2.605 10 0 CFAEMP Cc1[nH+]cn(Cc2ccccc2C[NH2+]C2CC2)c1C ZINC000052593758 527462867 /nfs/dbraw/zinc/46/28/67/527462867.db2.gz AWYVUGPEMZJHJB-UHFFFAOYSA-N 2 1 255.365 2.800 10 0 CFAEMP CC(C)[C@@H]1C[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)OC1 ZINC000757154180 617843670 /nfs/dbraw/zinc/84/36/70/617843670.db2.gz ZHQCJQNOMJLVNG-GFCCVEGCSA-N 2 1 254.418 2.515 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261721446 618375269 /nfs/dbraw/zinc/37/52/69/618375269.db2.gz QFHBZQKOLMVNOB-IAOVAPTHSA-N 2 1 281.403 2.712 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc4ccccc34)C[C@@H]12 ZINC000261576898 619172258 /nfs/dbraw/zinc/17/22/58/619172258.db2.gz CJZDMZRBWMBEBS-NILFDRSVSA-N 2 1 256.349 2.602 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccsc3Cl)C[C@H]12 ZINC000261809418 619279701 /nfs/dbraw/zinc/27/97/01/619279701.db2.gz HOIKUEPLZJAUSN-DVVUODLYSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccsc3Cl)C[C@H]12 ZINC000261809418 619279702 /nfs/dbraw/zinc/27/97/02/619279702.db2.gz HOIKUEPLZJAUSN-DVVUODLYSA-N 2 1 256.802 2.571 10 0 CFAEMP C[N@H+](Cc1scnc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000262000922 619363675 /nfs/dbraw/zinc/36/36/75/619363675.db2.gz UCHREZNLDJURJI-LBPRGKRZSA-N 2 1 265.426 2.594 10 0 CFAEMP C[N@@H+](Cc1scnc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000262000922 619363677 /nfs/dbraw/zinc/36/36/77/619363677.db2.gz UCHREZNLDJURJI-LBPRGKRZSA-N 2 1 265.426 2.594 10 0 CFAEMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231457996 620419503 /nfs/dbraw/zinc/41/95/03/620419503.db2.gz SJFLQAFXTUPQHA-AWEZNQCLSA-N 2 1 250.361 2.708 10 0 CFAEMP C/C(=C/c1ccco1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000229401307 623201908 /nfs/dbraw/zinc/20/19/08/623201908.db2.gz BXOYCRAQIMQUTH-DNXIFWLFSA-N 2 1 260.381 2.758 10 0 CFAEMP C/C(=C/c1ccco1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000229401307 623201911 /nfs/dbraw/zinc/20/19/11/623201911.db2.gz BXOYCRAQIMQUTH-DNXIFWLFSA-N 2 1 260.381 2.758 10 0 CFAEMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000133588302 646166254 /nfs/dbraw/zinc/16/62/54/646166254.db2.gz UQUSYSMHSSCUNX-GOSISDBHSA-N 2 1 289.467 2.760 10 0 CFAEMP CC[N@@H+](CCCCC[NH3+])Cc1ccccc1OC ZINC000034478258 346317687 /nfs/dbraw/zinc/31/76/87/346317687.db2.gz LKDABYLCDZPPSP-UHFFFAOYSA-N 2 1 250.386 2.646 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000118850016 347798626 /nfs/dbraw/zinc/79/86/26/347798626.db2.gz KAXQIIGCHQPXCF-QZTJIDSGSA-N 2 1 266.388 2.861 10 0 CFAEMP CC[N@@H+]1CCO[C@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000134479969 347897964 /nfs/dbraw/zinc/89/79/64/347897964.db2.gz UAXLMDDOZVVGHL-CQSZACIVSA-N 2 1 285.391 2.676 10 0 CFAEMP CC[N@H+]1CCO[C@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000134479969 347897968 /nfs/dbraw/zinc/89/79/68/347897968.db2.gz UAXLMDDOZVVGHL-CQSZACIVSA-N 2 1 285.391 2.676 10 0 CFAEMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818621 179347473 /nfs/dbraw/zinc/34/74/73/179347473.db2.gz CVKJTHOGLARRJZ-QGZVFWFLSA-N 2 1 276.424 2.797 10 0 CFAEMP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818854 179347912 /nfs/dbraw/zinc/34/79/12/179347912.db2.gz PVHSENGPMZWTFL-JKSUJKDBSA-N 2 1 276.424 2.836 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000086818865 179348337 /nfs/dbraw/zinc/34/83/37/179348337.db2.gz ZFTZNZKDJUYNJV-ZDUSSCGKSA-N 2 1 264.438 2.811 10 0 CFAEMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818909 179348704 /nfs/dbraw/zinc/34/87/04/179348704.db2.gz QHBPARPAIRMUGX-GXTWGEPZSA-N 2 1 252.427 2.753 10 0 CFAEMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817406 179344642 /nfs/dbraw/zinc/34/46/42/179344642.db2.gz MWLCTOBQSLGYKP-CZUORRHYSA-N 2 1 289.423 2.780 10 0 CFAEMP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817222 179344934 /nfs/dbraw/zinc/34/49/34/179344934.db2.gz KBLLZMCCJXEKGR-KGLIPLIRSA-N 2 1 262.397 2.830 10 0 CFAEMP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817222 179344935 /nfs/dbraw/zinc/34/49/35/179344935.db2.gz KBLLZMCCJXEKGR-KGLIPLIRSA-N 2 1 262.397 2.830 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000086817240 179345260 /nfs/dbraw/zinc/34/52/60/179345260.db2.gz LRWUAQVOFALFPT-OAHLLOKOSA-N 2 1 266.816 2.956 10 0 CFAEMP CCC(CC)N(C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086847159 179356139 /nfs/dbraw/zinc/35/61/39/179356139.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(CC)[N@H+](C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086847159 179356140 /nfs/dbraw/zinc/35/61/40/179356140.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(CC)[N@@H+](C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086847159 179356141 /nfs/dbraw/zinc/35/61/41/179356141.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(CC)[NH+](C)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086847159 179356144 /nfs/dbraw/zinc/35/61/44/179356144.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC(CC)[NH+](C)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086847159 179356146 /nfs/dbraw/zinc/35/61/46/179356146.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848740 179356375 /nfs/dbraw/zinc/35/63/75/179356375.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848740 179356376 /nfs/dbraw/zinc/35/63/76/179356376.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848740 179356378 /nfs/dbraw/zinc/35/63/78/179356378.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848740 179356379 /nfs/dbraw/zinc/35/63/79/179356379.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848740 179356380 /nfs/dbraw/zinc/35/63/80/179356380.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840430 179352550 /nfs/dbraw/zinc/35/25/50/179352550.db2.gz BAJDKKYVMWSVLA-DZGCQCFKSA-N 2 1 262.397 2.917 10 0 CFAEMP CCC[N@H+]1CCC[C@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868552 179360474 /nfs/dbraw/zinc/36/04/74/179360474.db2.gz WQAUMWYZYIXJLE-KRWDZBQOSA-N 2 1 298.471 2.916 10 0 CFAEMP C[C@@H]1C[C@@]2(C[N@H+]1Cc1ccccc1)CC[NH2+]C[C@H]2C ZINC000306493114 348388114 /nfs/dbraw/zinc/38/81/14/348388114.db2.gz YRPTZCWYPIRPQQ-BFYDXBDKSA-N 2 1 258.409 2.897 10 0 CFAEMP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328636141 348441717 /nfs/dbraw/zinc/44/17/17/348441717.db2.gz NWPSZGJTAJDDAV-HNNXBMFYSA-N 2 1 297.402 2.512 10 0 CFAEMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328636141 348441720 /nfs/dbraw/zinc/44/17/20/348441720.db2.gz NWPSZGJTAJDDAV-HNNXBMFYSA-N 2 1 297.402 2.512 10 0 CFAEMP C[N@@H+](Cc1ccncc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328651501 348441805 /nfs/dbraw/zinc/44/18/05/348441805.db2.gz VYMVKUQTHTUNJP-LBPRGKRZSA-N 2 1 290.798 2.626 10 0 CFAEMP C[N@H+](Cc1ccncc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328651501 348441808 /nfs/dbraw/zinc/44/18/08/348441808.db2.gz VYMVKUQTHTUNJP-LBPRGKRZSA-N 2 1 290.798 2.626 10 0 CFAEMP CC(C)CC[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000107801503 186191802 /nfs/dbraw/zinc/19/18/02/186191802.db2.gz BUDYTFVXLYPYJQ-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP NCC[N@@H+]1CCC[C@H](c2ccc3ccccc3n2)CC1 ZINC000616627187 352389859 /nfs/dbraw/zinc/38/98/59/352389859.db2.gz FUVJYUCKITVLGF-HNNXBMFYSA-N 2 1 269.392 2.763 10 0 CFAEMP NCC[N@H+]1CCC[C@H](c2ccc3ccccc3n2)CC1 ZINC000616627187 352389861 /nfs/dbraw/zinc/38/98/61/352389861.db2.gz FUVJYUCKITVLGF-HNNXBMFYSA-N 2 1 269.392 2.763 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840086 355602757 /nfs/dbraw/zinc/60/27/57/355602757.db2.gz PJLOYBFHNOSFDY-AAEUAGOBSA-N 2 1 289.810 2.915 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000380755290 540691116 /nfs/dbraw/zinc/69/11/16/540691116.db2.gz WMXMLYXGTFLFFP-YOEHRIQHSA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000380755290 540691119 /nfs/dbraw/zinc/69/11/19/540691119.db2.gz WMXMLYXGTFLFFP-YOEHRIQHSA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000380755287 540691452 /nfs/dbraw/zinc/69/14/52/540691452.db2.gz WMXMLYXGTFLFFP-PBHICJAKSA-N 2 1 278.440 2.601 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000380755287 540691455 /nfs/dbraw/zinc/69/14/55/540691455.db2.gz WMXMLYXGTFLFFP-PBHICJAKSA-N 2 1 278.440 2.601 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000178321075 189107077 /nfs/dbraw/zinc/10/70/77/189107077.db2.gz LVWKJKHKIIQKGK-MRXNPFEDSA-N 2 1 285.391 2.735 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000178321075 189107078 /nfs/dbraw/zinc/10/70/78/189107078.db2.gz LVWKJKHKIIQKGK-MRXNPFEDSA-N 2 1 285.391 2.735 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738187 541029407 /nfs/dbraw/zinc/02/94/07/541029407.db2.gz ZXCQKXJVYPNAMJ-NILFDRSVSA-N 2 1 280.412 2.587 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1cccc(Br)c1 ZINC000011848606 371931937 /nfs/dbraw/zinc/93/19/37/371931937.db2.gz AZRILRMQVPNCBT-LBPRGKRZSA-N 2 1 280.169 2.654 10 0 CFAEMP c1ccc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CC2CC2)C3)cc1 ZINC000026572855 372325544 /nfs/dbraw/zinc/32/55/44/372325544.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 2 1 270.420 2.850 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CC4)C3)C2)cc1 ZINC000026572855 372325548 /nfs/dbraw/zinc/32/55/48/372325548.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 2 1 270.420 2.850 10 0 CFAEMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CC4)C3)C2)cc1 ZINC000026572855 372325555 /nfs/dbraw/zinc/32/55/55/372325555.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 2 1 270.420 2.850 10 0 CFAEMP CCn1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000092813090 375160310 /nfs/dbraw/zinc/16/03/10/375160310.db2.gz ABWWDJOWRKVVPD-HNNXBMFYSA-N 2 1 299.422 2.540 10 0 CFAEMP CCn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000092813090 375160317 /nfs/dbraw/zinc/16/03/17/375160317.db2.gz ABWWDJOWRKVVPD-HNNXBMFYSA-N 2 1 299.422 2.540 10 0 CFAEMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000111824581 375871894 /nfs/dbraw/zinc/87/18/94/375871894.db2.gz ANVXPDGJQJSJCI-AWEZNQCLSA-N 2 1 252.789 2.914 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC2CCCC2)CC1 ZINC000120486026 376624626 /nfs/dbraw/zinc/62/46/26/376624626.db2.gz XUVLNCMNPBCPOI-MRXNPFEDSA-N 2 1 296.499 2.981 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130408664 377551118 /nfs/dbraw/zinc/55/11/18/377551118.db2.gz IUVKYDPKITVORW-HNNXBMFYSA-N 2 1 270.380 2.678 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]1 ZINC000130754511 377604794 /nfs/dbraw/zinc/60/47/94/377604794.db2.gz YAANIWKGMSQIJQ-MRXNPFEDSA-N 2 1 282.391 2.719 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]1 ZINC000130754511 377604803 /nfs/dbraw/zinc/60/48/03/377604803.db2.gz YAANIWKGMSQIJQ-MRXNPFEDSA-N 2 1 282.391 2.719 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C/C=C/Cl)C2)[nH+]1 ZINC000151116772 378297703 /nfs/dbraw/zinc/29/77/03/378297703.db2.gz ATYXONCSKZSMAO-MXPWBENCSA-N 2 1 265.788 2.876 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C/C=C/Cl)C2)[nH+]1 ZINC000151116772 378297707 /nfs/dbraw/zinc/29/77/07/378297707.db2.gz ATYXONCSKZSMAO-MXPWBENCSA-N 2 1 265.788 2.876 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](C/C=C/Cl)C2)[nH+]1 ZINC000151116825 378297764 /nfs/dbraw/zinc/29/77/64/378297764.db2.gz ATYXONCSKZSMAO-LPZVBRGNSA-N 2 1 265.788 2.876 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C/C=C/Cl)C2)[nH+]1 ZINC000151116825 378297768 /nfs/dbraw/zinc/29/77/68/378297768.db2.gz ATYXONCSKZSMAO-LPZVBRGNSA-N 2 1 265.788 2.876 10 0 CFAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151266413 378311707 /nfs/dbraw/zinc/31/17/07/378311707.db2.gz VYMLXOCWZAOKMV-IRXDYDNUSA-N 2 1 276.424 2.574 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]1 ZINC000171827030 379413450 /nfs/dbraw/zinc/41/34/50/379413450.db2.gz LWNGCXGIFSVMNJ-INIZCTEOSA-N 2 1 289.423 2.550 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000171827030 379413463 /nfs/dbraw/zinc/41/34/63/379413463.db2.gz LWNGCXGIFSVMNJ-INIZCTEOSA-N 2 1 289.423 2.550 10 0 CFAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000174224806 379846887 /nfs/dbraw/zinc/84/68/87/379846887.db2.gz ZJEKSTABQSUTGX-AEFFLSMTSA-N 2 1 290.451 2.558 10 0 CFAEMP Cc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)sc1C ZINC000176389375 380225567 /nfs/dbraw/zinc/22/55/67/380225567.db2.gz BJBWUHWSGFCIKS-AWEZNQCLSA-N 2 1 290.436 2.929 10 0 CFAEMP Cc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)sc1C ZINC000176389375 380225574 /nfs/dbraw/zinc/22/55/74/380225574.db2.gz BJBWUHWSGFCIKS-AWEZNQCLSA-N 2 1 290.436 2.929 10 0 CFAEMP CCn1cncc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000336706838 380601549 /nfs/dbraw/zinc/60/15/49/380601549.db2.gz JEBOZLDFMBKXSY-HNNXBMFYSA-N 2 1 286.423 2.513 10 0 CFAEMP CCn1cncc1CN[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000336706838 380601555 /nfs/dbraw/zinc/60/15/55/380601555.db2.gz JEBOZLDFMBKXSY-HNNXBMFYSA-N 2 1 286.423 2.513 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000400330960 380856870 /nfs/dbraw/zinc/85/68/70/380856870.db2.gz FWBNCIIVOZLUMQ-WDEREUQCSA-N 2 1 283.213 2.537 10 0 CFAEMP C[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379659311 382508056 /nfs/dbraw/zinc/50/80/56/382508056.db2.gz ZOJNPJBXKHVXQQ-DOTOQJQBSA-N 2 1 292.467 2.894 10 0 CFAEMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381147930 382518084 /nfs/dbraw/zinc/51/80/84/382518084.db2.gz IZQFHQPDSHTUAQ-LALPHHSUSA-N 2 1 250.361 2.803 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000189550946 382623079 /nfs/dbraw/zinc/62/30/79/382623079.db2.gz MOVTYKSXSNVRPN-HWOWSKLDSA-N 2 1 268.445 2.652 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000189550946 382623081 /nfs/dbraw/zinc/62/30/81/382623081.db2.gz MOVTYKSXSNVRPN-HWOWSKLDSA-N 2 1 268.445 2.652 10 0 CFAEMP CC(C)CC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190821876 382681432 /nfs/dbraw/zinc/68/14/32/382681432.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190821876 382681434 /nfs/dbraw/zinc/68/14/34/382681434.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190821876 382681436 /nfs/dbraw/zinc/68/14/36/382681436.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190821876 382681438 /nfs/dbraw/zinc/68/14/38/382681438.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190821876 382681440 /nfs/dbraw/zinc/68/14/40/382681440.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 1 275.440 2.881 10 0 CFAEMP C[N@H+](Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000226448508 382828466 /nfs/dbraw/zinc/82/84/66/382828466.db2.gz ACAAJMOHRILTFK-NSHDSACASA-N 2 1 258.818 2.975 10 0 CFAEMP C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000226448508 382828468 /nfs/dbraw/zinc/82/84/68/382828468.db2.gz ACAAJMOHRILTFK-NSHDSACASA-N 2 1 258.818 2.975 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000261564235 383513879 /nfs/dbraw/zinc/51/38/79/383513879.db2.gz XPJIIQSQVFEVIC-MRVWCRGKSA-N 2 1 250.773 2.509 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261591944 383523740 /nfs/dbraw/zinc/52/37/40/383523740.db2.gz METXFIKGCJVFPJ-BILRFKGYSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261591944 383523742 /nfs/dbraw/zinc/52/37/42/383523742.db2.gz METXFIKGCJVFPJ-BILRFKGYSA-N 2 1 266.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]12 ZINC000261626793 383532198 /nfs/dbraw/zinc/53/21/98/383532198.db2.gz HEPGMECZZOOKPN-FVQBIDKESA-N 2 1 283.375 2.511 10 0 CFAEMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262001585 383592526 /nfs/dbraw/zinc/59/25/26/383592526.db2.gz UPZVNRGGLDIBSY-XHSDSOJGSA-N 2 1 280.456 2.704 10 0 CFAEMP C[N@@H+](CCSCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262014833 383594436 /nfs/dbraw/zinc/59/44/36/383594436.db2.gz VMPLVQQNFBNADS-MRXNPFEDSA-N 2 1 278.465 2.994 10 0 CFAEMP CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000262012510 383594705 /nfs/dbraw/zinc/59/47/05/383594705.db2.gz VGRSGPSMBZTMBG-AWEZNQCLSA-N 2 1 280.387 2.798 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262037184 383597487 /nfs/dbraw/zinc/59/74/87/383597487.db2.gz YAYPZRFQCUQKDS-BRWVUGGUSA-N 2 1 294.483 2.950 10 0 CFAEMP CC[N@H+](Cc1scnc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000262043099 383598365 /nfs/dbraw/zinc/59/83/65/383598365.db2.gz YPQUJIKFTQEWQM-ZDUSSCGKSA-N 2 1 279.453 2.985 10 0 CFAEMP CC[N@@H+](Cc1scnc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000262043099 383598370 /nfs/dbraw/zinc/59/83/70/383598370.db2.gz YPQUJIKFTQEWQM-ZDUSSCGKSA-N 2 1 279.453 2.985 10 0 CFAEMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261780304 383559441 /nfs/dbraw/zinc/55/94/41/383559441.db2.gz FJSQVCALUANNKY-XJKSGUPXSA-N 2 1 296.842 2.959 10 0 CFAEMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261780304 383559443 /nfs/dbraw/zinc/55/94/43/383559443.db2.gz FJSQVCALUANNKY-XJKSGUPXSA-N 2 1 296.842 2.959 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000261792141 383561216 /nfs/dbraw/zinc/56/12/16/383561216.db2.gz LDGIZRPSKUMBCH-CVEARBPZSA-N 2 1 272.417 2.922 10 0 CFAEMP Cc1cccc(C)c1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262174675 383610691 /nfs/dbraw/zinc/61/06/91/383610691.db2.gz VQAYRNIIQJQYDJ-MRXNPFEDSA-N 2 1 276.424 2.756 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735749 393566992 /nfs/dbraw/zinc/56/69/92/393566992.db2.gz TWZVPQVCNUQJJC-UPJWGTAASA-N 2 1 260.372 2.729 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000105862253 393864500 /nfs/dbraw/zinc/86/45/00/393864500.db2.gz YGKRNQIXJCVJIC-HOTGVXAUSA-N 2 1 290.451 2.772 10 0 CFAEMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000133575045 397603584 /nfs/dbraw/zinc/60/35/84/397603584.db2.gz OFXLUOYLUFUFLS-SFHVURJKSA-N 2 1 289.467 2.760 10 0 CFAEMP C[N@@H+](C[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241414 397636891 /nfs/dbraw/zinc/63/68/91/397636891.db2.gz DTCDPRYAIVEBNE-GJZGRUSLSA-N 2 1 274.408 2.627 10 0 CFAEMP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1O ZINC000019905844 170917424 /nfs/dbraw/zinc/91/74/24/170917424.db2.gz LKYRBFWHBWIHAQ-GFCCVEGCSA-N 2 1 280.412 2.639 10 0 CFAEMP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128567 171015599 /nfs/dbraw/zinc/01/55/99/171015599.db2.gz UNCRGKGDJOLCNX-UHFFFAOYSA-N 3 1 289.467 2.711 10 0 CFAEMP C[N@@H+](CCC[NH2+]C[C@@H]1CCCCO1)Cc1ccccc1 ZINC000035151474 172014726 /nfs/dbraw/zinc/01/47/26/172014726.db2.gz AYJYDSUCQUIXHX-KRWDZBQOSA-N 2 1 276.424 2.667 10 0 CFAEMP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210072 173031503 /nfs/dbraw/zinc/03/15/03/173031503.db2.gz CGTFUMMFLJYLMM-QWHCGFSZSA-N 2 1 252.427 2.611 10 0 CFAEMP CC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037538102 173257962 /nfs/dbraw/zinc/25/79/62/173257962.db2.gz VISGFNLJLMQKDW-UHFFFAOYSA-N 2 1 252.789 2.914 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096063 174110567 /nfs/dbraw/zinc/11/05/67/174110567.db2.gz SUMRFZLHMVMBGG-PMPSAXMXSA-N 2 1 268.445 2.656 10 0 CFAEMP C[C@@H]([NH3+])c1ccc(OCC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC000040240633 174213789 /nfs/dbraw/zinc/21/37/89/174213789.db2.gz SALGTTZNSQFCRT-DGCLKSJQSA-N 2 1 266.360 2.709 10 0 CFAEMP COC(C)(C)C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767545 174398187 /nfs/dbraw/zinc/39/81/87/174398187.db2.gz BBSDDRWBRLKUMA-CQSZACIVSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH+]1CCC(N(C)c2ccc(N)c3c[nH+]ccc32)CC1 ZINC000042614904 174827711 /nfs/dbraw/zinc/82/77/11/174827711.db2.gz TYCOPGKXTCVOAM-UHFFFAOYSA-N 2 1 284.407 2.738 10 0 CFAEMP CCCC[C@@H](CC)C[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000043454538 175049965 /nfs/dbraw/zinc/04/99/65/175049965.db2.gz WQWBQYYSMHBEAS-DLBZAZTESA-N 2 1 283.504 2.805 10 0 CFAEMP C[N@H+](Cc1ccc(O)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043489677 175057134 /nfs/dbraw/zinc/05/71/34/175057134.db2.gz QRQVZEXBKCSHQL-FUNVUKJBSA-N 2 1 280.799 2.760 10 0 CFAEMP C[N@@H+](Cc1ccc(O)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043489677 175057136 /nfs/dbraw/zinc/05/71/36/175057136.db2.gz QRQVZEXBKCSHQL-FUNVUKJBSA-N 2 1 280.799 2.760 10 0 CFAEMP COc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000043499052 175057977 /nfs/dbraw/zinc/05/79/77/175057977.db2.gz GRQYPIOHXAAJOG-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP COc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000043499052 175057978 /nfs/dbraw/zinc/05/79/78/175057978.db2.gz GRQYPIOHXAAJOG-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP COCC[N@@H+](CCC[C@@H]1CCC[NH2+]C1)[C@@H](C)C1CC1 ZINC000043592080 175074353 /nfs/dbraw/zinc/07/43/53/175074353.db2.gz QWFPCLDBOGHBHM-GJZGRUSLSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884224 175116369 /nfs/dbraw/zinc/11/63/69/175116369.db2.gz JVPJQSQXGLITOD-HZPDHXFCSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884224 175116370 /nfs/dbraw/zinc/11/63/70/175116370.db2.gz JVPJQSQXGLITOD-HZPDHXFCSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895737 175119249 /nfs/dbraw/zinc/11/92/49/175119249.db2.gz UUJRMYHILFZGKA-ARFHVFGLSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966846 175127859 /nfs/dbraw/zinc/12/78/59/175127859.db2.gz NVLXEGAGQDICSA-JYJNAYRXSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966846 175127860 /nfs/dbraw/zinc/12/78/60/175127860.db2.gz NVLXEGAGQDICSA-JYJNAYRXSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)CC(C)C ZINC000043970293 175131517 /nfs/dbraw/zinc/13/15/17/175131517.db2.gz IYHFQMGJUNLXIC-HUUCEWRRSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970809 175131794 /nfs/dbraw/zinc/13/17/94/175131794.db2.gz HPEFZYYGQPTYQN-DLBZAZTESA-N 3 1 281.488 2.571 10 0 CFAEMP CC[NH2+][C@@H](C[N@H+](CCOC)[C@@H](C)CC)C(C)(C)C ZINC000043973296 175132377 /nfs/dbraw/zinc/13/23/77/175132377.db2.gz RGXOMHNYXNBMBD-KBPBESRZSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[NH2+][C@@H](C[N@@H+](CCOC)[C@@H](C)CC)C(C)(C)C ZINC000043973296 175132379 /nfs/dbraw/zinc/13/23/79/175132379.db2.gz RGXOMHNYXNBMBD-KBPBESRZSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[NH2+][C@H](C[N@@H+]1CCC[C@H](OCC)C1)C(C)(C)C ZINC000043971559 175132527 /nfs/dbraw/zinc/13/25/27/175132527.db2.gz GIGDCZBKXBGRFI-UONOGXRCSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H](C[N@H+]1CCC[C@H](OCC)C1)C(C)(C)C ZINC000043971559 175132529 /nfs/dbraw/zinc/13/25/29/175132529.db2.gz GIGDCZBKXBGRFI-UONOGXRCSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972931 175132827 /nfs/dbraw/zinc/13/28/27/175132827.db2.gz PMLFCYPSFXOANV-HRCADAONSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972931 175132828 /nfs/dbraw/zinc/13/28/28/175132828.db2.gz PMLFCYPSFXOANV-HRCADAONSA-N 2 1 298.471 2.627 10 0 CFAEMP CCO[C@@H]1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)C1 ZINC000043971371 175132856 /nfs/dbraw/zinc/13/28/56/175132856.db2.gz GIAOYXRTSGHFGB-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CCO[C@@H]1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)C1 ZINC000043971371 175132857 /nfs/dbraw/zinc/13/28/57/175132857.db2.gz GIAOYXRTSGHFGB-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CC[N@@H+](Cc1cc([C@@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981221 175134093 /nfs/dbraw/zinc/13/40/93/175134093.db2.gz WLMQCYWYYIEWMB-UONOGXRCSA-N 2 1 294.439 2.832 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000043994234 175136421 /nfs/dbraw/zinc/13/64/21/175136421.db2.gz KAIOKDHLZBQPSH-OAHLLOKOSA-N 2 1 259.353 2.551 10 0 CFAEMP CCC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc2c(c1)OCO2 ZINC000043994001 175136685 /nfs/dbraw/zinc/13/66/85/175136685.db2.gz YRRRSFPRHSKSAU-CQSZACIVSA-N 2 1 287.363 2.661 10 0 CFAEMP CCC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccccc1OC ZINC000043993949 175136760 /nfs/dbraw/zinc/13/67/60/175136760.db2.gz ASQLNWYOLZJSBV-OAHLLOKOSA-N 2 1 273.380 2.941 10 0 CFAEMP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1CC ZINC000044036181 175139843 /nfs/dbraw/zinc/13/98/43/175139843.db2.gz YIPWCZZIRMCRKJ-CZUORRHYSA-N 2 1 271.364 2.730 10 0 CFAEMP CC[NH2+][C@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1CC ZINC000044036174 175139999 /nfs/dbraw/zinc/13/99/99/175139999.db2.gz YIPWCZZIRMCRKJ-CJNGLKHVSA-N 2 1 271.364 2.730 10 0 CFAEMP CCc1ccc([C@@H](O)[C@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000044133129 175145628 /nfs/dbraw/zinc/14/56/28/175145628.db2.gz FUODVRHASRDOPW-KSSFIOAISA-N 2 1 290.451 2.697 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2cc(C)ccc2C)CC1 ZINC000044172612 175149260 /nfs/dbraw/zinc/14/92/60/175149260.db2.gz RZMWYBNPLGMUIV-SFHVURJKSA-N 2 1 290.451 2.753 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cc(C)ccc2C)CC1 ZINC000044172612 175149262 /nfs/dbraw/zinc/14/92/62/175149262.db2.gz RZMWYBNPLGMUIV-SFHVURJKSA-N 2 1 290.451 2.753 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000044530288 175195267 /nfs/dbraw/zinc/19/52/67/175195267.db2.gz OQAUGUANQYLQTM-GFCCVEGCSA-N 2 1 268.401 2.589 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000044530288 175195269 /nfs/dbraw/zinc/19/52/69/175195269.db2.gz OQAUGUANQYLQTM-GFCCVEGCSA-N 2 1 268.401 2.589 10 0 CFAEMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532878 175195766 /nfs/dbraw/zinc/19/57/66/175195766.db2.gz OMGFDVRIPRUVOR-GDBMZVCRSA-N 2 1 275.440 2.999 10 0 CFAEMP C[N@H+]1CCC[C@@H](Cn2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000044538232 175199648 /nfs/dbraw/zinc/19/96/48/175199648.db2.gz UZXVIHHVBBYMFC-SNVBAGLBSA-N 2 1 278.787 2.614 10 0 CFAEMP C[N@H+]1CCC[C@@H](Cn2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000044538216 175200130 /nfs/dbraw/zinc/20/01/30/175200130.db2.gz KLVRCUXDHXSAAM-SNVBAGLBSA-N 2 1 278.787 2.614 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000044747270 175242617 /nfs/dbraw/zinc/24/26/17/175242617.db2.gz HKRYZWVMGIUHNY-SFHVURJKSA-N 2 1 286.419 2.986 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747331 175243037 /nfs/dbraw/zinc/24/30/37/175243037.db2.gz FBPSHUPMWPDWEY-SCLBCKFNSA-N 2 1 286.419 2.844 10 0 CFAEMP C[N@@H+](CCOc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068384 175300425 /nfs/dbraw/zinc/30/04/25/175300425.db2.gz NJDHXTYTWFTEQQ-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379145 175368773 /nfs/dbraw/zinc/36/87/73/175368773.db2.gz PQIXPRKZUIMAPH-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379145 175368775 /nfs/dbraw/zinc/36/87/75/175368775.db2.gz PQIXPRKZUIMAPH-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045385902 175371719 /nfs/dbraw/zinc/37/17/19/175371719.db2.gz FXHIQBODJQOMNW-INIZCTEOSA-N 2 1 285.476 2.519 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385512 175371985 /nfs/dbraw/zinc/37/19/85/175371985.db2.gz AAPLFXWJBYLKFR-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385512 175371986 /nfs/dbraw/zinc/37/19/86/175371986.db2.gz AAPLFXWJBYLKFR-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384873 175372295 /nfs/dbraw/zinc/37/22/95/175372295.db2.gz GSLUWECSDLKPAT-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384873 175372297 /nfs/dbraw/zinc/37/22/97/175372297.db2.gz GSLUWECSDLKPAT-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045387938 175373786 /nfs/dbraw/zinc/37/37/86/175373786.db2.gz WAMFVJXNEATHKO-OAHLLOKOSA-N 2 1 272.433 2.559 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C(CC)CC)[NH2+]C ZINC000045391426 175374869 /nfs/dbraw/zinc/37/48/69/175374869.db2.gz KGZVXEMPPPGFAY-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C(CC)CC)[NH2+]C ZINC000045391426 175374870 /nfs/dbraw/zinc/37/48/70/175374870.db2.gz KGZVXEMPPPGFAY-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CCCC1 ZINC000045390656 175374902 /nfs/dbraw/zinc/37/49/02/175374902.db2.gz SIYDMROAFIEZKV-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CCCC1 ZINC000045390656 175374903 /nfs/dbraw/zinc/37/49/03/175374903.db2.gz SIYDMROAFIEZKV-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392157 175375775 /nfs/dbraw/zinc/37/57/75/175375775.db2.gz KJNQVRHDICZMGJ-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392157 175375777 /nfs/dbraw/zinc/37/57/77/175375777.db2.gz KJNQVRHDICZMGJ-GOEBONIOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045420983 175380221 /nfs/dbraw/zinc/38/02/21/175380221.db2.gz UPEOIKURWYWJDK-XJKSGUPXSA-N 2 1 286.460 2.804 10 0 CFAEMP CC(C)([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390640685 262233961 /nfs/dbraw/zinc/23/39/61/262233961.db2.gz KTWBBIJGFIWZEY-ALOPSCKCSA-N 2 1 287.451 2.509 10 0 CFAEMP C[C@H]([NH3+])[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390686219 262240765 /nfs/dbraw/zinc/24/07/65/262240765.db2.gz YAPZCXHTYXLPFD-COSYGPSOSA-N 2 1 287.451 2.507 10 0 CFAEMP CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000227799294 270257978 /nfs/dbraw/zinc/25/79/78/270257978.db2.gz FJCGZYQKDGRQPX-ROUUACIJSA-N 2 1 290.451 2.572 10 0 CFAEMP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000227799294 270257979 /nfs/dbraw/zinc/25/79/79/270257979.db2.gz FJCGZYQKDGRQPX-ROUUACIJSA-N 2 1 290.451 2.572 10 0 CFAEMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000227799294 270257981 /nfs/dbraw/zinc/25/79/81/270257981.db2.gz FJCGZYQKDGRQPX-ROUUACIJSA-N 2 1 290.451 2.572 10 0 CFAEMP Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398336389 270321731 /nfs/dbraw/zinc/32/17/31/270321731.db2.gz KRAANITVSQSDRK-VIFPVBQESA-N 2 1 276.277 2.544 10 0 CFAEMP Clc1ccc(Cl)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398372102 270321974 /nfs/dbraw/zinc/32/19/74/270321974.db2.gz RCTWJTPAPPSOOY-SECBINFHSA-N 2 1 259.180 2.693 10 0 CFAEMP C[C@@H]1C[NH2+]CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000054374867 274376494 /nfs/dbraw/zinc/37/64/94/274376494.db2.gz MAOKGYDWOOPEGR-SNVBAGLBSA-N 2 1 261.756 2.686 10 0 CFAEMP CC1(C)CN(c2cc[nH+]c3ccsc32)CC[C@H]1[NH3+] ZINC000334996823 275851019 /nfs/dbraw/zinc/85/10/19/275851019.db2.gz VXYHSQQKXJEAMV-GFCCVEGCSA-N 2 1 261.394 2.860 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000248443316 281022094 /nfs/dbraw/zinc/02/20/94/281022094.db2.gz BBQUBXNYWVOFES-BQFCYCMXSA-N 2 1 296.499 2.837 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)[nH+]1 ZINC000189367682 281246729 /nfs/dbraw/zinc/24/67/29/281246729.db2.gz XEFPSNNMUMOWBB-CVEARBPZSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)[nH+]1 ZINC000189367682 281246734 /nfs/dbraw/zinc/24/67/34/281246734.db2.gz XEFPSNNMUMOWBB-CVEARBPZSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)[nH+]1 ZINC000195516098 281246968 /nfs/dbraw/zinc/24/69/68/281246968.db2.gz BIVRZMIAHQQNAO-CVEARBPZSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)[nH+]1 ZINC000195516098 281246969 /nfs/dbraw/zinc/24/69/69/281246969.db2.gz BIVRZMIAHQQNAO-CVEARBPZSA-N 2 1 289.423 2.693 10 0 CFAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261551928 295240434 /nfs/dbraw/zinc/24/04/34/295240434.db2.gz AOMYZDMSQMGTMT-OLZOCXBDSA-N 2 1 260.372 2.873 10 0 CFAEMP CC(C)[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)on1 ZINC000052478486 519726023 /nfs/dbraw/zinc/72/60/23/519726023.db2.gz LAIBTXCALYFNEB-LBPRGKRZSA-N 2 1 253.390 2.649 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182298 519912123 /nfs/dbraw/zinc/91/21/23/519912123.db2.gz KDKMANXEMHCJND-AWEZNQCLSA-N 2 1 270.461 2.759 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182063 519913118 /nfs/dbraw/zinc/91/31/18/519913118.db2.gz FEGLKFPGPDFSTB-GJZGRUSLSA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000052542237 519920459 /nfs/dbraw/zinc/92/04/59/519920459.db2.gz GXJSXNKRXYOWKQ-CQSZACIVSA-N 2 1 264.413 2.763 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1OC ZINC000052542237 519920462 /nfs/dbraw/zinc/92/04/62/519920462.db2.gz GXJSXNKRXYOWKQ-CQSZACIVSA-N 2 1 264.413 2.763 10 0 CFAEMP CCC[NH2+]C[C@@](C)(CCC)C[N@@H+](CC)CCOC ZINC000051254629 519929250 /nfs/dbraw/zinc/92/92/50/519929250.db2.gz XQNUKJITYFZIDQ-OAHLLOKOSA-N 2 1 258.450 2.761 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346819 519953180 /nfs/dbraw/zinc/95/31/80/519953180.db2.gz WPHHLDODCQENBA-JKSUJKDBSA-N 2 1 268.445 2.656 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453165 519959363 /nfs/dbraw/zinc/95/93/63/519959363.db2.gz VRQXBZHQLOSNFT-ZDUSSCGKSA-N 2 1 268.426 2.717 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](CC)[C@H](C)CC)cs1 ZINC000052450721 520021849 /nfs/dbraw/zinc/02/18/49/520021849.db2.gz FRLAFHKQOOUNPK-LLVKDONJSA-N 2 1 255.431 2.873 10 0 CFAEMP CCO[C@@H](C[NH3+])CC[N@@H+](Cc1ccccc1)C(C)C ZINC000062740779 520306632 /nfs/dbraw/zinc/30/66/32/520306632.db2.gz FXCYPBVTIZBEHB-MRXNPFEDSA-N 2 1 264.413 2.651 10 0 CFAEMP CCC(CC)[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181722 521543551 /nfs/dbraw/zinc/54/35/51/521543551.db2.gz PBGGFGYKXYQCIF-UHFFFAOYSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052448374 521610569 /nfs/dbraw/zinc/61/05/69/521610569.db2.gz CHRVBKJLNGFLNN-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000052373468 522108178 /nfs/dbraw/zinc/10/81/78/522108178.db2.gz CINYDHBTQAHOHC-RYUDHWBXSA-N 2 1 250.386 2.928 10 0 CFAEMP CC(C)(C)[NH2+]CC1(C[NH+]2CCSCC2)CCCC1 ZINC000051214299 518752966 /nfs/dbraw/zinc/75/29/66/518752966.db2.gz QHMGFPRRIRJVOK-UHFFFAOYSA-N 2 1 270.486 2.984 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481912 519727610 /nfs/dbraw/zinc/72/76/10/519727610.db2.gz WMBLWOZMCFRESB-UHFFFAOYSA-N 2 1 276.424 2.795 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180453 519742803 /nfs/dbraw/zinc/74/28/03/519742803.db2.gz VTKZQRCABLDOST-OAHLLOKOSA-N 2 1 268.445 2.513 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCOCC1(C)C ZINC000052546173 519743402 /nfs/dbraw/zinc/74/34/02/519743402.db2.gz WVKPSNRYQDUMEQ-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507804 519744093 /nfs/dbraw/zinc/74/40/93/519744093.db2.gz XKKGLRQHVUPHFH-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCCC1CC[NH+](CCC[C@@](C)([NH3+])C(=O)OCC)CC1 ZINC000050905763 519900897 /nfs/dbraw/zinc/90/08/97/519900897.db2.gz YNDNFTYKLIDOTP-MRXNPFEDSA-N 2 1 284.444 2.559 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)CCOC)CCCC1 ZINC000051254649 519909766 /nfs/dbraw/zinc/90/97/66/519909766.db2.gz HPIAOJTYVZSFTL-UHFFFAOYSA-N 2 1 256.434 2.515 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)Cc2ccccc2)CCOCC1 ZINC000052181156 519912578 /nfs/dbraw/zinc/91/25/78/519912578.db2.gz LQOFHCBELMAHPV-UHFFFAOYSA-N 2 1 290.451 2.915 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052510952 519913050 /nfs/dbraw/zinc/91/30/50/519913050.db2.gz RTVZABMWRKUDCE-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](OCCC)C1 ZINC000052371678 519919583 /nfs/dbraw/zinc/91/95/83/519919583.db2.gz RQCBMZJDVXMBSD-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000053011711 519922645 /nfs/dbraw/zinc/92/26/45/519922645.db2.gz FYPHFGGCQXJEMM-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000053011711 519922649 /nfs/dbraw/zinc/92/26/49/519922649.db2.gz FYPHFGGCQXJEMM-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541688 519928172 /nfs/dbraw/zinc/92/81/72/519928172.db2.gz UWOQHKSPWNUYPJ-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+](CCN(C)C)CC(C)C)oc1C ZINC000052503315 519988162 /nfs/dbraw/zinc/98/81/62/519988162.db2.gz HDFZJASOKTUMNH-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](CCN(C)C)CC(C)C)oc1C ZINC000052503315 519988168 /nfs/dbraw/zinc/98/81/68/519988168.db2.gz HDFZJASOKTUMNH-UHFFFAOYSA-N 2 1 295.471 2.717 10 0 CFAEMP CCO[C@H]1CCC[N@@H+](CC(C)(C)C[NH2+]C(C)(C)C)C1 ZINC000051285698 520524588 /nfs/dbraw/zinc/52/45/88/520524588.db2.gz IUEHCJYCZKHTEI-AWEZNQCLSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181875 520646143 /nfs/dbraw/zinc/64/61/43/520646143.db2.gz SOSBMMPUYNHZQR-CQSZACIVSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[C@@H](C)[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052480648 520646341 /nfs/dbraw/zinc/64/63/41/520646341.db2.gz JQGKMPAATVNABD-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[N@@H+](CCCC[NH2+]CCOC)C1CCCCC1 ZINC000053498858 521004330 /nfs/dbraw/zinc/00/43/30/521004330.db2.gz USHRQLBJYJOSMD-UHFFFAOYSA-N 2 1 256.434 2.657 10 0 CFAEMP CC[N@@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953415 521042753 /nfs/dbraw/zinc/04/27/53/521042753.db2.gz HZGYKZIJEJARGF-MRXNPFEDSA-N 2 1 261.413 2.826 10 0 CFAEMP CC[N@H+](Cc1cc(C[NH2+]C(C)C)no1)CC(C)C ZINC000052449670 521288538 /nfs/dbraw/zinc/28/85/38/521288538.db2.gz UQMAUBUESFFYOQ-UHFFFAOYSA-N 2 1 253.390 2.651 10 0 CFAEMP CCC(C)(C)[N@@H+](C)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069443749 521304950 /nfs/dbraw/zinc/30/49/50/521304950.db2.gz YTOIAOJGCFKLQV-INIZCTEOSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC(CC)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631026 521604344 /nfs/dbraw/zinc/60/43/44/521604344.db2.gz LEYBAZOILDZIAC-FZKCQIBNSA-N 2 1 282.472 2.756 10 0 CFAEMP CCC[N@@H+](Cc1cc(C[NH2+]C(C)C)no1)C(C)C ZINC000052450349 521680849 /nfs/dbraw/zinc/68/08/49/521680849.db2.gz BPGRJAVOPFKYSN-UHFFFAOYSA-N 2 1 253.390 2.793 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052444154 522061255 /nfs/dbraw/zinc/06/12/55/522061255.db2.gz QAEAMYDKUFCHLX-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000052378791 522139934 /nfs/dbraw/zinc/13/99/34/522139934.db2.gz UPLBFDFQTHHQAW-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1coc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373106 522147937 /nfs/dbraw/zinc/14/79/37/522147937.db2.gz WEBFEJFHXWOCEA-INIZCTEOSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+]1CCc2ccccc2C1 ZINC000052419110 522164214 /nfs/dbraw/zinc/16/42/14/522164214.db2.gz LXMJPVSAHCTHQX-UHFFFAOYSA-N 2 1 256.349 2.557 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757600 522649523 /nfs/dbraw/zinc/64/95/23/522649523.db2.gz BFGUCUABWFWGMF-NFAWXSAZSA-N 2 1 282.453 2.763 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757600 522649528 /nfs/dbraw/zinc/64/95/28/522649528.db2.gz BFGUCUABWFWGMF-NFAWXSAZSA-N 2 1 282.453 2.763 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC000221923612 523662290 /nfs/dbraw/zinc/66/22/90/523662290.db2.gz WQXJFWVIQJKCCH-ZDUSSCGKSA-N 2 1 280.460 2.901 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1C ZINC000221923612 523662299 /nfs/dbraw/zinc/66/22/99/523662299.db2.gz WQXJFWVIQJKCCH-ZDUSSCGKSA-N 2 1 280.460 2.901 10 0 CFAEMP CC[C@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052443931 523922384 /nfs/dbraw/zinc/92/23/84/523922384.db2.gz XFXORQISXCWEOO-NSHDSACASA-N 2 1 255.431 2.871 10 0 CFAEMP CC[C@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052443931 523922389 /nfs/dbraw/zinc/92/23/89/523922389.db2.gz XFXORQISXCWEOO-NSHDSACASA-N 2 1 255.431 2.871 10 0 CFAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CSCc2ccccc21 ZINC000049554343 524170548 /nfs/dbraw/zinc/17/05/48/524170548.db2.gz WFYCBQDYASRLMZ-DOMZBBRYSA-N 2 1 264.438 2.904 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH3+])[C@@H]1C ZINC000050563608 524229936 /nfs/dbraw/zinc/22/99/36/524229936.db2.gz DHPCNWFKEBMCDF-ZIAGYGMSSA-N 2 1 262.397 2.645 10 0 CFAEMP Cc1cc(C[N@@H+](C)Cc2ccsc2)oc1C[NH3+] ZINC000052457280 524664323 /nfs/dbraw/zinc/66/43/23/524664323.db2.gz QCXIQWFBBZWGDF-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1cc(C[N@H+](C)Cc2ccsc2)oc1C[NH3+] ZINC000052457280 524664331 /nfs/dbraw/zinc/66/43/31/524664331.db2.gz QCXIQWFBBZWGDF-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000061815909 524671350 /nfs/dbraw/zinc/67/13/50/524671350.db2.gz VLGAAEKUGDKYML-HUUCEWRRSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000051016718 525443030 /nfs/dbraw/zinc/44/30/30/525443030.db2.gz SCTMWUSFYFVPIG-AAEUAGOBSA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000051016718 525443036 /nfs/dbraw/zinc/44/30/36/525443036.db2.gz SCTMWUSFYFVPIG-AAEUAGOBSA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccccc1C[NH3+] ZINC000050563609 525638880 /nfs/dbraw/zinc/63/88/80/525638880.db2.gz DHPCNWFKEBMCDF-UONOGXRCSA-N 2 1 262.397 2.645 10 0 CFAEMP Cc1occc1C[N@H+](C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052346581 526826148 /nfs/dbraw/zinc/82/61/48/526826148.db2.gz LXXOQRJIQPCUPB-GFCCVEGCSA-N 2 1 250.386 2.941 10 0 CFAEMP CCC[C@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757142163 617799884 /nfs/dbraw/zinc/79/98/84/617799884.db2.gz CTOPLKIENOVEHG-LBPRGKRZSA-N 2 1 254.418 2.802 10 0 CFAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757150398 617830366 /nfs/dbraw/zinc/83/03/66/617830366.db2.gz PRASRLJKDMDUGT-OAHLLOKOSA-N 2 1 252.402 2.511 10 0 CFAEMP C/C(=C/c1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000096839389 618200130 /nfs/dbraw/zinc/20/01/30/618200130.db2.gz GYIVENNAGFGWQT-NMVBRADZSA-N 2 1 256.393 2.916 10 0 CFAEMP C/C(=C/c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000096839389 618200132 /nfs/dbraw/zinc/20/01/32/618200132.db2.gz GYIVENNAGFGWQT-NMVBRADZSA-N 2 1 256.393 2.916 10 0 CFAEMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697419 618286888 /nfs/dbraw/zinc/28/68/88/618286888.db2.gz CAEUMVPNBPGADH-SQNIBIBYSA-N 2 1 288.435 2.574 10 0 CFAEMP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261780827 618432648 /nfs/dbraw/zinc/43/26/48/618432648.db2.gz PKNOWOPAXOGEND-OIISXLGYSA-N 2 1 281.403 2.817 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261600878 619174481 /nfs/dbraw/zinc/17/44/81/619174481.db2.gz QBWAFKWNOPTOHB-CKRXIKOQSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261600878 619174483 /nfs/dbraw/zinc/17/44/83/619174483.db2.gz QBWAFKWNOPTOHB-CKRXIKOQSA-N 2 1 266.335 2.695 10 0 CFAEMP CC[NH2+]C[C@H]1CC[N@H+](CC)[C@@H]1c1ccccc1OC ZINC000199464223 650799327 /nfs/dbraw/zinc/79/93/27/650799327.db2.gz VWHUFFHFYOSQOR-CJNGLKHVSA-N 2 1 262.397 2.688 10 0 CFAEMP CC[NH2+]C[C@H]1CC[N@@H+](CC)[C@@H]1c1ccccc1OC ZINC000199464223 650799329 /nfs/dbraw/zinc/79/93/29/650799329.db2.gz VWHUFFHFYOSQOR-CJNGLKHVSA-N 2 1 262.397 2.688 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252513051 651010562 /nfs/dbraw/zinc/01/05/62/651010562.db2.gz JAGKGTOCCVFDRN-UGUYLWEFSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252513051 651010566 /nfs/dbraw/zinc/01/05/66/651010566.db2.gz JAGKGTOCCVFDRN-UGUYLWEFSA-N 2 1 280.456 2.654 10 0 CFAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)[C@@H]1c1cccnc1 ZINC000414490737 651011881 /nfs/dbraw/zinc/01/18/81/651011881.db2.gz SAXIMROQAPYJQR-HOTGVXAUSA-N 2 1 287.432 2.926 10 0 CFAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)[C@@H]1c1cccnc1 ZINC000414490737 651011886 /nfs/dbraw/zinc/01/18/86/651011886.db2.gz SAXIMROQAPYJQR-HOTGVXAUSA-N 2 1 287.432 2.926 10 0 CFAEMP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041305 346336676 /nfs/dbraw/zinc/33/66/76/346336676.db2.gz FQWJGNJGJWGXFM-ZDUSSCGKSA-N 2 1 262.397 2.876 10 0 CFAEMP [NH3+]C[C@@H]([NH3+])CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000141846840 347932112 /nfs/dbraw/zinc/93/21/12/347932112.db2.gz CTESSZBSNQFERI-ZDUSSCGKSA-N 2 1 270.298 2.711 10 0 CFAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000143703042 347938411 /nfs/dbraw/zinc/93/84/11/347938411.db2.gz FWWPHZSNNVGIHV-MISXGVKJSA-N 2 1 252.789 2.898 10 0 CFAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000143703042 347938414 /nfs/dbraw/zinc/93/84/14/347938414.db2.gz FWWPHZSNNVGIHV-MISXGVKJSA-N 2 1 252.789 2.898 10 0 CFAEMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)s1 ZINC000086818859 179348886 /nfs/dbraw/zinc/34/88/86/179348886.db2.gz ZPWQWTUYAFVUBQ-DGCLKSJQSA-N 2 1 267.442 2.895 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000086817437 179344655 /nfs/dbraw/zinc/34/46/55/179344655.db2.gz BCJRZHHZWJHMFI-KRWDZBQOSA-N 2 1 287.451 2.513 10 0 CFAEMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817407 179344986 /nfs/dbraw/zinc/34/49/86/179344986.db2.gz MWLCTOBQSLGYKP-BBRMVZONSA-N 2 1 289.423 2.780 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817387 179345124 /nfs/dbraw/zinc/34/51/24/179345124.db2.gz MAJPOLOTHHIASP-SWLSCSKDSA-N 2 1 250.361 2.961 10 0 CFAEMP COc1ccc(C[NH+](C)C)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817801 179345784 /nfs/dbraw/zinc/34/57/84/179345784.db2.gz SSQOIHSVMALZMJ-HNNXBMFYSA-N 2 1 291.439 2.653 10 0 CFAEMP CCC[C@@H](COC)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845520 179355754 /nfs/dbraw/zinc/35/57/54/179355754.db2.gz YCIHLXDBBBKSDJ-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccc(C)cc2)CC1 ZINC000086848365 179356402 /nfs/dbraw/zinc/35/64/02/179356402.db2.gz GIOVWPVGIPNSRX-KRWDZBQOSA-N 2 1 275.440 2.635 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848928 179357812 /nfs/dbraw/zinc/35/78/12/179357812.db2.gz SKMZUXFTXIAYHJ-SFHVURJKSA-N 2 1 293.499 2.702 10 0 CFAEMP CCN(Cc1ccco1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086847550 179357062 /nfs/dbraw/zinc/35/70/62/179357062.db2.gz XXQRORSARCXMTR-KRWDZBQOSA-N 2 1 293.455 2.693 10 0 CFAEMP CC(C)[NH+]1CCC(N[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086836800 179351208 /nfs/dbraw/zinc/35/12/08/179351208.db2.gz IRPKSTYQNBFPBV-INIZCTEOSA-N 2 1 281.488 2.712 10 0 CFAEMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086836800 179351210 /nfs/dbraw/zinc/35/12/10/179351210.db2.gz IRPKSTYQNBFPBV-INIZCTEOSA-N 3 1 281.488 2.712 10 0 CFAEMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086836800 179351212 /nfs/dbraw/zinc/35/12/12/179351212.db2.gz IRPKSTYQNBFPBV-INIZCTEOSA-N 3 1 281.488 2.712 10 0 CFAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086840613 179353306 /nfs/dbraw/zinc/35/33/06/179353306.db2.gz CSMVTGHDVLDKTK-IAGOWNOFSA-N 2 1 283.504 2.815 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840613 179353308 /nfs/dbraw/zinc/35/33/08/179353308.db2.gz CSMVTGHDVLDKTK-IAGOWNOFSA-N 2 1 283.504 2.815 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086840613 179353310 /nfs/dbraw/zinc/35/33/10/179353310.db2.gz CSMVTGHDVLDKTK-IAGOWNOFSA-N 2 1 283.504 2.815 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840426 179354054 /nfs/dbraw/zinc/35/40/54/179354054.db2.gz BAJDKKYVMWSVLA-ZFWWWQNUSA-N 2 1 262.397 2.917 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086845165 179354369 /nfs/dbraw/zinc/35/43/69/179354369.db2.gz CTUHRCBMEMNYCK-HNNXBMFYSA-N 2 1 268.445 2.800 10 0 CFAEMP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)o1 ZINC000086844243 179354461 /nfs/dbraw/zinc/35/44/61/179354461.db2.gz PIDUHMLEIJTTOJ-AWEZNQCLSA-N 2 1 250.386 2.941 10 0 CFAEMP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)o1 ZINC000086844243 179354462 /nfs/dbraw/zinc/35/44/62/179354462.db2.gz PIDUHMLEIJTTOJ-AWEZNQCLSA-N 2 1 250.386 2.941 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845357 179354496 /nfs/dbraw/zinc/35/44/96/179354496.db2.gz DQPLWISWERLCRD-GDBMZVCRSA-N 2 1 274.408 2.973 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086845357 179354498 /nfs/dbraw/zinc/35/44/98/179354498.db2.gz DQPLWISWERLCRD-GDBMZVCRSA-N 2 1 274.408 2.973 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846325 179354946 /nfs/dbraw/zinc/35/49/46/179354946.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 1 281.488 2.843 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846325 179354948 /nfs/dbraw/zinc/35/49/48/179354948.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 1 281.488 2.843 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846325 179354950 /nfs/dbraw/zinc/35/49/50/179354950.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 1 281.488 2.843 10 0 CFAEMP CC(C)[NH+]1CCC[C@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846325 179354952 /nfs/dbraw/zinc/35/49/52/179354952.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 1 281.488 2.843 10 0 CFAEMP CC(C)[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846325 179354955 /nfs/dbraw/zinc/35/49/55/179354955.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 1 281.488 2.843 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848928 179357809 /nfs/dbraw/zinc/35/78/09/179357809.db2.gz SKMZUXFTXIAYHJ-SFHVURJKSA-N 2 1 293.499 2.702 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848928 179357810 /nfs/dbraw/zinc/35/78/10/179357810.db2.gz SKMZUXFTXIAYHJ-SFHVURJKSA-N 2 1 293.499 2.702 10 0 CFAEMP CCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846852 179355377 /nfs/dbraw/zinc/35/53/77/179355377.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@H+](CC(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846852 179355381 /nfs/dbraw/zinc/35/53/81/179355381.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@@H+](CC(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846852 179355382 /nfs/dbraw/zinc/35/53/82/179355382.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[NH+](CC(C)C)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086846852 179355386 /nfs/dbraw/zinc/35/53/86/179355386.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[NH+](CC(C)C)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086846852 179355388 /nfs/dbraw/zinc/35/53/88/179355388.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 1 269.477 2.556 10 0 CFAEMP CC(C)[N@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850928 179357983 /nfs/dbraw/zinc/35/79/83/179357983.db2.gz WLPOQSXAEGFTQT-KRWDZBQOSA-N 2 1 287.451 2.859 10 0 CFAEMP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328636143 348442000 /nfs/dbraw/zinc/44/20/00/348442000.db2.gz NWPSZGJTAJDDAV-OAHLLOKOSA-N 2 1 297.402 2.512 10 0 CFAEMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328636143 348442001 /nfs/dbraw/zinc/44/20/01/348442001.db2.gz NWPSZGJTAJDDAV-OAHLLOKOSA-N 2 1 297.402 2.512 10 0 CFAEMP C[C@H](C[NH3+])CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000087999241 179534398 /nfs/dbraw/zinc/53/43/98/179534398.db2.gz SCKPTKUKQIWZPC-VIFPVBQESA-N 2 1 291.258 2.927 10 0 CFAEMP NCC[N@@H+]1CCC[C@H](c2cnc3ccccc3c2)CC1 ZINC000616627539 352389922 /nfs/dbraw/zinc/38/99/22/352389922.db2.gz GSGSVJPSOFCPDH-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP NCC[N@H+]1CCC[C@H](c2cnc3ccccc3c2)CC1 ZINC000616627539 352389924 /nfs/dbraw/zinc/38/99/24/352389924.db2.gz GSGSVJPSOFCPDH-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000630074854 354997810 /nfs/dbraw/zinc/99/78/10/354997810.db2.gz BKSLMYVWQQXNHP-YPMHNXCESA-N 2 1 252.789 2.675 10 0 CFAEMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839643 355602848 /nfs/dbraw/zinc/60/28/48/355602848.db2.gz IZFIBHXAXLGEJM-UTUOFQBUSA-N 2 1 252.789 2.928 10 0 CFAEMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151273723 540372594 /nfs/dbraw/zinc/37/25/94/540372594.db2.gz IWLBJMQQPFAZNW-HZPDHXFCSA-N 2 1 268.445 2.558 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000178321183 189106297 /nfs/dbraw/zinc/10/62/97/189106297.db2.gz MRAQWRQZMPHNKB-INIZCTEOSA-N 2 1 295.390 2.504 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000178321183 189106298 /nfs/dbraw/zinc/10/62/98/189106298.db2.gz MRAQWRQZMPHNKB-INIZCTEOSA-N 2 1 295.390 2.504 10 0 CFAEMP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180144546 189239620 /nfs/dbraw/zinc/23/96/20/189239620.db2.gz QKGVUALAOHDRCH-MIGBEJBISA-N 2 1 288.435 2.543 10 0 CFAEMP COc1ccccc1/C=C/C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275555822 193075118 /nfs/dbraw/zinc/07/51/18/193075118.db2.gz NPLROFCDZRWGJR-CSPWOOARSA-N 2 1 297.402 2.757 10 0 CFAEMP CC[NH+]1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000034996446 372527596 /nfs/dbraw/zinc/52/75/96/372527596.db2.gz ZFQZRBDXMWTUHS-HNNXBMFYSA-N 2 1 260.381 2.584 10 0 CFAEMP C[N@@H+](CCC[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000094087843 375341889 /nfs/dbraw/zinc/34/18/89/375341889.db2.gz YWSVNVSSOOXYQC-UHFFFAOYSA-N 3 1 267.461 2.501 10 0 CFAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508139 190040115 /nfs/dbraw/zinc/04/01/15/190040115.db2.gz PYTOABHAZVOTRP-YPMHNXCESA-N 2 1 272.314 2.527 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC000121154557 376770434 /nfs/dbraw/zinc/77/04/34/376770434.db2.gz JAOOSSDNMTYUQG-CGZBRXJRSA-N 2 1 296.499 2.837 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3cccnc3)C2)n1 ZINC000172159041 379505469 /nfs/dbraw/zinc/50/54/69/379505469.db2.gz VGQXKQNPXIVENF-KRWDZBQOSA-N 2 1 296.418 2.762 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3cccnc3)C2)[nH+]1 ZINC000172159041 379505474 /nfs/dbraw/zinc/50/54/74/379505474.db2.gz VGQXKQNPXIVENF-KRWDZBQOSA-N 2 1 296.418 2.762 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3cccnc3)C2)[nH+]1 ZINC000172159041 379505483 /nfs/dbraw/zinc/50/54/83/379505483.db2.gz VGQXKQNPXIVENF-KRWDZBQOSA-N 2 1 296.418 2.762 10 0 CFAEMP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000174733391 379932799 /nfs/dbraw/zinc/93/27/99/379932799.db2.gz XUSPVNZDTKXDSA-CABCVRRESA-N 2 1 299.418 2.516 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000178333729 380437933 /nfs/dbraw/zinc/43/79/33/380437933.db2.gz DZXQRJNLHUFSDC-AWEZNQCLSA-N 2 1 296.374 2.997 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000178333729 380437940 /nfs/dbraw/zinc/43/79/40/380437940.db2.gz DZXQRJNLHUFSDC-AWEZNQCLSA-N 2 1 296.374 2.997 10 0 CFAEMP C[C@H]([NH2+]Cc1csc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400327167 380853516 /nfs/dbraw/zinc/85/35/16/380853516.db2.gz ATIILJNFYBDANH-WPRPVWTQSA-N 2 1 289.242 2.598 10 0 CFAEMP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400327160 380855059 /nfs/dbraw/zinc/85/50/59/380855059.db2.gz ATIILJNFYBDANH-PSASIEDQSA-N 2 1 289.242 2.598 10 0 CFAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12CC[NH2+]C[C@H]2C ZINC000306159941 382453991 /nfs/dbraw/zinc/45/39/91/382453991.db2.gz SAXVOWYQSQSZGA-VYDXJSESSA-N 2 1 258.409 2.897 10 0 CFAEMP C[C@@H]1[C@@H](NC2=[NH+]CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000306952038 382462263 /nfs/dbraw/zinc/46/22/63/382462263.db2.gz CRCVCAWRDWBLJY-ZBFHGGJFSA-N 2 1 271.408 2.821 10 0 CFAEMP C[C@@H]1[C@@H](NC2=[NH+]CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000306952038 382462269 /nfs/dbraw/zinc/46/22/69/382462269.db2.gz CRCVCAWRDWBLJY-ZBFHGGJFSA-N 2 1 271.408 2.821 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000362 383457028 /nfs/dbraw/zinc/45/70/28/383457028.db2.gz MUXVZYBJVOOUOZ-HIFRSBDPSA-N 2 1 262.397 2.502 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@@H]12 ZINC000261601229 383526484 /nfs/dbraw/zinc/52/64/84/383526484.db2.gz BRNNIWNLEGEORI-RRFJBIMHSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@@H]12 ZINC000261601229 383526486 /nfs/dbraw/zinc/52/64/86/383526486.db2.gz BRNNIWNLEGEORI-RRFJBIMHSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]12 ZINC000261604280 383526703 /nfs/dbraw/zinc/52/67/03/383526703.db2.gz CMXYSVLXGJKCRB-FVQBIDKESA-N 2 1 299.443 2.979 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]12 ZINC000261604280 383526705 /nfs/dbraw/zinc/52/67/05/383526705.db2.gz CMXYSVLXGJKCRB-FVQBIDKESA-N 2 1 299.443 2.979 10 0 CFAEMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625604 383530511 /nfs/dbraw/zinc/53/05/11/383530511.db2.gz DICXHHFSYABDPJ-QGTPRVQTSA-N 2 1 281.403 2.817 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261863969 383571236 /nfs/dbraw/zinc/57/12/36/383571236.db2.gz RMZZNDGSNMESFL-MSOLQXFVSA-N 2 1 281.403 2.564 10 0 CFAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735745 393567076 /nfs/dbraw/zinc/56/70/76/393567076.db2.gz TWZVPQVCNUQJJC-FRRDWIJNSA-N 2 1 260.372 2.729 10 0 CFAEMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000231460048 393781027 /nfs/dbraw/zinc/78/10/27/393781027.db2.gz BQYZIUSBIUKZGL-MRXNPFEDSA-N 2 1 288.435 2.974 10 0 CFAEMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000231460048 393781030 /nfs/dbraw/zinc/78/10/30/393781030.db2.gz BQYZIUSBIUKZGL-MRXNPFEDSA-N 2 1 288.435 2.974 10 0 CFAEMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231461598 393781666 /nfs/dbraw/zinc/78/16/66/393781666.db2.gz SBZZPQRRARWGKJ-OAHLLOKOSA-N 2 1 292.423 2.586 10 0 CFAEMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311151 393921552 /nfs/dbraw/zinc/92/15/52/393921552.db2.gz DUHMTXYTFCHRNE-DLBZAZTESA-N 2 1 282.472 2.735 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000130219874 394105433 /nfs/dbraw/zinc/10/54/33/394105433.db2.gz FNSZLQZLDKEIED-APHBMKBZSA-N 2 1 290.455 2.797 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000130219874 394105435 /nfs/dbraw/zinc/10/54/35/394105435.db2.gz FNSZLQZLDKEIED-APHBMKBZSA-N 2 1 290.455 2.797 10 0 CFAEMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCO3)CC2)cc1 ZINC000037988914 397550814 /nfs/dbraw/zinc/55/08/14/397550814.db2.gz YOIROHIEOMVENV-SFHVURJKSA-N 2 1 288.435 2.810 10 0 CFAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000401785846 413169926 /nfs/dbraw/zinc/16/99/26/413169926.db2.gz ZQEOMCPQBMCPLS-HBIQZDMRSA-N 2 1 264.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222808 397539774 /nfs/dbraw/zinc/53/97/74/397539774.db2.gz WYBLVYSWJKIGBF-BHYGNILZSA-N 2 1 256.393 2.733 10 0 CFAEMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974804 286332074 /nfs/dbraw/zinc/33/20/74/286332074.db2.gz UYJMARFUNRXXPG-JKSUJKDBSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757604 522652814 /nfs/dbraw/zinc/65/28/14/522652814.db2.gz BFGUCUABWFWGMF-UMVBOHGHSA-N 2 1 282.453 2.763 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757604 522652825 /nfs/dbraw/zinc/65/28/25/522652825.db2.gz BFGUCUABWFWGMF-UMVBOHGHSA-N 2 1 282.453 2.763 10 0 CFAEMP COc1cccc([C@H]([NH3+])Cn2cc[nH+]c2C(C)C)c1 ZINC000020262045 171119538 /nfs/dbraw/zinc/11/95/38/171119538.db2.gz ZQPIZJJXLHSAMS-CQSZACIVSA-N 2 1 259.353 2.715 10 0 CFAEMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367493 171165959 /nfs/dbraw/zinc/16/59/59/171165959.db2.gz IYWRQGYGZUPIFY-JYJNAYRXSA-N 2 1 297.487 2.534 10 0 CFAEMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367493 171165960 /nfs/dbraw/zinc/16/59/60/171165960.db2.gz IYWRQGYGZUPIFY-JYJNAYRXSA-N 2 1 297.487 2.534 10 0 CFAEMP [NH3+]CC[C@H](COc1ccccc1Cl)[NH+]1CCCC1 ZINC000020401985 171182470 /nfs/dbraw/zinc/18/24/70/171182470.db2.gz FNZCMUPUDLJOLC-GFCCVEGCSA-N 2 1 268.788 2.532 10 0 CFAEMP [NH3+]C[C@@H](C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000022177164 171371162 /nfs/dbraw/zinc/37/11/62/171371162.db2.gz ROHQPHBGGGNHGM-KRWDZBQOSA-N 2 1 258.409 2.952 10 0 CFAEMP [NH3+]C[C@@H](C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000022177164 171371164 /nfs/dbraw/zinc/37/11/64/171371164.db2.gz ROHQPHBGGGNHGM-KRWDZBQOSA-N 2 1 258.409 2.952 10 0 CFAEMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000022239038 171381459 /nfs/dbraw/zinc/38/14/59/171381459.db2.gz AVCXVGRVKASBHH-CQSZACIVSA-N 2 1 297.402 2.604 10 0 CFAEMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000022239038 171381460 /nfs/dbraw/zinc/38/14/60/171381460.db2.gz AVCXVGRVKASBHH-CQSZACIVSA-N 2 1 297.402 2.604 10 0 CFAEMP C[NH+](C)CCNc1[nH]c2cccc3cccc([nH+]1)c32 ZINC000026185027 171475599 /nfs/dbraw/zinc/47/55/99/171475599.db2.gz OOOHSZJTRAEQOF-UHFFFAOYSA-N 2 1 254.337 2.690 10 0 CFAEMP C[N@H+](Cc1ccsc1)Cc1ccc(C[NH3+])cc1F ZINC000035725096 172379907 /nfs/dbraw/zinc/37/99/07/172379907.db2.gz YQENEWMNRNGZCH-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1ccc(C[NH3+])cc1F ZINC000035725096 172379908 /nfs/dbraw/zinc/37/99/08/172379908.db2.gz YQENEWMNRNGZCH-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000037221932 173041817 /nfs/dbraw/zinc/04/18/17/173041817.db2.gz NVFKUCIVSKYEOY-OCCSQVGLSA-N 2 1 250.361 2.646 10 0 CFAEMP CC[NH+](CC)CCc1noc([C@H]([NH3+])C2CCCCC2)n1 ZINC000038036922 174036541 /nfs/dbraw/zinc/03/65/41/174036541.db2.gz INWDEWLKGKTSNT-CQSZACIVSA-N 2 1 280.416 2.534 10 0 CFAEMP CC[NH+](CC)CCc1noc([C@@H]([NH3+])C2CCCCC2)n1 ZINC000038036923 174036694 /nfs/dbraw/zinc/03/66/94/174036694.db2.gz INWDEWLKGKTSNT-AWEZNQCLSA-N 2 1 280.416 2.534 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041939 174044256 /nfs/dbraw/zinc/04/42/56/174044256.db2.gz IKRWTBABHURSKU-KZNAEPCWSA-N 2 1 295.515 2.818 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041939 174044258 /nfs/dbraw/zinc/04/42/58/174044258.db2.gz IKRWTBABHURSKU-KZNAEPCWSA-N 3 1 295.515 2.818 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041939 174044261 /nfs/dbraw/zinc/04/42/61/174044261.db2.gz IKRWTBABHURSKU-KZNAEPCWSA-N 3 1 295.515 2.818 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000040502619 174298714 /nfs/dbraw/zinc/29/87/14/174298714.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000040502619 174298715 /nfs/dbraw/zinc/29/87/15/174298715.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000040502619 174298717 /nfs/dbraw/zinc/29/87/17/174298717.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000040502619 174298718 /nfs/dbraw/zinc/29/87/18/174298718.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000040502619 174298719 /nfs/dbraw/zinc/29/87/19/174298719.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 1 281.488 2.571 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040593383 174347779 /nfs/dbraw/zinc/34/77/79/174347779.db2.gz NPIRFBJJVNRUIQ-CYBMUJFWSA-N 2 1 257.381 2.599 10 0 CFAEMP CCCN(c1cc(C)[nH+]c(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748878 174394009 /nfs/dbraw/zinc/39/40/09/174394009.db2.gz CLVYAWCPVNXVNM-YIONKMFJSA-N 2 1 274.412 2.593 10 0 CFAEMP CCCC[C@H](CC)C[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000043454514 175050080 /nfs/dbraw/zinc/05/00/80/175050080.db2.gz RIOKDWCNGAFQBZ-INIZCTEOSA-N 2 1 269.477 2.559 10 0 CFAEMP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000043499057 175058172 /nfs/dbraw/zinc/05/81/72/175058172.db2.gz FYXUYNPBYKLOJY-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000043499057 175058173 /nfs/dbraw/zinc/05/81/73/175058173.db2.gz FYXUYNPBYKLOJY-OAHLLOKOSA-N 2 1 250.361 2.790 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818584 175113746 /nfs/dbraw/zinc/11/37/46/175113746.db2.gz MGFXLEOCCPOJIF-HOTGVXAUSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccccc1C ZINC000043818578 175113780 /nfs/dbraw/zinc/11/37/80/175113780.db2.gz NVJSSFPQILFGBF-GOSISDBHSA-N 2 1 289.467 2.673 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](C)CCc1ccncc1 ZINC000043901950 175121969 /nfs/dbraw/zinc/12/19/69/175121969.db2.gz PEPJUSGTBSHTHU-CVEARBPZSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000043901950 175121971 /nfs/dbraw/zinc/12/19/71/175121971.db2.gz PEPJUSGTBSHTHU-CVEARBPZSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904899 175122517 /nfs/dbraw/zinc/12/25/17/175122517.db2.gz VCSJXSGLFIJAGM-ARFHVFGLSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H](C[NH+]1CCC(OCC)CC1)C(C)(C)C ZINC000043907510 175123303 /nfs/dbraw/zinc/12/33/03/175123303.db2.gz XBYMYJZMSPQUEL-OAHLLOKOSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907277 175123410 /nfs/dbraw/zinc/12/34/10/175123410.db2.gz DLHRJERTBKUWMX-KBMXLJTQSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CC)CC(CC)CC ZINC000043967100 175128259 /nfs/dbraw/zinc/12/82/59/175128259.db2.gz LRQNFXOWFAQAAM-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CC)CC(CC)CC ZINC000043967100 175128260 /nfs/dbraw/zinc/12/82/60/175128260.db2.gz LRQNFXOWFAQAAM-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](CC)CCOC ZINC000043968625 175129460 /nfs/dbraw/zinc/12/94/60/175129460.db2.gz XYNKKKZAYBMGRF-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](CC)CCOC ZINC000043968625 175129461 /nfs/dbraw/zinc/12/94/61/175129461.db2.gz XYNKKKZAYBMGRF-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@H+](CC)CCOC ZINC000043968766 175130039 /nfs/dbraw/zinc/13/00/39/175130039.db2.gz JKMCLPDHBMWZHT-PMPSAXMXSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968766 175130040 /nfs/dbraw/zinc/13/00/40/175130040.db2.gz JKMCLPDHBMWZHT-PMPSAXMXSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969194 175130418 /nfs/dbraw/zinc/13/04/18/175130418.db2.gz ATBKFLJCWINLEL-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969194 175130419 /nfs/dbraw/zinc/13/04/19/175130419.db2.gz ATBKFLJCWINLEL-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@H](CC)[N@H+](C)[C@@H](C)COC ZINC000043969513 175130429 /nfs/dbraw/zinc/13/04/29/175130429.db2.gz KESOEYXWDLYYEV-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@H](CC)[N@@H+](C)[C@@H](C)COC ZINC000043969513 175130430 /nfs/dbraw/zinc/13/04/30/175130430.db2.gz KESOEYXWDLYYEV-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@@H](CC)[N@H+](C)[C@@H](C)COC ZINC000043969509 175130601 /nfs/dbraw/zinc/13/06/01/175130601.db2.gz KESOEYXWDLYYEV-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CCC)[C@@H](CC)[N@@H+](C)[C@@H](C)COC ZINC000043969509 175130602 /nfs/dbraw/zinc/13/06/02/175130602.db2.gz KESOEYXWDLYYEV-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969415 175130641 /nfs/dbraw/zinc/13/06/41/175130641.db2.gz FIDCCLPYJOXJDW-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969415 175130643 /nfs/dbraw/zinc/13/06/43/175130643.db2.gz FIDCCLPYJOXJDW-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](CCOC)[C@@H](C)CC ZINC000043973428 175132755 /nfs/dbraw/zinc/13/27/55/175132755.db2.gz PVBMUORTHQMPAK-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](CCOC)[C@@H](C)CC ZINC000043973428 175132756 /nfs/dbraw/zinc/13/27/56/175132756.db2.gz PVBMUORTHQMPAK-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCO[C@H]1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)C1 ZINC000043971373 175133030 /nfs/dbraw/zinc/13/30/30/175133030.db2.gz GIAOYXRTSGHFGB-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCO[C@H]1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)C1 ZINC000043971373 175133031 /nfs/dbraw/zinc/13/30/31/175133031.db2.gz GIAOYXRTSGHFGB-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000043993986 175136499 /nfs/dbraw/zinc/13/64/99/175136499.db2.gz HQHKKQLZGOGGIU-MRXNPFEDSA-N 2 1 273.380 2.941 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1CC)c1ccc2c(c1)OCO2 ZINC000044036908 175140050 /nfs/dbraw/zinc/14/00/50/175140050.db2.gz OEJIDVBOQQXGMI-ZDUSSCGKSA-N 2 1 287.363 2.525 10 0 CFAEMP CCc1ccc([C@H](O)[C@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000044133127 175145171 /nfs/dbraw/zinc/14/51/71/175145171.db2.gz FUODVRHASRDOPW-KBXCAEBGSA-N 2 1 290.451 2.697 10 0 CFAEMP CCc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])C3)c[nH]c21 ZINC000044528018 175192915 /nfs/dbraw/zinc/19/29/15/175192915.db2.gz GQWOIMMXXXBJRS-CYBMUJFWSA-N 2 1 271.408 2.901 10 0 CFAEMP COc1ccccc1C1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000044533469 175196943 /nfs/dbraw/zinc/19/69/43/175196943.db2.gz QYSXWKPRYDGSPL-FHERZECASA-N 2 1 288.435 2.873 10 0 CFAEMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534771 175197357 /nfs/dbraw/zinc/19/73/57/175197357.db2.gz ICRDGHJDJTXDCU-CZUORRHYSA-N 2 1 262.397 2.775 10 0 CFAEMP COc1cc(C[NH2+]CCCC[N@@H+](C)C(C)C)cc(OC)c1 ZINC000044583401 175210437 /nfs/dbraw/zinc/21/04/37/175210437.db2.gz NSFZFRQRLBWLHW-UHFFFAOYSA-N 2 1 294.439 2.914 10 0 CFAEMP Nc1[nH+]c2cc(Cl)ccc2n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726522 175238814 /nfs/dbraw/zinc/23/88/14/175238814.db2.gz YNWMHBHGNPATEN-NSHDSACASA-N 2 1 276.771 2.681 10 0 CFAEMP Nc1[nH+]c2cc(Cl)ccc2n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726522 175238815 /nfs/dbraw/zinc/23/88/15/175238815.db2.gz YNWMHBHGNPATEN-NSHDSACASA-N 2 1 276.771 2.681 10 0 CFAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC1(C)C ZINC000045117964 175311769 /nfs/dbraw/zinc/31/17/69/175311769.db2.gz PZNPYAHQUOSMQA-PEUVFPKISA-N 2 1 250.430 2.883 10 0 CFAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC1(C)C ZINC000045117964 175311770 /nfs/dbraw/zinc/31/17/70/175311770.db2.gz PZNPYAHQUOSMQA-PEUVFPKISA-N 2 1 250.430 2.883 10 0 CFAEMP Cc1ccc2c(c1)[nH+]c(N)n2C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045136019 175313314 /nfs/dbraw/zinc/31/33/14/175313314.db2.gz MCIJDSMNFMMFED-CYBMUJFWSA-N 2 1 272.396 2.657 10 0 CFAEMP CCCC[N@H+](CC[C@](C)([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000045282664 175353578 /nfs/dbraw/zinc/35/35/78/175353578.db2.gz IZQMOAVSPQLGGU-HOCLYGCPSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@@H+](CC[C@](C)([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000045282664 175353579 /nfs/dbraw/zinc/35/35/79/175353579.db2.gz IZQMOAVSPQLGGU-HOCLYGCPSA-N 2 1 285.476 2.521 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372443 175364661 /nfs/dbraw/zinc/36/46/61/175364661.db2.gz MGVLKONCQKYXQY-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372443 175364662 /nfs/dbraw/zinc/36/46/62/175364662.db2.gz MGVLKONCQKYXQY-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH+](CCC)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045378526 175367374 /nfs/dbraw/zinc/36/73/74/175367374.db2.gz JEBDMFSATLZYNR-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[NH+](CCC)CCC)C(=O)OC ZINC000045378620 175367558 /nfs/dbraw/zinc/36/75/58/175367558.db2.gz QVQSIBBMLNNLSX-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[NH+](CCCC)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045380612 175369418 /nfs/dbraw/zinc/36/94/18/175369418.db2.gz GBNKXOQNHDTQLV-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC)C(=O)OCC ZINC000045382204 175370516 /nfs/dbraw/zinc/37/05/16/175370516.db2.gz TVFPQZIOJCRMEL-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382204 175370518 /nfs/dbraw/zinc/37/05/18/175370518.db2.gz TVFPQZIOJCRMEL-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384163 175371202 /nfs/dbraw/zinc/37/12/02/175371202.db2.gz ZDJNGZLTFHBWKT-RDJZCZTQSA-N 2 1 297.487 2.665 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383212 175371383 /nfs/dbraw/zinc/37/13/83/175371383.db2.gz ZLNKXMCKKQHYBM-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383212 175371384 /nfs/dbraw/zinc/37/13/84/175371384.db2.gz ZLNKXMCKKQHYBM-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387606 175373873 /nfs/dbraw/zinc/37/38/73/175373873.db2.gz KSMDXIHTLXLKLB-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387606 175373875 /nfs/dbraw/zinc/37/38/75/175373875.db2.gz KSMDXIHTLXLKLB-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390614 175375082 /nfs/dbraw/zinc/37/50/82/175375082.db2.gz ZNQJASSGARBVHI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390614 175375084 /nfs/dbraw/zinc/37/50/84/175375084.db2.gz ZNQJASSGARBVHI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP C1[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000261886625 275737190 /nfs/dbraw/zinc/73/71/90/275737190.db2.gz FYTPLCAZNHZFMO-IECFSIQFSA-N 2 1 292.467 2.702 10 0 CFAEMP COc1cccc2c(N3C[C@H]([NH+](C)C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000301683726 278025369 /nfs/dbraw/zinc/02/53/69/278025369.db2.gz SVDUVBMSIBRZQE-LRDDRELGSA-N 2 1 299.418 2.938 10 0 CFAEMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCOc2ccccc21 ZINC000251171386 279372264 /nfs/dbraw/zinc/37/22/64/279372264.db2.gz FBXIWRFZPNFKFI-NFAWXSAZSA-N 2 1 260.381 2.630 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000248443320 281022235 /nfs/dbraw/zinc/02/22/35/281022235.db2.gz BBQUBXNYWVOFES-SOLBZPMBSA-N 2 1 296.499 2.837 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197818 519719824 /nfs/dbraw/zinc/71/98/24/519719824.db2.gz NWXQBIJPEZTUOK-UHFFFAOYSA-N 2 1 282.472 2.902 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425258 519724346 /nfs/dbraw/zinc/72/43/46/519724346.db2.gz IVXORDOMBWBBOZ-ZDUSSCGKSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@H+](C)Cc1cccc(F)c1 ZINC000052425258 519724344 /nfs/dbraw/zinc/72/43/44/519724344.db2.gz IVXORDOMBWBBOZ-ZDUSSCGKSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)[NH2+]Cc1cc(C[N@H+]2CCCC[C@@H]2C)on1 ZINC000052378776 519726156 /nfs/dbraw/zinc/72/61/56/519726156.db2.gz QOKJUYZYBDWNLJ-LBPRGKRZSA-N 2 1 251.374 2.547 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180455 519742831 /nfs/dbraw/zinc/74/28/31/519742831.db2.gz VTKZQRCABLDOST-HNNXBMFYSA-N 2 1 268.445 2.513 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453501 519743664 /nfs/dbraw/zinc/74/36/64/519743664.db2.gz AMKRZAOKIYAIGI-UONOGXRCSA-N 2 1 258.475 2.838 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479272 519744742 /nfs/dbraw/zinc/74/47/42/519744742.db2.gz BLULJXOXUQXVOW-BPUTZDHNSA-N 2 1 268.445 2.510 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+](C)Cc2ccco2)CCOCC1 ZINC000052181555 519909464 /nfs/dbraw/zinc/90/94/64/519909464.db2.gz BGUXBMUYBMMEOS-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000052181555 519909466 /nfs/dbraw/zinc/90/94/66/519909466.db2.gz BGUXBMUYBMMEOS-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541689 519928700 /nfs/dbraw/zinc/92/87/00/519928700.db2.gz UWOQHKSPWNUYPJ-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@H+](C)[C@@H](C)CC)cs1 ZINC000052443928 519964188 /nfs/dbraw/zinc/96/41/88/519964188.db2.gz VBSAMGMXTCFHEQ-NSHDSACASA-N 2 1 255.431 2.873 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@@H](C)CC)cs1 ZINC000052443928 519964199 /nfs/dbraw/zinc/96/41/99/519964199.db2.gz VBSAMGMXTCFHEQ-NSHDSACASA-N 2 1 255.431 2.873 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH2+]C)CCOCC1)[C@@H](C)CC ZINC000052198189 520483430 /nfs/dbraw/zinc/48/34/30/520483430.db2.gz LNJUKQDPFHOFPG-HNNXBMFYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N ZINC000049333176 521013611 /nfs/dbraw/zinc/01/36/11/521013611.db2.gz RQZGNTFLGFKHSE-UHFFFAOYSA-N 2 1 261.413 2.577 10 0 CFAEMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N ZINC000049333176 521013616 /nfs/dbraw/zinc/01/36/16/521013616.db2.gz RQZGNTFLGFKHSE-UHFFFAOYSA-N 2 1 261.413 2.577 10 0 CFAEMP CC(C)(C)[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763383 518752570 /nfs/dbraw/zinc/75/25/70/518752570.db2.gz WMJOBRUDBIFSFN-CQSZACIVSA-N 2 1 270.461 2.638 10 0 CFAEMP CC(C)[N@H+](Cc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000052721064 519661688 /nfs/dbraw/zinc/66/16/88/519661688.db2.gz AFQOVEUMSQEKSL-UHFFFAOYSA-N 2 1 276.409 2.839 10 0 CFAEMP CC(C)[N@@H+](Cc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000052721064 519661690 /nfs/dbraw/zinc/66/16/90/519661690.db2.gz AFQOVEUMSQEKSL-UHFFFAOYSA-N 2 1 276.409 2.839 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180697 519719633 /nfs/dbraw/zinc/71/96/33/519719633.db2.gz OOUVUWJREXHRCQ-HNNXBMFYSA-N 2 1 268.445 2.656 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@H+](Cc1ccco1)C1CC1 ZINC000052370828 519724450 /nfs/dbraw/zinc/72/44/50/519724450.db2.gz HHYSMHIQBINPPE-ZDUSSCGKSA-N 2 1 250.386 2.878 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370828 519724451 /nfs/dbraw/zinc/72/44/51/519724451.db2.gz HHYSMHIQBINPPE-ZDUSSCGKSA-N 2 1 250.386 2.878 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000052380262 519727495 /nfs/dbraw/zinc/72/74/95/519727495.db2.gz LJXYHJNESSGHPX-HUUCEWRRSA-N 2 1 276.424 2.794 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181795 519742757 /nfs/dbraw/zinc/74/27/57/519742757.db2.gz ROERVGUFLZMPPW-OAHLLOKOSA-N 2 1 282.472 2.759 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423937 519743716 /nfs/dbraw/zinc/74/37/16/519743716.db2.gz KXFWRSRRRCQMBS-MRXNPFEDSA-N 2 1 277.456 2.970 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCSCC1 ZINC000052370964 519744551 /nfs/dbraw/zinc/74/45/51/519744551.db2.gz ZDFIZVHKADAACN-AWEZNQCLSA-N 2 1 258.475 2.696 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+]1CCCSCC1 ZINC000052370964 519744552 /nfs/dbraw/zinc/74/45/52/519744552.db2.gz ZDFIZVHKADAACN-AWEZNQCLSA-N 2 1 258.475 2.696 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012735 519744832 /nfs/dbraw/zinc/74/48/32/519744832.db2.gz OIPQHEWOMWVSFI-HNNXBMFYSA-N 2 1 264.388 2.893 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012735 519744833 /nfs/dbraw/zinc/74/48/33/519744833.db2.gz OIPQHEWOMWVSFI-HNNXBMFYSA-N 2 1 264.388 2.893 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417305 519745556 /nfs/dbraw/zinc/74/55/56/519745556.db2.gz HDPDXEMANYMINE-KRWDZBQOSA-N 2 1 289.467 2.690 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456900 519746467 /nfs/dbraw/zinc/74/64/67/519746467.db2.gz VVINHEDLNDVIKU-ZBFHGGJFSA-N 2 1 280.412 2.505 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150118 519852503 /nfs/dbraw/zinc/85/25/03/519852503.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150118 519852505 /nfs/dbraw/zinc/85/25/05/519852505.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150118 519852507 /nfs/dbraw/zinc/85/25/07/519852507.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCN([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421980 519859424 /nfs/dbraw/zinc/85/94/24/519859424.db2.gz MSQJQRHJEHRBBN-OAHLLOKOSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180549 519911068 /nfs/dbraw/zinc/91/10/68/519911068.db2.gz MDLFJQOOJTYAFW-IYBDPMFKSA-N 2 1 282.472 2.761 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](C)Cc2cccc(F)c2)CCOCC1 ZINC000052181115 519911655 /nfs/dbraw/zinc/91/16/55/519911655.db2.gz DPUWKKMAIOWWEO-UHFFFAOYSA-N 2 1 294.414 2.664 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2cccc(F)c2)CCOCC1 ZINC000052181115 519911657 /nfs/dbraw/zinc/91/16/57/519911657.db2.gz DPUWKKMAIOWWEO-UHFFFAOYSA-N 2 1 294.414 2.664 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@H+](C)Cc1cscn1 ZINC000052503842 519913573 /nfs/dbraw/zinc/91/35/73/519913573.db2.gz SCRVAPITXVNMHF-LBPRGKRZSA-N 2 1 255.431 2.743 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000052503842 519913577 /nfs/dbraw/zinc/91/35/77/519913577.db2.gz SCRVAPITXVNMHF-LBPRGKRZSA-N 2 1 255.431 2.743 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417349 519919688 /nfs/dbraw/zinc/91/96/88/519919688.db2.gz UKSONPBWWRHCEL-MRXNPFEDSA-N 2 1 275.440 2.587 10 0 CFAEMP CC[NH2+]CCC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000052416563 519919888 /nfs/dbraw/zinc/91/98/88/519919888.db2.gz CMCCRQKACGELSJ-LBPRGKRZSA-N 2 1 252.427 2.884 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456361 519936730 /nfs/dbraw/zinc/93/67/30/519936730.db2.gz VMVRHRJXKFPDNX-KGLIPLIRSA-N 2 1 282.453 2.727 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000052476334 519954985 /nfs/dbraw/zinc/95/49/85/519954985.db2.gz VOPJHJWWXAABBP-LSDHHAIUSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000052476334 519954993 /nfs/dbraw/zinc/95/49/93/519954993.db2.gz VOPJHJWWXAABBP-LSDHHAIUSA-N 2 1 276.424 2.795 10 0 CFAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481911 519956465 /nfs/dbraw/zinc/95/64/65/519956465.db2.gz JRNQVKIJAHSCJF-UHFFFAOYSA-N 2 1 276.424 2.797 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@H+](CC)CCC)cs1 ZINC000052448036 519965330 /nfs/dbraw/zinc/96/53/30/519965330.db2.gz HQRUDCQOQFKFSW-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@@H+](CC)CCC)cs1 ZINC000052448036 519965339 /nfs/dbraw/zinc/96/53/39/519965339.db2.gz HQRUDCQOQFKFSW-UHFFFAOYSA-N 2 1 255.431 2.875 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)CC(C)C)on1 ZINC000052571901 519987549 /nfs/dbraw/zinc/98/75/49/519987549.db2.gz IPPDTGQEQHEJLU-GFCCVEGCSA-N 2 1 253.390 2.651 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482301 519989815 /nfs/dbraw/zinc/98/98/15/519989815.db2.gz PHQFBCRERGBYHE-ZIAGYGMSSA-N 2 1 277.412 2.796 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482301 519989820 /nfs/dbraw/zinc/98/98/20/519989820.db2.gz PHQFBCRERGBYHE-ZIAGYGMSSA-N 2 1 277.412 2.796 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@H]2C)cc1 ZINC000052375894 519999917 /nfs/dbraw/zinc/99/99/17/519999917.db2.gz AWHJEAJNKHWQIV-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](CC)C1CC1 ZINC000052452001 520009169 /nfs/dbraw/zinc/00/91/69/520009169.db2.gz MCFIFMSTTHFJDH-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953638 520284589 /nfs/dbraw/zinc/28/45/89/520284589.db2.gz BFLXVFZONIQGST-HOTGVXAUSA-N 2 1 268.445 2.800 10 0 CFAEMP CCCC[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180920 520396719 /nfs/dbraw/zinc/39/67/19/520396719.db2.gz GDPXTCWRFRPANO-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCCC[C@@](CC)(C[NH3+])[N@H+]1CCC[C@H](OCC)C1 ZINC000069380385 521121461 /nfs/dbraw/zinc/12/14/61/521121461.db2.gz WVXNTRNZFSXJHR-GJZGRUSLSA-N 2 1 256.434 2.785 10 0 CFAEMP CCC(C)(C)N(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000069430248 521309303 /nfs/dbraw/zinc/30/93/03/521309303.db2.gz HFZOAVWJSXZSKK-GOSISDBHSA-N 2 1 289.467 2.710 10 0 CFAEMP CCC(C)(C)N(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000069430248 521309310 /nfs/dbraw/zinc/30/93/10/521309310.db2.gz HFZOAVWJSXZSKK-GOSISDBHSA-N 2 1 289.467 2.710 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052573329 521560111 /nfs/dbraw/zinc/56/01/11/521560111.db2.gz XBXPSQDDYALGIK-UHFFFAOYSA-N 2 1 268.401 2.636 10 0 CFAEMP C[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541630 521997836 /nfs/dbraw/zinc/99/78/36/521997836.db2.gz JAUOLKQHYMJCJE-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484562 522100020 /nfs/dbraw/zinc/10/00/20/522100020.db2.gz ILMMSQKYRKXGOA-GFCCVEGCSA-N 2 1 258.365 2.994 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2CCc3sccc3C2)c(C)o1 ZINC000052416612 522109116 /nfs/dbraw/zinc/10/91/16/522109116.db2.gz RZFQBSFPAHALOO-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCc3sccc3C2)c(C)o1 ZINC000052416612 522109126 /nfs/dbraw/zinc/10/91/26/522109126.db2.gz RZFQBSFPAHALOO-UHFFFAOYSA-N 2 1 276.405 2.927 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381388 522122799 /nfs/dbraw/zinc/12/27/99/522122799.db2.gz ZWLCGQKENKHGGQ-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000052764666 522788135 /nfs/dbraw/zinc/78/81/35/522788135.db2.gz FLDXIKBQPGRLKJ-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP COc1cc2[nH]c(CCC3CC[NH2+]CC3)[nH+]c2cc1OC ZINC000050927012 523064948 /nfs/dbraw/zinc/06/49/48/523064948.db2.gz DFIUXZAYLGEHJG-UHFFFAOYSA-N 2 1 289.379 2.512 10 0 CFAEMP CN1CCC([N@H+](C)Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052419876 523171767 /nfs/dbraw/zinc/17/17/67/523171767.db2.gz YDJUVEJOTOSPSI-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP CN1CCC([N@@H+](C)Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052419876 523171776 /nfs/dbraw/zinc/17/17/76/523171776.db2.gz YDJUVEJOTOSPSI-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP CN(c1cc[nH+]cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163940966 523662340 /nfs/dbraw/zinc/66/23/40/523662340.db2.gz UJAGOUVLBCGTPJ-ZACCUICWSA-N 2 1 296.212 2.563 10 0 CFAEMP COCC[N@@H+]([C@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545478 523781408 /nfs/dbraw/zinc/78/14/08/523781408.db2.gz RZHVWBZSHIRODO-KGLIPLIRSA-N 2 1 270.461 2.900 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccsc1 ZINC000052205943 523792940 /nfs/dbraw/zinc/79/29/40/523792940.db2.gz HALVWOFUDWRWBM-CQSZACIVSA-N 2 1 252.427 2.755 10 0 CFAEMP C[N@H+]1CCCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052424344 523809602 /nfs/dbraw/zinc/80/96/02/523809602.db2.gz FFVXIHRAFGOERM-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052424344 523809609 /nfs/dbraw/zinc/80/96/09/523809609.db2.gz FFVXIHRAFGOERM-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CN1CCC[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052424344 523809614 /nfs/dbraw/zinc/80/96/14/523809614.db2.gz FFVXIHRAFGOERM-UHFFFAOYSA-N 2 1 289.467 2.712 10 0 CFAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccccc1C[NH2+]C ZINC000052547448 523939764 /nfs/dbraw/zinc/93/97/64/523939764.db2.gz BGKZKXLTQAYIAI-AWEZNQCLSA-N 2 1 264.413 2.653 10 0 CFAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000231465214 524011361 /nfs/dbraw/zinc/01/13/61/524011361.db2.gz ZDPUJRGVWRRCGY-ZDUSSCGKSA-N 2 1 282.815 2.923 10 0 CFAEMP C[C@H]1CCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375832 524120990 /nfs/dbraw/zinc/12/09/90/524120990.db2.gz YITKUMRWMOLXOH-NSHDSACASA-N 2 1 251.374 2.547 10 0 CFAEMP C[C@@H]1CCC[N@H+]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052375877 524261659 /nfs/dbraw/zinc/26/16/59/524261659.db2.gz VKFAJPAVYVINQJ-CQSZACIVSA-N 2 1 274.408 2.802 10 0 CFAEMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151245917 524470534 /nfs/dbraw/zinc/47/05/34/524470534.db2.gz QUMSCAYGORMREO-FUHWJXTLSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000052382669 524617525 /nfs/dbraw/zinc/61/75/25/524617525.db2.gz NDWWSLXBDYCHJL-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000052382669 524617535 /nfs/dbraw/zinc/61/75/35/524617535.db2.gz NDWWSLXBDYCHJL-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312202 526249193 /nfs/dbraw/zinc/24/91/93/526249193.db2.gz UPQVTGOPKYACBP-ZDUSSCGKSA-N 2 1 296.377 2.810 10 0 CFAEMP Cc1oc(C[N@@H+](C)Cc2ccc(F)cc2)cc1C[NH3+] ZINC000052346165 526769652 /nfs/dbraw/zinc/76/96/52/526769652.db2.gz JJSMJGYNFXQMFJ-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Cc1oc(C[N@H+](C)Cc2ccc(F)cc2)cc1C[NH3+] ZINC000052346165 526769657 /nfs/dbraw/zinc/76/96/57/526769657.db2.gz JJSMJGYNFXQMFJ-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Cc1oc(C[NH2+]C(C)(C)C)cc1CN1CCC[N@H+](C)CC1 ZINC000052424401 526774609 /nfs/dbraw/zinc/77/46/09/526774609.db2.gz WNGHYUPLAUXXRP-UHFFFAOYSA-N 2 1 293.455 2.614 10 0 CFAEMP Cc1[nH+]c2cc(N)ccc2n1[C@H](C)C[NH+]1CCCC1 ZINC000052855082 527123936 /nfs/dbraw/zinc/12/39/36/527123936.db2.gz NDVMGWJQPIXLDH-LLVKDONJSA-N 2 1 258.369 2.584 10 0 CFAEMP [NH3+]Cc1ncccc1C[N@H+](Cc1ccsc1)C1CC1 ZINC000061656701 527265565 /nfs/dbraw/zinc/26/55/65/527265565.db2.gz JFIBXKATVHREEC-UHFFFAOYSA-N 2 1 273.405 2.766 10 0 CFAEMP [NH3+]Cc1ncccc1C[N@@H+](Cc1ccsc1)C1CC1 ZINC000061656701 527265570 /nfs/dbraw/zinc/26/55/70/527265570.db2.gz JFIBXKATVHREEC-UHFFFAOYSA-N 2 1 273.405 2.766 10 0 CFAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC000228545374 527360362 /nfs/dbraw/zinc/36/03/62/527360362.db2.gz SATOSPYVFLSBET-SBBZOJNGSA-N 2 1 256.393 2.759 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000049329519 527433277 /nfs/dbraw/zinc/43/32/77/527433277.db2.gz YDMLPYOGPQPHAL-LBPRGKRZSA-N 2 1 259.353 2.599 10 0 CFAEMP C[C@@H]1CC(C)(C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757148106 617824823 /nfs/dbraw/zinc/82/48/23/617824823.db2.gz MOGPVOHPVKLJSU-LLVKDONJSA-N 2 1 254.418 2.800 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccsc3Cl)C[C@@H]12 ZINC000261809422 618118627 /nfs/dbraw/zinc/11/86/27/618118627.db2.gz HOIKUEPLZJAUSN-FBIMIBRVSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccsc3Cl)C[C@@H]12 ZINC000261809422 618118628 /nfs/dbraw/zinc/11/86/28/618118628.db2.gz HOIKUEPLZJAUSN-FBIMIBRVSA-N 2 1 256.802 2.571 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000252513050 651010746 /nfs/dbraw/zinc/01/07/46/651010746.db2.gz JAGKGTOCCVFDRN-QXSJWSMHSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000252513050 651010749 /nfs/dbraw/zinc/01/07/49/651010749.db2.gz JAGKGTOCCVFDRN-QXSJWSMHSA-N 2 1 280.456 2.654 10 0 CFAEMP CCc1cc(NC[C@@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000124334454 187132900 /nfs/dbraw/zinc/13/29/00/187132900.db2.gz DTEAEYQWQVDQQK-CQSZACIVSA-N 2 1 285.391 2.540 10 0 CFAEMP CCc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000124334454 187132901 /nfs/dbraw/zinc/13/29/01/187132901.db2.gz DTEAEYQWQVDQQK-CQSZACIVSA-N 2 1 285.391 2.540 10 0 CFAEMP FC(F)(F)c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000095937449 185034489 /nfs/dbraw/zinc/03/44/89/185034489.db2.gz QCAJUGLRCRMEGC-UHFFFAOYSA-N 2 1 284.325 2.891 10 0 CFAEMP FC(F)(F)c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000095937449 185034490 /nfs/dbraw/zinc/03/44/90/185034490.db2.gz QCAJUGLRCRMEGC-UHFFFAOYSA-N 2 1 284.325 2.891 10 0 CFAEMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124938312 187161927 /nfs/dbraw/zinc/16/19/27/187161927.db2.gz KNGHMUWFNJLOOD-AWEZNQCLSA-N 2 1 269.392 2.618 10 0 CFAEMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000124938312 187161928 /nfs/dbraw/zinc/16/19/28/187161928.db2.gz KNGHMUWFNJLOOD-AWEZNQCLSA-N 2 1 269.392 2.618 10 0 CFAEMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1O ZINC000036997093 346326084 /nfs/dbraw/zinc/32/60/84/346326084.db2.gz UJBHYFDRGIJGRW-HZPDHXFCSA-N 2 1 274.408 2.725 10 0 CFAEMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc(C)c1O ZINC000036997093 346326086 /nfs/dbraw/zinc/32/60/86/346326086.db2.gz UJBHYFDRGIJGRW-HZPDHXFCSA-N 2 1 274.408 2.725 10 0 CFAEMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261950052 282509162 /nfs/dbraw/zinc/50/91/62/282509162.db2.gz OCLDOHLHTOZWCS-BZUAXINKSA-N 2 1 294.826 2.587 10 0 CFAEMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)s1 ZINC000086818862 179348839 /nfs/dbraw/zinc/34/88/39/179348839.db2.gz ZPWQWTUYAFVUBQ-AAEUAGOBSA-N 2 1 267.442 2.895 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000086817417 179344599 /nfs/dbraw/zinc/34/45/99/179344599.db2.gz PVYOORFHYCNGMN-HNNXBMFYSA-N 2 1 268.445 2.800 10 0 CFAEMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818500 179347230 /nfs/dbraw/zinc/34/72/30/179347230.db2.gz KZFLBZPDAGMQKD-GDBMZVCRSA-N 2 1 276.424 2.787 10 0 CFAEMP CCN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086848398 179356472 /nfs/dbraw/zinc/35/64/72/179356472.db2.gz OGYPLLJSLJNOBT-QGZVFWFLSA-N 2 1 293.430 2.855 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)Cc2ccco2)CC1 ZINC000086847559 179357334 /nfs/dbraw/zinc/35/73/34/179357334.db2.gz NNFDDYGAGPFUCP-QGZVFWFLSA-N 2 1 293.455 2.695 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)nc2)CC1 ZINC000086844660 179354314 /nfs/dbraw/zinc/35/43/14/179354314.db2.gz PXCMQBXAPGSSLA-MRXNPFEDSA-N 2 1 261.413 2.744 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)nc2)CC1 ZINC000086844660 179354315 /nfs/dbraw/zinc/35/43/15/179354315.db2.gz PXCMQBXAPGSSLA-MRXNPFEDSA-N 2 1 261.413 2.744 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845972 179354409 /nfs/dbraw/zinc/35/44/09/179354409.db2.gz GMMIMQQRBWVJFP-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844767 179355029 /nfs/dbraw/zinc/35/50/29/179355029.db2.gz CMSDPJKUXDRURE-AWEZNQCLSA-N 2 1 281.469 2.848 10 0 CFAEMP CCN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846378 179355106 /nfs/dbraw/zinc/35/51/06/179355106.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+](C1CCCCC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846378 179355109 /nfs/dbraw/zinc/35/51/09/179355109.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@@H+](C1CCCCC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846378 179355111 /nfs/dbraw/zinc/35/51/11/179355111.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+](C1CCCCC1)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846378 179355112 /nfs/dbraw/zinc/35/51/12/179355112.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+](C1CCCCC1)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846378 179355116 /nfs/dbraw/zinc/35/51/16/179355116.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 1 281.488 2.844 10 0 CFAEMP CCOC(=O)C[C@]1([NH+]2CCCCC2)CCC[N@@H+](CC)CC1 ZINC000086868556 179360374 /nfs/dbraw/zinc/36/03/74/179360374.db2.gz DGAIZCVHKYTSJB-KRWDZBQOSA-N 2 1 296.455 2.670 10 0 CFAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000399167856 348568936 /nfs/dbraw/zinc/56/89/36/348568936.db2.gz HKHUZAAKRVHCLH-INIZCTEOSA-N 2 1 296.842 2.837 10 0 CFAEMP CCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862883 186080356 /nfs/dbraw/zinc/08/03/56/186080356.db2.gz YUHMUWZNRNHXTI-SFHVURJKSA-N 2 1 290.451 2.774 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3cccnc32)CC1 ZINC000616600374 352379250 /nfs/dbraw/zinc/37/92/50/352379250.db2.gz IADNVGCFHUFZJT-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3cccnc32)CC1 ZINC000616600374 352379254 /nfs/dbraw/zinc/37/92/54/352379254.db2.gz IADNVGCFHUFZJT-AWEZNQCLSA-N 2 1 269.392 2.763 10 0 CFAEMP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275452476 193044372 /nfs/dbraw/zinc/04/43/72/193044372.db2.gz GOIWGSWEPSCEIT-BGTMTDRBSA-N 2 1 285.366 2.888 10 0 CFAEMP Oc1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000036852359 372602185 /nfs/dbraw/zinc/60/21/85/372602185.db2.gz DLIACFHXZUOYSG-MRXNPFEDSA-N 2 1 274.408 2.845 10 0 CFAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507926 190040201 /nfs/dbraw/zinc/04/02/01/190040201.db2.gz NWKPTWWOFZVAAU-YPMHNXCESA-N 2 1 272.314 2.527 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126561417 377235547 /nfs/dbraw/zinc/23/55/47/377235547.db2.gz CRAAUAJUSFBZSA-FMKPAKJESA-N 2 1 272.392 2.727 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126561417 377235551 /nfs/dbraw/zinc/23/55/51/377235551.db2.gz CRAAUAJUSFBZSA-FMKPAKJESA-N 2 1 272.392 2.727 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126561417 377235563 /nfs/dbraw/zinc/23/55/63/377235563.db2.gz CRAAUAJUSFBZSA-FMKPAKJESA-N 2 1 272.392 2.727 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccn1 ZINC000159003281 378680361 /nfs/dbraw/zinc/68/03/61/378680361.db2.gz WTHAGYVROPBELF-STQMWFEESA-N 2 1 258.369 2.573 10 0 CFAEMP CSCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780004 379777672 /nfs/dbraw/zinc/77/76/72/379777672.db2.gz VQVBIXCGYMQMRN-CQSZACIVSA-N 2 1 279.453 2.877 10 0 CFAEMP CSCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780004 379777679 /nfs/dbraw/zinc/77/76/79/379777679.db2.gz VQVBIXCGYMQMRN-CQSZACIVSA-N 2 1 279.453 2.877 10 0 CFAEMP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c(F)c1 ZINC000188409225 382408540 /nfs/dbraw/zinc/40/85/40/382408540.db2.gz WETWOYYXNHPVMN-AWEZNQCLSA-N 2 1 277.318 2.826 10 0 CFAEMP Fc1ccc(CN2CCC[C@H]2Cn2ccnc2)c(F)c1 ZINC000188409225 382408547 /nfs/dbraw/zinc/40/85/47/382408547.db2.gz WETWOYYXNHPVMN-AWEZNQCLSA-N 2 1 277.318 2.826 10 0 CFAEMP CCSCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188649085 382449014 /nfs/dbraw/zinc/44/90/14/382449014.db2.gz UCNUEICABRYROG-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188649085 382449019 /nfs/dbraw/zinc/44/90/19/382449019.db2.gz UCNUEICABRYROG-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188649085 382449023 /nfs/dbraw/zinc/44/90/23/382449023.db2.gz UCNUEICABRYROG-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188649085 382449029 /nfs/dbraw/zinc/44/90/29/382449029.db2.gz UCNUEICABRYROG-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000380441857 382514957 /nfs/dbraw/zinc/51/49/57/382514957.db2.gz CEZMIYLGRBSIHR-BFQNTYOBSA-N 2 1 280.387 2.812 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358254705 382529667 /nfs/dbraw/zinc/52/96/67/382529667.db2.gz ZPGQGEUYUWXZRB-FZCLSBEQSA-N 2 1 288.435 2.807 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358254705 382529671 /nfs/dbraw/zinc/52/96/71/382529671.db2.gz ZPGQGEUYUWXZRB-FZCLSBEQSA-N 2 1 288.435 2.807 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388336121 382606522 /nfs/dbraw/zinc/60/65/22/382606522.db2.gz URDPKFFZXLGEQV-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388336121 382606524 /nfs/dbraw/zinc/60/65/24/382606524.db2.gz URDPKFFZXLGEQV-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195275874 382766230 /nfs/dbraw/zinc/76/62/30/382766230.db2.gz CHHJUCQOPVQXSN-INIZCTEOSA-N 2 1 291.515 2.713 10 0 CFAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195275874 382766231 /nfs/dbraw/zinc/76/62/31/382766231.db2.gz CHHJUCQOPVQXSN-INIZCTEOSA-N 2 1 291.515 2.713 10 0 CFAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195275874 382766234 /nfs/dbraw/zinc/76/62/34/382766234.db2.gz CHHJUCQOPVQXSN-INIZCTEOSA-N 2 1 291.515 2.713 10 0 CFAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000195275874 382766235 /nfs/dbraw/zinc/76/62/35/382766235.db2.gz CHHJUCQOPVQXSN-INIZCTEOSA-N 2 1 291.515 2.713 10 0 CFAEMP CCc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000231459637 382865048 /nfs/dbraw/zinc/86/50/48/382865048.db2.gz KEHLUVLBNALGAV-GFCCVEGCSA-N 2 1 252.427 2.884 10 0 CFAEMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000583623134 383091450 /nfs/dbraw/zinc/09/14/50/383091450.db2.gz OUJGRILZOGLULO-HOCLYGCPSA-N 2 1 299.418 2.675 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000249065697 383324121 /nfs/dbraw/zinc/32/41/21/383324121.db2.gz KDBWCSWWIDVSDR-IAGOWNOFSA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000249065697 383324127 /nfs/dbraw/zinc/32/41/27/383324127.db2.gz KDBWCSWWIDVSDR-IAGOWNOFSA-N 2 1 291.439 2.597 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000261555847 383511330 /nfs/dbraw/zinc/51/13/30/383511330.db2.gz QCUQLSRHUOTVHG-SCDSUCTJSA-N 2 1 250.773 2.509 10 0 CFAEMP CC1(C)CCC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000261572603 383516199 /nfs/dbraw/zinc/51/61/99/383516199.db2.gz LTRNMQZJEVOZTJ-SOUVJXGZSA-N 2 1 250.430 2.872 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261572623 383516591 /nfs/dbraw/zinc/51/65/91/383516591.db2.gz AIQUTPGJROGMDF-DEKYYXRVSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261572623 383516595 /nfs/dbraw/zinc/51/65/95/383516595.db2.gz AIQUTPGJROGMDF-DEKYYXRVSA-N 2 1 266.335 2.695 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587138 383520724 /nfs/dbraw/zinc/52/07/24/383520724.db2.gz JGQBVUVZNKZMQW-VHDGCEQUSA-N 2 1 256.349 2.602 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593666 383524321 /nfs/dbraw/zinc/52/43/21/383524321.db2.gz NAQQZLDJXYDLHP-BFHYXJOUSA-N 2 1 266.335 2.793 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@H]12 ZINC000261604277 383526933 /nfs/dbraw/zinc/52/69/33/383526933.db2.gz CMXYSVLXGJKCRB-CWRNSKLLSA-N 2 1 299.443 2.979 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@H]12 ZINC000261604277 383526937 /nfs/dbraw/zinc/52/69/37/383526937.db2.gz CMXYSVLXGJKCRB-CWRNSKLLSA-N 2 1 299.443 2.979 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261612410 383528388 /nfs/dbraw/zinc/52/83/88/383528388.db2.gz SPNHRUBWWPWLQC-XIRDDKMYSA-N 2 1 258.409 2.781 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)C[C@@H]12 ZINC000261690737 383543446 /nfs/dbraw/zinc/54/34/46/383543446.db2.gz NHZNZTDOLIJRLR-DAXOMENPSA-N 2 1 285.366 2.543 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698508 383544160 /nfs/dbraw/zinc/54/41/60/383544160.db2.gz NXNDCWJPJZLIFQ-DJSGYFEHSA-N 2 1 285.366 2.543 10 0 CFAEMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261882656 383575033 /nfs/dbraw/zinc/57/50/33/383575033.db2.gz FMKYQNFVGURNJZ-ZHCJQAHYSA-N 2 1 280.456 2.559 10 0 CFAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261990006 383590925 /nfs/dbraw/zinc/59/09/25/383590925.db2.gz SHLMVWGBWSSGIS-RDBSUJKOSA-N 2 1 291.464 2.743 10 0 CFAEMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261787712 383561252 /nfs/dbraw/zinc/56/12/52/383561252.db2.gz OGADVPBCHLDRCK-HZPDHXFCSA-N 2 1 260.425 2.857 10 0 CFAEMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261787716 383561907 /nfs/dbraw/zinc/56/19/07/383561907.db2.gz OGADVPBCHLDRCK-JKSUJKDBSA-N 2 1 260.425 2.857 10 0 CFAEMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261807171 383564916 /nfs/dbraw/zinc/56/49/16/383564916.db2.gz RXAKZAGJXXICSM-VBNZEHGJSA-N 2 1 270.376 2.910 10 0 CFAEMP C[NH+]1CCN(Cc2ccccc2-c2ccc(C[NH3+])cc2)CC1 ZINC000031993448 393511544 /nfs/dbraw/zinc/51/15/44/393511544.db2.gz JCMISCVUFKFDPP-UHFFFAOYSA-N 2 1 295.430 2.560 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)C[C@@H]21 ZINC000381586076 393564572 /nfs/dbraw/zinc/56/45/72/393564572.db2.gz CPMKBJZZURACJJ-ZOBORPQBSA-N 2 1 272.383 2.871 10 0 CFAEMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645274 393565742 /nfs/dbraw/zinc/56/57/42/393565742.db2.gz XQVDCAQKSKXTHS-UPJWGTAASA-N 2 1 260.372 2.871 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400337414 393601620 /nfs/dbraw/zinc/60/16/20/393601620.db2.gz DQCWVYUINNBXOG-VWYCJHECSA-N 2 1 254.324 2.613 10 0 CFAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192438654 393623736 /nfs/dbraw/zinc/62/37/36/393623736.db2.gz QTXSRVHTCYCQOS-GOEBONIOSA-N 2 1 290.451 2.872 10 0 CFAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192438657 393623782 /nfs/dbraw/zinc/62/37/82/393623782.db2.gz QTXSRVHTCYCQOS-HOCLYGCPSA-N 2 1 290.451 2.872 10 0 CFAEMP COc1ccc(C)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231464419 393781626 /nfs/dbraw/zinc/78/16/26/393781626.db2.gz YYAYFZJVTTYCRT-HNNXBMFYSA-N 2 1 262.397 2.578 10 0 CFAEMP COc1ccc(C)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231464419 393781630 /nfs/dbraw/zinc/78/16/30/393781630.db2.gz YYAYFZJVTTYCRT-HNNXBMFYSA-N 2 1 262.397 2.578 10 0 CFAEMP CCC1(CC)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261997973 393952492 /nfs/dbraw/zinc/95/24/92/393952492.db2.gz SZQRFIUJVHUSIO-ZDUSSCGKSA-N 2 1 256.459 2.594 10 0 CFAEMP COc1cccc([C@@H]([NH3+])Cn2cc[nH+]c2C(C)C)c1 ZINC000020262043 171119923 /nfs/dbraw/zinc/11/99/23/171119923.db2.gz ZQPIZJJXLHSAMS-AWEZNQCLSA-N 2 1 259.353 2.715 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022154070 171361218 /nfs/dbraw/zinc/36/12/18/171361218.db2.gz WCZSUGKZDIMBHJ-CQSZACIVSA-N 2 1 289.423 2.596 10 0 CFAEMP C[N@@H+](Cc1cccs1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000035717598 172371559 /nfs/dbraw/zinc/37/15/59/172371559.db2.gz GRWIYSHBKGTWLV-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP C[N@H+](Cc1ccsc1)Cc1cc(C[NH3+])ccc1F ZINC000035725094 172379706 /nfs/dbraw/zinc/37/97/06/172379706.db2.gz BWSKRYHNCIWWPV-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1cc(C[NH3+])ccc1F ZINC000035725094 172379707 /nfs/dbraw/zinc/37/97/07/172379707.db2.gz BWSKRYHNCIWWPV-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173358 173007726 /nfs/dbraw/zinc/00/77/26/173007726.db2.gz YQTDDAIXZXTXPG-SNVBAGLBSA-N 2 1 251.349 2.588 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210004 173032091 /nfs/dbraw/zinc/03/20/91/173032091.db2.gz KEXWCUKQUWBRQY-GXTWGEPZSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037236823 173054469 /nfs/dbraw/zinc/05/44/69/173054469.db2.gz AEBAOPHPFHLDQX-GFCCVEGCSA-N 2 1 267.442 2.975 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028841 174018039 /nfs/dbraw/zinc/01/80/39/174018039.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028841 174018040 /nfs/dbraw/zinc/01/80/40/174018040.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028841 174018041 /nfs/dbraw/zinc/01/80/41/174018041.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096064 174110354 /nfs/dbraw/zinc/11/03/54/174110354.db2.gz SUMRFZLHMVMBGG-OAGGEKHMSA-N 2 1 268.445 2.656 10 0 CFAEMP [NH3+]C[C@]1([NH2+]Cc2ccccc2)CCc2ccccc2C1 ZINC000038438338 174141483 /nfs/dbraw/zinc/14/14/83/174141483.db2.gz XRQMDCPCPNCLBM-SFHVURJKSA-N 2 1 266.388 2.663 10 0 CFAEMP CCCCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000040506733 174302298 /nfs/dbraw/zinc/30/22/98/174302298.db2.gz XFHFYTIWQRAUKB-JKSUJKDBSA-N 2 1 270.461 2.903 10 0 CFAEMP CSCCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668585 174367672 /nfs/dbraw/zinc/36/76/72/174367672.db2.gz CMIWLXVMNMXFKS-ZIAGYGMSSA-N 2 1 258.475 2.840 10 0 CFAEMP C[C@@H]1CCC[C@@](C[NH2+]CCc2ccncc2)([NH+](C)C)C1 ZINC000040669328 174367835 /nfs/dbraw/zinc/36/78/35/174367835.db2.gz WZNMEVGHPGCRHO-NVXWUHKLSA-N 2 1 275.440 2.724 10 0 CFAEMP C[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000040715945 174383698 /nfs/dbraw/zinc/38/36/98/174383698.db2.gz KEJYBHNTPRYLPE-SECBINFHSA-N 2 1 264.760 2.539 10 0 CFAEMP CC[N@@H+](Cc1ccc(O)c(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747462 174392537 /nfs/dbraw/zinc/39/25/37/174392537.db2.gz XLXGIRZKMIOPIK-YIONKMFJSA-N 2 1 290.407 2.506 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(Cl)c1 ZINC000040750139 174394703 /nfs/dbraw/zinc/39/47/03/174394703.db2.gz DLDCGQSQDRBEMT-AGUYFDCRSA-N 2 1 280.799 2.673 10 0 CFAEMP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCC[N@@H+](C)C1 ZINC000042599940 174816413 /nfs/dbraw/zinc/81/64/13/174816413.db2.gz QHMAAAFZBXFEJT-OCCSQVGLSA-N 2 1 252.427 2.611 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000043323793 175006274 /nfs/dbraw/zinc/00/62/74/175006274.db2.gz MCIQFSQVFBFNGD-QMCVRULOSA-N 2 1 262.441 2.933 10 0 CFAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1cccc(F)c1 ZINC000043422977 175039176 /nfs/dbraw/zinc/03/91/76/175039176.db2.gz GVQSEDXLGSVNES-UHFFFAOYSA-N 2 1 251.349 2.610 10 0 CFAEMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000043498928 175058153 /nfs/dbraw/zinc/05/81/53/175058153.db2.gz CISCTPQKOWPBKK-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000043498928 175058154 /nfs/dbraw/zinc/05/81/54/175058154.db2.gz CISCTPQKOWPBKK-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[N@@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511960 175060675 /nfs/dbraw/zinc/06/06/75/175060675.db2.gz PZJVFLCLPKENFY-UHFFFAOYSA-N 2 1 260.303 2.876 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CC)C1CCCCC1 ZINC000043804300 175107803 /nfs/dbraw/zinc/10/78/03/175107803.db2.gz DKHCQIGMODDRNN-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CC)C1CCCCC1 ZINC000043804300 175107804 /nfs/dbraw/zinc/10/78/04/175107804.db2.gz DKHCQIGMODDRNN-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CCCC[N@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817710 175112945 /nfs/dbraw/zinc/11/29/45/175112945.db2.gz ANJCADRUJSFMSJ-JKSUJKDBSA-N 2 1 298.471 2.772 10 0 CFAEMP CCCC[N@@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817710 175112946 /nfs/dbraw/zinc/11/29/46/175112946.db2.gz ANJCADRUJSFMSJ-JKSUJKDBSA-N 2 1 298.471 2.772 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818372 175113059 /nfs/dbraw/zinc/11/30/59/175113059.db2.gz XCMIHVCKHICYED-IKGGRYGDSA-N 2 1 295.515 2.817 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818366 175113178 /nfs/dbraw/zinc/11/31/78/175113178.db2.gz XCMIHVCKHICYED-BBWFWOEESA-N 2 1 295.515 2.817 10 0 CFAEMP CCOC1CC[NH+]([C@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906945 175122430 /nfs/dbraw/zinc/12/24/30/175122430.db2.gz UYCFKOFNWJLTLE-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907615 175123344 /nfs/dbraw/zinc/12/33/44/175123344.db2.gz LUPHVJCLSFPZQA-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966803 175128150 /nfs/dbraw/zinc/12/81/50/175128150.db2.gz AHPBFSUDKBRUPU-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966803 175128151 /nfs/dbraw/zinc/12/81/51/175128151.db2.gz AHPBFSUDKBRUPU-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@H+](CC)CCOC ZINC000043968764 175129436 /nfs/dbraw/zinc/12/94/36/175129436.db2.gz JKMCLPDHBMWZHT-JYJNAYRXSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968764 175129437 /nfs/dbraw/zinc/12/94/37/175129437.db2.gz JKMCLPDHBMWZHT-JYJNAYRXSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000043969363 175130212 /nfs/dbraw/zinc/13/02/12/175130212.db2.gz WGOQLINOZFLGRR-UONOGXRCSA-N 2 1 294.439 2.832 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@@H](CC)[N@H+](C)[C@@H](C)COC ZINC000043969507 175130485 /nfs/dbraw/zinc/13/04/85/175130485.db2.gz KESOEYXWDLYYEV-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@@H](CC)[N@@H+](C)[C@@H](C)COC ZINC000043969507 175130487 /nfs/dbraw/zinc/13/04/87/175130487.db2.gz KESOEYXWDLYYEV-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](CCOC)CC(C)C ZINC000043970508 175131210 /nfs/dbraw/zinc/13/12/10/175131210.db2.gz IOWHYBXLCAXVNE-LSDHHAIUSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCOC)CC(C)C ZINC000043970508 175131211 /nfs/dbraw/zinc/13/12/11/175131211.db2.gz IOWHYBXLCAXVNE-LSDHHAIUSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970516 175131416 /nfs/dbraw/zinc/13/14/16/175131416.db2.gz HANBAUOKUBUUNO-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970803 175132191 /nfs/dbraw/zinc/13/21/91/175132191.db2.gz HPEFZYYGQPTYQN-SJORKVTESA-N 3 1 281.488 2.571 10 0 CFAEMP CC[NH2+][C@@H](C[N@@H+]1CCC[C@H](OCC)C1)C(C)(C)C ZINC000043971556 175133071 /nfs/dbraw/zinc/13/30/71/175133071.db2.gz GIGDCZBKXBGRFI-KBPBESRZSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@@H](C[N@H+]1CCC[C@H](OCC)C1)C(C)(C)C ZINC000043971556 175133072 /nfs/dbraw/zinc/13/30/72/175133072.db2.gz GIGDCZBKXBGRFI-KBPBESRZSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977843 175133206 /nfs/dbraw/zinc/13/32/06/175133206.db2.gz DHJHHMRYFIUIPU-NUEKZKHPSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977303 175133243 /nfs/dbraw/zinc/13/32/43/175133243.db2.gz JKSFEXOPONDUED-KBPBESRZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC(CC)[N@H+](CCOC)C[C@@H]([NH2+]C)C(C)(C)C ZINC000043976913 175133523 /nfs/dbraw/zinc/13/35/23/175133523.db2.gz QCXWHAMMTARSAO-CQSZACIVSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)C[C@@H]([NH2+]C)C(C)(C)C ZINC000043976913 175133525 /nfs/dbraw/zinc/13/35/25/175133525.db2.gz QCXWHAMMTARSAO-CQSZACIVSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[NH2+][C@H](C[N@H+](CCOC)[C@@H](C)C1CC1)C(C)(C)C ZINC000043977593 175133646 /nfs/dbraw/zinc/13/36/46/175133646.db2.gz WKXPKYUPJLQYLC-DZGCQCFKSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@H](C[N@@H+](CCOC)[C@@H](C)C1CC1)C(C)(C)C ZINC000043977593 175133647 /nfs/dbraw/zinc/13/36/47/175133647.db2.gz WKXPKYUPJLQYLC-DZGCQCFKSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977852 175133756 /nfs/dbraw/zinc/13/37/56/175133756.db2.gz DUDWJTISWMKLBE-LZWOXQAQSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977852 175133757 /nfs/dbraw/zinc/13/37/57/175133757.db2.gz DUDWJTISWMKLBE-LZWOXQAQSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1cc(C)ccc1OC ZINC000043993758 175136259 /nfs/dbraw/zinc/13/62/59/175136259.db2.gz GQQUTGJGAWBOBA-HNNXBMFYSA-N 2 1 273.380 2.859 10 0 CFAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000043993996 175136729 /nfs/dbraw/zinc/13/67/29/175136729.db2.gz FFXROSZEZGNGSD-INIZCTEOSA-N 2 1 273.380 2.941 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000043993772 175136755 /nfs/dbraw/zinc/13/67/55/175136755.db2.gz GTIBHOQNMMRPOS-CQSZACIVSA-N 2 1 289.379 2.560 10 0 CFAEMP CCOc1ccc([C@@H](Cn2cc[nH+]c2CC)[NH2+]C)cc1 ZINC000044037322 175140003 /nfs/dbraw/zinc/14/00/03/175140003.db2.gz HNMLWQYCRKVWMM-OAHLLOKOSA-N 2 1 273.380 2.805 10 0 CFAEMP CC[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044133027 175145308 /nfs/dbraw/zinc/14/53/08/175145308.db2.gz PYVHIOUBRDROGJ-IRXDYDNUSA-N 2 1 276.424 2.525 10 0 CFAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000044482750 175180049 /nfs/dbraw/zinc/18/00/49/175180049.db2.gz NULMDFMWNHPHBQ-ZOBUZTSGSA-N 2 1 260.425 2.938 10 0 CFAEMP C[N@@H+](CCCOc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068728 175300569 /nfs/dbraw/zinc/30/05/69/175300569.db2.gz CFJVGKAIJRODEX-UHFFFAOYSA-N 2 1 264.413 2.892 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C ZINC000045379137 175368366 /nfs/dbraw/zinc/36/83/66/175368366.db2.gz PVSLEWKZRDQEKS-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C ZINC000045379137 175368368 /nfs/dbraw/zinc/36/83/68/175368368.db2.gz PVSLEWKZRDQEKS-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380877 175369635 /nfs/dbraw/zinc/36/96/35/175369635.db2.gz RLTZKVJHMSSYNZ-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045380877 175369637 /nfs/dbraw/zinc/36/96/37/175369637.db2.gz RLTZKVJHMSSYNZ-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045380894 175370498 /nfs/dbraw/zinc/37/04/98/175370498.db2.gz GEQILWKSCMFWBR-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045380894 175370500 /nfs/dbraw/zinc/37/05/00/175370500.db2.gz GEQILWKSCMFWBR-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C(C)C ZINC000045383882 175371388 /nfs/dbraw/zinc/37/13/88/175371388.db2.gz NQVATCOTODMAPR-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C(C)C ZINC000045383882 175371389 /nfs/dbraw/zinc/37/13/89/175371389.db2.gz NQVATCOTODMAPR-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045385859 175371823 /nfs/dbraw/zinc/37/18/23/175371823.db2.gz PNMVVZHGIQZEJH-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045385859 175371825 /nfs/dbraw/zinc/37/18/25/175371825.db2.gz PNMVVZHGIQZEJH-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384885 175371844 /nfs/dbraw/zinc/37/18/44/175371844.db2.gz LPVUHKWKDSWYDA-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384885 175371845 /nfs/dbraw/zinc/37/18/45/175371845.db2.gz LPVUHKWKDSWYDA-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387447 175372591 /nfs/dbraw/zinc/37/25/91/175372591.db2.gz WWEVSKOGVVERRH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]CC)C(=O)OCC)C1CC1 ZINC000045387447 175372592 /nfs/dbraw/zinc/37/25/92/175372592.db2.gz WWEVSKOGVVERRH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)C1CCCC1)[NH2+]C ZINC000045390600 175374736 /nfs/dbraw/zinc/37/47/36/175374736.db2.gz XTEHJRNWHNUCMV-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CCCC1)[NH2+]C ZINC000045390600 175374738 /nfs/dbraw/zinc/37/47/38/175374738.db2.gz XTEHJRNWHNUCMV-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045392902 175375902 /nfs/dbraw/zinc/37/59/02/175375902.db2.gz TZNKZSYYDNOCPP-WMLDXEAASA-N 2 1 298.471 2.817 10 0 CFAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045392902 175375904 /nfs/dbraw/zinc/37/59/04/175375904.db2.gz TZNKZSYYDNOCPP-WMLDXEAASA-N 2 1 298.471 2.817 10 0 CFAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C1CCCCCC1 ZINC000045419129 175377257 /nfs/dbraw/zinc/37/72/57/175377257.db2.gz LPIGTNWVZGKROD-INIZCTEOSA-N 2 1 284.444 2.702 10 0 CFAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421000 175379653 /nfs/dbraw/zinc/37/96/53/175379653.db2.gz KJAMJOHCCLOMLZ-WMLDXEAASA-N 2 1 299.503 2.765 10 0 CFAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142460 176039815 /nfs/dbraw/zinc/03/98/15/176039815.db2.gz VOBLQGVWORZWRK-ZDUSSCGKSA-N 2 1 257.381 2.518 10 0 CFAEMP COCC[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071401864 176154024 /nfs/dbraw/zinc/15/40/24/176154024.db2.gz UDEWOLAVROJEIF-MRXNPFEDSA-N 2 1 262.397 2.577 10 0 CFAEMP CC[C@@H]1C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401699 176154060 /nfs/dbraw/zinc/15/40/60/176154060.db2.gz ZACSHDZRRXZNSX-CVEARBPZSA-N 2 1 262.397 2.577 10 0 CFAEMP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000258773711 270274879 /nfs/dbraw/zinc/27/48/79/270274879.db2.gz AUOZEXPNNOXDBK-SECBINFHSA-N 2 1 259.180 2.693 10 0 CFAEMP CC1(C)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262005581 278201148 /nfs/dbraw/zinc/20/11/48/278201148.db2.gz UYGDAGYVOMVANW-BZUAXINKSA-N 2 1 280.456 2.702 10 0 CFAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629051 278332292 /nfs/dbraw/zinc/33/22/92/278332292.db2.gz BLUAHGBTPQBFFY-JONQDZQNSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@]1(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)CC[NH2+]C1 ZINC000262070121 279159449 /nfs/dbraw/zinc/15/94/49/279159449.db2.gz SALDUJGPSYPACX-DOTOQJQBSA-N 2 1 292.398 2.669 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041938 279323409 /nfs/dbraw/zinc/32/34/09/279323409.db2.gz IKRWTBABHURSKU-KURKYZTESA-N 2 1 295.515 2.818 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041938 279323412 /nfs/dbraw/zinc/32/34/12/279323412.db2.gz IKRWTBABHURSKU-KURKYZTESA-N 3 1 295.515 2.818 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041938 279323416 /nfs/dbraw/zinc/32/34/16/279323416.db2.gz IKRWTBABHURSKU-KURKYZTESA-N 3 1 295.515 2.818 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)[nH+]1 ZINC000249806346 281245979 /nfs/dbraw/zinc/24/59/79/281245979.db2.gz BIVRZMIAHQQNAO-JKSUJKDBSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)[nH+]1 ZINC000249806346 281245981 /nfs/dbraw/zinc/24/59/81/281245981.db2.gz BIVRZMIAHQQNAO-JKSUJKDBSA-N 2 1 289.423 2.693 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052503425 519716721 /nfs/dbraw/zinc/71/67/21/519716721.db2.gz KFPLYHOWVAHNLZ-HNNXBMFYSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052503425 519716723 /nfs/dbraw/zinc/71/67/23/519716723.db2.gz KFPLYHOWVAHNLZ-HNNXBMFYSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)C[NH2+]CCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543374 519743291 /nfs/dbraw/zinc/74/32/91/519743291.db2.gz URNSRFUCDZWDJH-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](C)Cc2cccs2)CCOCC1 ZINC000052181569 519912149 /nfs/dbraw/zinc/91/21/49/519912149.db2.gz DRCZZOPNVHLDPE-UHFFFAOYSA-N 2 1 282.453 2.586 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2cccs2)CCOCC1 ZINC000052181569 519912153 /nfs/dbraw/zinc/91/21/53/519912153.db2.gz DRCZZOPNVHLDPE-UHFFFAOYSA-N 2 1 282.453 2.586 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423925 519913443 /nfs/dbraw/zinc/91/34/43/519913443.db2.gz OYLVSBVAWNNPEB-OAHLLOKOSA-N 2 1 263.429 2.724 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423927 519912945 /nfs/dbraw/zinc/91/29/45/519912945.db2.gz OYLVSBVAWNNPEB-HNNXBMFYSA-N 2 1 263.429 2.724 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000053011713 519936090 /nfs/dbraw/zinc/93/60/90/519936090.db2.gz FYPHFGGCQXJEMM-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000053011713 519936095 /nfs/dbraw/zinc/93/60/95/519936095.db2.gz FYPHFGGCQXJEMM-CQSZACIVSA-N 2 1 262.397 2.517 10 0 CFAEMP CCC(CC)NC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049285414 521574729 /nfs/dbraw/zinc/57/47/29/521574729.db2.gz HXKRQLMPBGLXSR-UHFFFAOYSA-N 2 1 297.487 2.665 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181444 521970321 /nfs/dbraw/zinc/97/03/21/521970321.db2.gz CCKTWOFRBBSVFF-OAHLLOKOSA-N 2 1 270.461 2.759 10 0 CFAEMP CC(C)(C)[NH2+]CCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571566 518754645 /nfs/dbraw/zinc/75/46/45/518754645.db2.gz FDOWLNLEWFTAMJ-UHFFFAOYSA-N 2 1 269.477 2.571 10 0 CFAEMP CC(C)(C)[NH2+]Cc1occc1C[NH+]1CCSCC1 ZINC000052443314 518771360 /nfs/dbraw/zinc/77/13/60/518771360.db2.gz PMJUUIWUXRARHT-UHFFFAOYSA-N 2 1 268.426 2.717 10 0 CFAEMP CC(C)[N@@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1 ZINC000052417195 519654046 /nfs/dbraw/zinc/65/40/46/519654046.db2.gz VJQYDQVSKPJQKH-UHFFFAOYSA-N 2 1 259.353 2.544 10 0 CFAEMP CC(C)C[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181368 519708831 /nfs/dbraw/zinc/70/88/31/519708831.db2.gz AZWYHWSTJRHYQJ-UHFFFAOYSA-N 2 1 270.461 2.759 10 0 CFAEMP CC(C)C[N@H+](CCC[NH3+])Cc1ccc(F)cc1F ZINC000050872178 519715262 /nfs/dbraw/zinc/71/52/62/519715262.db2.gz INRZVMQPZSXENQ-UHFFFAOYSA-N 2 1 256.340 2.772 10 0 CFAEMP CC(C)C[N@@H+](CCC[NH3+])Cc1ccc(F)cc1F ZINC000050872178 519715264 /nfs/dbraw/zinc/71/52/64/519715264.db2.gz INRZVMQPZSXENQ-UHFFFAOYSA-N 2 1 256.340 2.772 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052503426 519716644 /nfs/dbraw/zinc/71/66/44/519716644.db2.gz KFPLYHOWVAHNLZ-OAHLLOKOSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052503426 519716646 /nfs/dbraw/zinc/71/66/46/519716646.db2.gz KFPLYHOWVAHNLZ-OAHLLOKOSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180555 519720069 /nfs/dbraw/zinc/72/00/69/519720069.db2.gz PBLPBAUKZRFJPW-IYBDPMFKSA-N 2 1 282.472 2.759 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052419902 519726581 /nfs/dbraw/zinc/72/65/81/519726581.db2.gz VHFSIXPKAUPBEG-UHFFFAOYSA-N 2 1 289.467 2.711 10 0 CFAEMP CC(C)[NH2+]Cc1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC000052419902 519726584 /nfs/dbraw/zinc/72/65/84/519726584.db2.gz VHFSIXPKAUPBEG-UHFFFAOYSA-N 2 1 289.467 2.711 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000052453534 519743323 /nfs/dbraw/zinc/74/33/23/519743323.db2.gz RBQSDXNIZDAQGH-CQSZACIVSA-N 2 1 258.475 2.840 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382930 519744588 /nfs/dbraw/zinc/74/45/88/519744588.db2.gz TUHJCPDVUYHZBM-CYBMUJFWSA-N 2 1 266.454 2.988 10 0 CFAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382930 519744589 /nfs/dbraw/zinc/74/45/89/519744589.db2.gz TUHJCPDVUYHZBM-CYBMUJFWSA-N 2 1 266.454 2.988 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C)C2)O1 ZINC000052381588 519746444 /nfs/dbraw/zinc/74/64/44/519746444.db2.gz STOITUOSRWLCLW-OAGGEKHMSA-N 2 1 268.445 2.512 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479273 519746488 /nfs/dbraw/zinc/74/64/88/519746488.db2.gz BLULJXOXUQXVOW-IMJJTQAJSA-N 2 1 268.445 2.510 10 0 CFAEMP CCCC1CC[NH+](Cc2cc(C[NH2+]C3CC3)no2)CC1 ZINC000052373941 519901971 /nfs/dbraw/zinc/90/19/71/519901971.db2.gz PUTAZXDDYQFSJD-UHFFFAOYSA-N 2 1 277.412 2.939 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198223 519910789 /nfs/dbraw/zinc/91/07/89/519910789.db2.gz ZRCPGGMXISFTSS-CVEARBPZSA-N 2 1 282.472 2.903 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545427 519911654 /nfs/dbraw/zinc/91/16/54/519911654.db2.gz SKIMCHHWGJBTDL-HNNXBMFYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183470 519913137 /nfs/dbraw/zinc/91/31/37/519913137.db2.gz YCIXYULKRPMSMI-HOTGVXAUSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[NH2+]CCCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416956 519919154 /nfs/dbraw/zinc/91/91/54/519919154.db2.gz OHYOYNJAFAKCMJ-GOSISDBHSA-N 2 1 289.467 2.755 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572050 519926509 /nfs/dbraw/zinc/92/65/09/519926509.db2.gz YOPWFVSOWUGDCK-HRCADAONSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+]Cc1ccc(OCC[N@@H+](C)C(C)C)cc1 ZINC000052419601 519952100 /nfs/dbraw/zinc/95/21/00/519952100.db2.gz GNEUPBIDKDMVCS-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346396 519952953 /nfs/dbraw/zinc/95/29/53/519952953.db2.gz OYPKWQPALMRYFS-JKSUJKDBSA-N 2 1 296.842 2.929 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+](C)CCC ZINC000052444495 519956501 /nfs/dbraw/zinc/95/65/01/519956501.db2.gz DQYPNBJLUDBKBZ-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482120 519978127 /nfs/dbraw/zinc/97/81/27/519978127.db2.gz CDNSLTGNFHNLTI-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)C2)oc1C ZINC000052381243 519986668 /nfs/dbraw/zinc/98/66/68/519986668.db2.gz ZPPWJJKYCTYBGI-GFCCVEGCSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000052375892 519999504 /nfs/dbraw/zinc/99/95/04/519999504.db2.gz AWHJEAJNKHWQIV-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](CC)[C@@H](C)CC)cs1 ZINC000052450722 520021598 /nfs/dbraw/zinc/02/15/98/520021598.db2.gz FRLAFHKQOOUNPK-NSHDSACASA-N 2 1 255.431 2.873 10 0 CFAEMP CC[NH2+]Cc1occc1C[N@H+]1CCc2ccccc2C1 ZINC000052419111 520030892 /nfs/dbraw/zinc/03/08/92/520030892.db2.gz UYVNMYORDKXZHN-UHFFFAOYSA-N 2 1 270.376 2.947 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953630 520271289 /nfs/dbraw/zinc/27/12/89/520271289.db2.gz ONEMLIISPRXDAX-MRXNPFEDSA-N 2 1 268.445 2.657 10 0 CFAEMP CCCO[C@H]1CCC[N@H+]([C@@H](C)CC[NH2+]CC(C)C)C1 ZINC000052371686 520287018 /nfs/dbraw/zinc/28/70/18/520287018.db2.gz UNXHDXWVMTWLBO-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974822 520345423 /nfs/dbraw/zinc/34/54/23/520345423.db2.gz UYJMARFUNRXXPG-HZPDHXFCSA-N 2 1 280.456 2.656 10 0 CFAEMP CCCC[N@@H+](C)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052417982 520409854 /nfs/dbraw/zinc/40/98/54/520409854.db2.gz PBXHABCODDXCAT-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CCCC[N@@H+](C)CCOc1cccc(C[NH2+]CC)c1 ZINC000052417975 520410641 /nfs/dbraw/zinc/41/06/41/520410641.db2.gz QJLFVKXAHCDIQT-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC1(C)C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052481773 520478161 /nfs/dbraw/zinc/47/81/61/520478161.db2.gz FOANZMBRGPEEHM-UHFFFAOYSA-N 2 1 274.408 2.549 10 0 CFAEMP CCCC[N@@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@H](C)CC ZINC000052372714 520542408 /nfs/dbraw/zinc/54/24/08/520542408.db2.gz YJGDXOWVVZVJRU-OAHLLOKOSA-N 2 1 295.475 2.677 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262801 520958357 /nfs/dbraw/zinc/95/83/57/520958357.db2.gz RVGOINWQCGNMKZ-MRXNPFEDSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262804 520958626 /nfs/dbraw/zinc/95/86/26/520958626.db2.gz RVGOINWQCGNMKZ-INIZCTEOSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[N@H+](CC1CC1)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000069237060 520968847 /nfs/dbraw/zinc/96/88/47/520968847.db2.gz CJNHLAGMBAPZPE-WBMJQRKESA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@@H+](CC1CC1)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000069237060 520968854 /nfs/dbraw/zinc/96/88/54/520968854.db2.gz CJNHLAGMBAPZPE-WBMJQRKESA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239563 521003968 /nfs/dbraw/zinc/00/39/68/521003968.db2.gz GWILIRQIONVEBC-KRWDZBQOSA-N 2 1 298.471 2.818 10 0 CFAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239563 521003973 /nfs/dbraw/zinc/00/39/73/521003973.db2.gz GWILIRQIONVEBC-KRWDZBQOSA-N 2 1 298.471 2.818 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069429361 521308830 /nfs/dbraw/zinc/30/88/30/521308830.db2.gz QEXISMMDDFLXID-GFCCVEGCSA-N 2 1 277.412 2.593 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)CC1CC1)[NH2+]C(C)C ZINC000069239525 521319183 /nfs/dbraw/zinc/31/91/83/521319183.db2.gz OBXSBGJATCVLRP-KRWDZBQOSA-N 2 1 298.471 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)CC1CC1)[NH2+]C(C)C ZINC000069239525 521319188 /nfs/dbraw/zinc/31/91/88/521319188.db2.gz OBXSBGJATCVLRP-KRWDZBQOSA-N 2 1 298.471 2.818 10 0 CFAEMP CC[N@@H+](Cc1cccs1)Cc1ccoc1C[NH3+] ZINC000052546357 521410616 /nfs/dbraw/zinc/41/06/16/521410616.db2.gz OBJNLITZDTWKLL-UHFFFAOYSA-N 2 1 250.367 2.822 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)Cc1cc(F)ccc1C[NH3+] ZINC000069401334 521420715 /nfs/dbraw/zinc/42/07/15/521420715.db2.gz HAZWGQBRGMSUGP-UHFFFAOYSA-N 2 1 273.355 2.702 10 0 CFAEMP CCC(CC)C[N@@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C)O1 ZINC000052540724 521519626 /nfs/dbraw/zinc/51/96/26/521519626.db2.gz FMIUCQKLTPZKGE-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP C[NH2+]CC1(C[N@H+](Cc2ccsc2)C2CC2)CCOCC1 ZINC000052183049 521967823 /nfs/dbraw/zinc/96/78/23/521967823.db2.gz IVGOXMNIYAMJCW-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](Cc2ccsc2)C2CC2)CCOCC1 ZINC000052183049 521967836 /nfs/dbraw/zinc/96/78/36/521967836.db2.gz IVGOXMNIYAMJCW-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000052373469 522107801 /nfs/dbraw/zinc/10/78/01/522107801.db2.gz CINYDHBTQAHOHC-NEPJUHHUSA-N 2 1 250.386 2.928 10 0 CFAEMP CC[C@@H](C)N1CC[NH+]([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074358 522131375 /nfs/dbraw/zinc/13/13/75/522131375.db2.gz IMGRHKNHNHVSOH-HZPDHXFCSA-N 2 1 269.477 2.569 10 0 CFAEMP C[N@@H+](CCC[NH2+]CCOCC(F)(F)F)C1CCCCC1 ZINC000049311013 522773453 /nfs/dbraw/zinc/77/34/53/522773453.db2.gz AOKRSWMIFUKOGD-UHFFFAOYSA-N 2 1 296.377 2.810 10 0 CFAEMP C[N@@H+](C[C@H]1CCCO1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374533 523127713 /nfs/dbraw/zinc/12/77/13/523127713.db2.gz PPWDPLACEVZEMV-OTTFEQOBSA-N 2 1 294.361 2.547 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000082666785 523239329 /nfs/dbraw/zinc/23/93/29/523239329.db2.gz CLTOHLDVRDTEHI-JTQLQIEISA-N 2 1 258.818 2.975 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000082666785 523239332 /nfs/dbraw/zinc/23/93/32/523239332.db2.gz CLTOHLDVRDTEHI-JTQLQIEISA-N 2 1 258.818 2.975 10 0 CFAEMP C[N@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231668774 523388266 /nfs/dbraw/zinc/38/82/66/523388266.db2.gz APTDVSJQBALPJE-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP C[N@@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231668774 523388273 /nfs/dbraw/zinc/38/82/73/523388273.db2.gz APTDVSJQBALPJE-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP COc1ccc(C)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000050705048 523809593 /nfs/dbraw/zinc/80/95/93/523809593.db2.gz ROBXTBPBMIAKLP-KBPBESRZSA-N 2 1 262.397 2.563 10 0 CFAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000050705049 523809839 /nfs/dbraw/zinc/80/98/39/523809839.db2.gz ROBXTBPBMIAKLP-UONOGXRCSA-N 2 1 262.397 2.563 10 0 CFAEMP CC[C@H](C)[N@@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181196 523914768 /nfs/dbraw/zinc/91/47/68/523914768.db2.gz KKARTDWPUGKZGX-HNNXBMFYSA-N 2 1 270.461 2.759 10 0 CFAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000231465189 524010134 /nfs/dbraw/zinc/01/01/34/524010134.db2.gz ZDPUJRGVWRRCGY-CYBMUJFWSA-N 2 1 282.815 2.923 10 0 CFAEMP C[C@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049184998 524321576 /nfs/dbraw/zinc/32/15/76/524321576.db2.gz FCUJZTIVFNZHFM-SNVBAGLBSA-N 2 1 278.787 2.929 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CSCc2ccccc21 ZINC000049554342 524478579 /nfs/dbraw/zinc/47/85/79/524478579.db2.gz WFYCBQDYASRLMZ-WFASDCNBSA-N 2 1 264.438 2.904 10 0 CFAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)CCc1ccccn1 ZINC000052423816 524733793 /nfs/dbraw/zinc/73/37/93/524733793.db2.gz MTWQHVHVXSSOLU-AWEZNQCLSA-N 2 1 263.429 2.580 10 0 CFAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2sccc21 ZINC000061363759 524901963 /nfs/dbraw/zinc/90/19/63/524901963.db2.gz DNBQVSOZIQPMKP-DMDPSCGWSA-N 2 1 250.411 2.937 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000052382667 524993277 /nfs/dbraw/zinc/99/32/77/524993277.db2.gz NDWWSLXBDYCHJL-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000052382667 524993285 /nfs/dbraw/zinc/99/32/85/524993285.db2.gz NDWWSLXBDYCHJL-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000050565061 525642834 /nfs/dbraw/zinc/64/28/34/525642834.db2.gz OGXPODCQSWTYHK-WDEREUQCSA-N 2 1 263.360 2.730 10 0 CFAEMP Cc1c(C)n([C@@H](CC(C)C)C[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000049559805 525688059 /nfs/dbraw/zinc/68/80/59/525688059.db2.gz SOCMSUHVBXHQMT-ZDUSSCGKSA-N 2 1 289.427 2.779 10 0 CFAEMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049667492 526074754 /nfs/dbraw/zinc/07/47/54/526074754.db2.gz JHCDRPIOIKHFSA-STQMWFEESA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049667492 526074765 /nfs/dbraw/zinc/07/47/65/526074765.db2.gz JHCDRPIOIKHFSA-STQMWFEESA-N 2 1 250.361 2.961 10 0 CFAEMP Cc1oc(C[N@H+](Cc2ccco2)C2CC2)cc1C[NH3+] ZINC000052370854 526769103 /nfs/dbraw/zinc/76/91/03/526769103.db2.gz PDLJFQOZXGPCNV-UHFFFAOYSA-N 2 1 260.337 2.804 10 0 CFAEMP Cc1oc(C[N@@H+](Cc2ccco2)C2CC2)cc1C[NH3+] ZINC000052370854 526769109 /nfs/dbraw/zinc/76/91/09/526769109.db2.gz PDLJFQOZXGPCNV-UHFFFAOYSA-N 2 1 260.337 2.804 10 0 CFAEMP Cc1oc(C[N@H+](C)Cc2ccc(C)cc2)cc1C[NH3+] ZINC000052424635 526769613 /nfs/dbraw/zinc/76/96/13/526769613.db2.gz ZZOKRAHLCHLRKD-UHFFFAOYSA-N 2 1 258.365 2.987 10 0 CFAEMP [NH3+]CCC[N@@H+](CCOCC(F)(F)F)C1CCCCC1 ZINC000049310709 527178259 /nfs/dbraw/zinc/17/82/59/527178259.db2.gz ZVCJHKOVAUMFJE-UHFFFAOYSA-N 2 1 282.350 2.549 10 0 CFAEMP [NH3+]CCC[N@@H+](CCOCC(F)(F)F)C1CCCCCC1 ZINC000049310710 527179015 /nfs/dbraw/zinc/17/90/15/527179015.db2.gz MLHMVUYIXKLCME-UHFFFAOYSA-N 2 1 296.377 2.939 10 0 CFAEMP [NH3+]Cc1ccc(F)cc1C[N@H+]1CCc2ccccc2C1 ZINC000069401128 527254962 /nfs/dbraw/zinc/25/49/62/527254962.db2.gz WNNCXMIUGCLHBO-UHFFFAOYSA-N 2 1 270.351 2.843 10 0 CFAEMP [NH3+]Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702144 527260718 /nfs/dbraw/zinc/26/07/18/527260718.db2.gz IYCFPXBXEIKJTR-KRWDZBQOSA-N 2 1 282.387 2.799 10 0 CFAEMP [NH3+]Cc1ccoc1C[N@H+](Cc1cccs1)C1CC1 ZINC000052370677 527262910 /nfs/dbraw/zinc/26/29/10/527262910.db2.gz XREUTQIZQUKXAX-UHFFFAOYSA-N 2 1 262.378 2.964 10 0 CFAEMP [NH3+]Cc1ccoc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370677 527262915 /nfs/dbraw/zinc/26/29/15/527262915.db2.gz XREUTQIZQUKXAX-UHFFFAOYSA-N 2 1 262.378 2.964 10 0 CFAEMP [NH3+]Cc1occc1C[N@H+](Cc1cccs1)C1CC1 ZINC000052370683 527269230 /nfs/dbraw/zinc/26/92/30/527269230.db2.gz HBFFXOSTHDPGRA-UHFFFAOYSA-N 2 1 262.378 2.964 10 0 CFAEMP [NH3+]Cc1occc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370683 527269233 /nfs/dbraw/zinc/26/92/33/527269233.db2.gz HBFFXOSTHDPGRA-UHFFFAOYSA-N 2 1 262.378 2.964 10 0 CFAEMP [NH3+]Cc1occc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373083 527269563 /nfs/dbraw/zinc/26/95/63/527269563.db2.gz ANZCEGNKIJJTAF-AWEZNQCLSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+]Cc1occc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373083 527269566 /nfs/dbraw/zinc/26/95/66/527269566.db2.gz ANZCEGNKIJJTAF-AWEZNQCLSA-N 2 1 256.349 2.728 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000049330326 527430410 /nfs/dbraw/zinc/43/04/10/527430410.db2.gz GAAVLMKZFFNTKY-AWEZNQCLSA-N 2 1 273.380 2.557 10 0 CFAEMP CC[C@H]1CN(c2ccc([NH+](CC)CC)cc2)CC[NH2+]1 ZINC000083449824 536160475 /nfs/dbraw/zinc/16/04/75/536160475.db2.gz SKEZKIYNZMLFHJ-AWEZNQCLSA-N 2 1 261.413 2.721 10 0 CFAEMP [NH3+]C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000050249446 618102575 /nfs/dbraw/zinc/10/25/75/618102575.db2.gz HTNPGWRYVPQMPH-JTQLQIEISA-N 2 1 261.756 2.673 10 0 CFAEMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399229809 619090736 /nfs/dbraw/zinc/09/07/36/619090736.db2.gz GHDTVMQAHJEHBE-HZPDHXFCSA-N 2 1 282.472 2.638 10 0 CFAEMP COc1ccc([C@@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261939891 619335850 /nfs/dbraw/zinc/33/58/50/619335850.db2.gz DNPXACIIDCKWBI-HNNXBMFYSA-N 2 1 288.435 2.874 10 0 CFAEMP C/C(=C/c1ccco1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096794713 650998673 /nfs/dbraw/zinc/99/86/73/650998673.db2.gz IWYJDWJXRFYPQU-KAMYIIQDSA-N 2 1 260.381 2.758 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252548117 651011850 /nfs/dbraw/zinc/01/18/50/651011850.db2.gz MFLVRVAEJZYPKJ-DISONHOPSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252548117 651011854 /nfs/dbraw/zinc/01/18/54/651011854.db2.gz MFLVRVAEJZYPKJ-DISONHOPSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252548116 651012032 /nfs/dbraw/zinc/01/20/32/651012032.db2.gz MFLVRVAEJZYPKJ-CWQOZTLDSA-N 2 1 294.483 2.900 10 0 CFAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252548116 651012036 /nfs/dbraw/zinc/01/20/36/651012036.db2.gz MFLVRVAEJZYPKJ-CWQOZTLDSA-N 2 1 294.483 2.900 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963359 647141819 /nfs/dbraw/zinc/14/18/19/647141819.db2.gz YIEUUPZFUBZRPT-USXIJHARSA-N 2 1 256.393 2.649 10 0 CFAEMP CCc1cc(NC[C@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000124334663 187132707 /nfs/dbraw/zinc/13/27/07/187132707.db2.gz DTEAEYQWQVDQQK-AWEZNQCLSA-N 2 1 285.391 2.540 10 0 CFAEMP CCc1cc(NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000124334663 187132708 /nfs/dbraw/zinc/13/27/08/187132708.db2.gz DTEAEYQWQVDQQK-AWEZNQCLSA-N 2 1 285.391 2.540 10 0 CFAEMP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000334410586 282956576 /nfs/dbraw/zinc/95/65/76/282956576.db2.gz JVEVTIKIULAIKC-CABCVRRESA-N 2 1 254.393 2.874 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000113037025 347765611 /nfs/dbraw/zinc/76/56/11/347765611.db2.gz LRNYVLXFLNVAFC-IACUBPJLSA-N 2 1 284.325 2.875 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000113037025 347765613 /nfs/dbraw/zinc/76/56/13/347765613.db2.gz LRNYVLXFLNVAFC-IACUBPJLSA-N 2 1 284.325 2.875 10 0 CFAEMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818501 179347641 /nfs/dbraw/zinc/34/76/41/179347641.db2.gz KZFLBZPDAGMQKD-HOCLYGCPSA-N 2 1 276.424 2.787 10 0 CFAEMP CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818609 179346586 /nfs/dbraw/zinc/34/65/86/179346586.db2.gz IICDVSXEAVOKKU-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP CCN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846375 179355784 /nfs/dbraw/zinc/35/57/84/179355784.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+](C1CCCCC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846375 179355785 /nfs/dbraw/zinc/35/57/85/179355785.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@@H+](C1CCCCC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846375 179355787 /nfs/dbraw/zinc/35/57/87/179355787.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+](C1CCCCC1)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846375 179355789 /nfs/dbraw/zinc/35/57/89/179355789.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+](C1CCCCC1)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846375 179355790 /nfs/dbraw/zinc/35/57/90/179355790.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCCC2)CC1 ZINC000086847916 179355959 /nfs/dbraw/zinc/35/59/59/179355959.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)CC2CCCCC2)CC1 ZINC000086847916 179355962 /nfs/dbraw/zinc/35/59/62/179355962.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)CC2CCCCC2)CC1 ZINC000086847916 179355965 /nfs/dbraw/zinc/35/59/65/179355965.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)CC2CCCCC2)CC1 ZINC000086847916 179355966 /nfs/dbraw/zinc/35/59/66/179355966.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)CC2CCCCC2)CC1 ZINC000086847916 179355969 /nfs/dbraw/zinc/35/59/69/179355969.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 1 281.488 2.702 10 0 CFAEMP CCCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086847862 179356446 /nfs/dbraw/zinc/35/64/46/179356446.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CCC[N@H+](CC1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086847862 179356447 /nfs/dbraw/zinc/35/64/47/179356447.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CCC[N@@H+](CC1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086847862 179356449 /nfs/dbraw/zinc/35/64/49/179356449.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CCC[NH+](CC1CC1)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086847862 179356450 /nfs/dbraw/zinc/35/64/50/179356450.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CCC[NH+](CC1CC1)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086847862 179356451 /nfs/dbraw/zinc/35/64/51/179356451.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 1 281.488 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848253 179356484 /nfs/dbraw/zinc/35/64/84/179356484.db2.gz NBRHEILOFZXBCH-MRXNPFEDSA-N 2 1 269.477 2.556 10 0 CFAEMP CC(C)CCN(C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086847648 179357202 /nfs/dbraw/zinc/35/72/02/179357202.db2.gz JLFCOSXXGJGOSU-MRXNPFEDSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357771 /nfs/dbraw/zinc/35/77/71/179357771.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 1 295.515 2.948 10 0 CFAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357773 /nfs/dbraw/zinc/35/77/73/179357773.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 1 295.515 2.948 10 0 CFAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357775 /nfs/dbraw/zinc/35/77/75/179357775.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 1 295.515 2.948 10 0 CFAEMP CC[NH+]1CCC[C@@](CN)([N@@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357777 /nfs/dbraw/zinc/35/77/77/179357777.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 1 295.515 2.948 10 0 CFAEMP CC[NH+]1CCC[C@@](CN)([N@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357779 /nfs/dbraw/zinc/35/77/79/179357779.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 1 295.515 2.948 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C)nc2)CC1 ZINC000086844657 179355233 /nfs/dbraw/zinc/35/52/33/179355233.db2.gz PXCMQBXAPGSSLA-INIZCTEOSA-N 2 1 261.413 2.744 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C)nc2)CC1 ZINC000086844657 179355236 /nfs/dbraw/zinc/35/52/36/179355236.db2.gz PXCMQBXAPGSSLA-INIZCTEOSA-N 2 1 261.413 2.744 10 0 CFAEMP Cc1cccnc1C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844926 179355627 /nfs/dbraw/zinc/35/56/27/179355627.db2.gz YNOHXCMKZKFEID-HNNXBMFYSA-N 2 1 261.413 2.743 10 0 CFAEMP Cc1cccnc1C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844926 179355628 /nfs/dbraw/zinc/35/56/28/179355628.db2.gz YNOHXCMKZKFEID-HNNXBMFYSA-N 2 1 261.413 2.743 10 0 CFAEMP CCOC(=O)C[C@]1([NH+]2CCCC2)CCC[N@H+](C(C)C)CC1 ZINC000086868519 179360533 /nfs/dbraw/zinc/36/05/33/179360533.db2.gz GSTILGKRIJYYQD-KRWDZBQOSA-N 2 1 296.455 2.669 10 0 CFAEMP Cn1c[nH+]cc1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000314580822 348426511 /nfs/dbraw/zinc/42/65/11/348426511.db2.gz VXXGQBWOXMTDDY-UHFFFAOYSA-N 2 1 273.424 2.767 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)cn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654115 348441875 /nfs/dbraw/zinc/44/18/75/348441875.db2.gz XEYUSVKAQMZHSF-LBPRGKRZSA-N 2 1 290.798 2.626 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)cn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654115 348441878 /nfs/dbraw/zinc/44/18/78/348441878.db2.gz XEYUSVKAQMZHSF-LBPRGKRZSA-N 2 1 290.798 2.626 10 0 CFAEMP C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657035 348441966 /nfs/dbraw/zinc/44/19/66/348441966.db2.gz ZXUKBFTWQLIKQT-JTQLQIEISA-N 2 1 296.827 2.687 10 0 CFAEMP C[N@H+](Cc1cnc(Cl)s1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657035 348441969 /nfs/dbraw/zinc/44/19/69/348441969.db2.gz ZXUKBFTWQLIKQT-JTQLQIEISA-N 2 1 296.827 2.687 10 0 CFAEMP CC[N@H+]1C[C@H](Nc2cc[nH+]cc2Br)[C@@H](C)C1 ZINC000309455879 539883936 /nfs/dbraw/zinc/88/39/36/539883936.db2.gz MLGPTRBCHJTUMF-CABZTGNLSA-N 2 1 284.201 2.596 10 0 CFAEMP CC[N@@H+]1C[C@H](Nc2cc[nH+]cc2Br)[C@@H](C)C1 ZINC000309455879 539883939 /nfs/dbraw/zinc/88/39/39/539883939.db2.gz MLGPTRBCHJTUMF-CABZTGNLSA-N 2 1 284.201 2.596 10 0 CFAEMP CO[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630358951 355064557 /nfs/dbraw/zinc/06/45/57/355064557.db2.gz BHLHGQVNYRYBTC-RDJZCZTQSA-N 2 1 276.424 2.550 10 0 CFAEMP CO[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630358951 355064558 /nfs/dbraw/zinc/06/45/58/355064558.db2.gz BHLHGQVNYRYBTC-RDJZCZTQSA-N 2 1 276.424 2.550 10 0 CFAEMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840085 355603185 /nfs/dbraw/zinc/60/31/85/355603185.db2.gz PHSXZCAZGXLCTI-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840085 355603186 /nfs/dbraw/zinc/60/31/86/355603186.db2.gz PHSXZCAZGXLCTI-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP COc1cccc2c(N3C[C@@H](C)[C@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000301683728 201136050 /nfs/dbraw/zinc/13/60/50/201136050.db2.gz SVDUVBMSIBRZQE-MLGOLLRUSA-N 2 1 299.418 2.938 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000011848605 371931438 /nfs/dbraw/zinc/93/14/38/371931438.db2.gz AZRILRMQVPNCBT-GFCCVEGCSA-N 2 1 280.169 2.654 10 0 CFAEMP Cc1cc[nH+]c(N[C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195088912 220227567 /nfs/dbraw/zinc/22/75/67/220227567.db2.gz AMNLUDQSMRCUGK-AWEZNQCLSA-N 2 1 265.320 2.710 10 0 CFAEMP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000085630994 374802702 /nfs/dbraw/zinc/80/27/02/374802702.db2.gz IKSNZHDEUPJODC-JJXSEGSLSA-N 2 1 280.456 2.510 10 0 CFAEMP O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151325910 378317543 /nfs/dbraw/zinc/31/75/43/378317543.db2.gz STDDJRPPZVKGJH-WMZOPIPTSA-N 2 1 288.435 2.500 10 0 CFAEMP c1cc2[nH+]ccc(N3CCC4(C3)CC[NH2+]CC4)c2s1 ZINC000335298010 379040896 /nfs/dbraw/zinc/04/08/96/379040896.db2.gz MCZQSKTYYYEYDR-UHFFFAOYSA-N 2 1 273.405 2.876 10 0 CFAEMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172066326 379481304 /nfs/dbraw/zinc/48/13/04/379481304.db2.gz RHWXDSMMESCZAV-NVXWUHKLSA-N 2 1 260.425 2.891 10 0 CFAEMP Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)sc1C ZINC000176389355 380225852 /nfs/dbraw/zinc/22/58/52/380225852.db2.gz BJBWUHWSGFCIKS-CQSZACIVSA-N 2 1 290.436 2.929 10 0 CFAEMP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)sc1C ZINC000176389355 380225858 /nfs/dbraw/zinc/22/58/58/380225858.db2.gz BJBWUHWSGFCIKS-CQSZACIVSA-N 2 1 290.436 2.929 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000400349979 380857100 /nfs/dbraw/zinc/85/71/00/380857100.db2.gz JQQBVZHETQJOLH-DCAQKATOSA-N 2 1 254.324 2.613 10 0 CFAEMP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000385160751 382566943 /nfs/dbraw/zinc/56/69/43/382566943.db2.gz RULDSXBJMNJEPR-GXSJLCMTSA-N 2 1 261.756 2.814 10 0 CFAEMP CCCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195275560 382765724 /nfs/dbraw/zinc/76/57/24/382765724.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 1 261.413 2.635 10 0 CFAEMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000583623136 383091365 /nfs/dbraw/zinc/09/13/65/383091365.db2.gz OUJGRILZOGLULO-ZBFHGGJFSA-N 2 1 299.418 2.675 10 0 CFAEMP CC[C@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249325090 383340241 /nfs/dbraw/zinc/34/02/41/383340241.db2.gz GUGJOGGXANXRIW-MSOLQXFVSA-N 2 1 290.451 2.601 10 0 CFAEMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987636 383456692 /nfs/dbraw/zinc/45/66/92/383456692.db2.gz GTESFOFJCAVOOZ-HZPDHXFCSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987636 383456696 /nfs/dbraw/zinc/45/66/96/383456696.db2.gz GTESFOFJCAVOOZ-HZPDHXFCSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987636 383456699 /nfs/dbraw/zinc/45/66/99/383456699.db2.gz GTESFOFJCAVOOZ-HZPDHXFCSA-N 3 1 281.488 2.619 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261556987 383511010 /nfs/dbraw/zinc/51/10/10/383511010.db2.gz CLCAIFJXJGVFHW-KCQAQPDRSA-N 2 1 264.800 2.818 10 0 CFAEMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568333 383515004 /nfs/dbraw/zinc/51/50/04/383515004.db2.gz KBKTVBFHYCIDNB-HIFRSBDPSA-N 2 1 264.388 2.688 10 0 CFAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261583656 383519518 /nfs/dbraw/zinc/51/95/18/383519518.db2.gz HJRCYRQJPYPXGL-SCRDCRAPSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261583656 383519522 /nfs/dbraw/zinc/51/95/22/383519522.db2.gz HJRCYRQJPYPXGL-SCRDCRAPSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261583655 383519968 /nfs/dbraw/zinc/51/99/68/383519968.db2.gz HJRCYRQJPYPXGL-OUCADQQQSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261583655 383519973 /nfs/dbraw/zinc/51/99/73/383519973.db2.gz HJRCYRQJPYPXGL-OUCADQQQSA-N 2 1 280.799 2.518 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588739 383522908 /nfs/dbraw/zinc/52/29/08/383522908.db2.gz KIKOSWKDRVPLMF-IXDOHACOSA-N 2 1 256.393 2.733 10 0 CFAEMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596571 383525313 /nfs/dbraw/zinc/52/53/13/383525313.db2.gz AHXZXNSLRMDYCD-GVDBMIGSSA-N 2 1 281.403 2.712 10 0 CFAEMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2O1 ZINC000261632870 383532673 /nfs/dbraw/zinc/53/26/73/383532673.db2.gz HSKIFPYNKNHKAW-NUEKZKHPSA-N 2 1 286.419 2.569 10 0 CFAEMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261899437 383577065 /nfs/dbraw/zinc/57/70/65/383577065.db2.gz HMRDUGOCDDEAGA-ILOCAZANSA-N 2 1 294.483 2.948 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261950777 383583886 /nfs/dbraw/zinc/58/38/86/383583886.db2.gz NXZMKGNIWZEZKT-NJZAAPMLSA-N 2 1 294.826 2.908 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261950777 383583889 /nfs/dbraw/zinc/58/38/89/383583889.db2.gz NXZMKGNIWZEZKT-NJZAAPMLSA-N 2 1 294.826 2.908 10 0 CFAEMP C[C@@]1(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]C1 ZINC000261752892 383553351 /nfs/dbraw/zinc/55/33/51/383553351.db2.gz KBJTZJMYFBBETP-HZPDHXFCSA-N 2 1 294.826 2.793 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@@H]12 ZINC000261780942 383559527 /nfs/dbraw/zinc/55/95/27/383559527.db2.gz WXYNBPPDCXTXKF-FVQBIDKESA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@@H]12 ZINC000261780942 383559530 /nfs/dbraw/zinc/55/95/30/383559530.db2.gz WXYNBPPDCXTXKF-FVQBIDKESA-N 2 1 283.375 2.511 10 0 CFAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261823076 383566363 /nfs/dbraw/zinc/56/63/63/383566363.db2.gz IMVQFGJUGJGYDQ-MJBXVCDLSA-N 2 1 287.432 2.774 10 0 CFAEMP Cc1nc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)sc1C ZINC000262236886 383613358 /nfs/dbraw/zinc/61/33/58/383613358.db2.gz OPOFVYAZDWJHOK-HNNXBMFYSA-N 2 1 293.480 2.939 10 0 CFAEMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000400337404 393601117 /nfs/dbraw/zinc/60/11/17/393601117.db2.gz DQCWVYUINNBXOG-DCAQKATOSA-N 2 1 254.324 2.613 10 0 CFAEMP C[N@H+](Cc1cccs1)Cc1ccccc1C(N)=[NH2+] ZINC000035717602 172371384 /nfs/dbraw/zinc/37/13/84/172371384.db2.gz SEHZNSFNMXFWOZ-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP C[N@@H+](Cc1cccs1)Cc1ccccc1C(N)=[NH2+] ZINC000035717602 172371386 /nfs/dbraw/zinc/37/13/86/172371386.db2.gz SEHZNSFNMXFWOZ-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@H+](C)C1 ZINC000037210088 173031180 /nfs/dbraw/zinc/03/11/80/173031180.db2.gz HNXPYMQVHNRRMX-JSGCOSHPSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000037210088 173031182 /nfs/dbraw/zinc/03/11/82/173031182.db2.gz HNXPYMQVHNRRMX-JSGCOSHPSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210073 173031700 /nfs/dbraw/zinc/03/17/00/173031700.db2.gz CGTFUMMFLJYLMM-CHWSQXEVSA-N 2 1 252.427 2.611 10 0 CFAEMP C=COCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000037221606 173041554 /nfs/dbraw/zinc/04/15/54/173041554.db2.gz OBOMHMALPHXXTK-HUUCEWRRSA-N 2 1 254.418 2.637 10 0 CFAEMP CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000037240596 173057236 /nfs/dbraw/zinc/05/72/36/173057236.db2.gz HPADPLRCNBRHBR-PMPSAXMXSA-N 2 1 268.445 2.654 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656608067 414616438 /nfs/dbraw/zinc/61/64/38/414616438.db2.gz HHHKSHAEJYITAX-ZDUSSCGKSA-N 2 1 279.815 2.951 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028840 174017906 /nfs/dbraw/zinc/01/79/06/174017906.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028840 174017908 /nfs/dbraw/zinc/01/79/08/174017908.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028840 174017909 /nfs/dbraw/zinc/01/79/09/174017909.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028857 174018255 /nfs/dbraw/zinc/01/82/55/174018255.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 2 1 295.515 2.961 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028857 174018257 /nfs/dbraw/zinc/01/82/57/174018257.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 2 1 295.515 2.961 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028857 174018259 /nfs/dbraw/zinc/01/82/59/174018259.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 2 1 295.515 2.961 10 0 CFAEMP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000040640575 174364520 /nfs/dbraw/zinc/36/45/20/174364520.db2.gz YROYAOQCOKDRGC-HNNXBMFYSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@@H]1CCC[C@](C[NH2+]CCc2ccccn2)([NH+](C)C)C1 ZINC000040669324 174368137 /nfs/dbraw/zinc/36/81/37/174368137.db2.gz ZKPHWEYIKCSALX-WBVHZDCISA-N 2 1 275.440 2.724 10 0 CFAEMP CC(C)[NH2+]CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694480 174378335 /nfs/dbraw/zinc/37/83/35/174378335.db2.gz GVUSOFLXFQPELR-UHFFFAOYSA-N 2 1 281.488 2.715 10 0 CFAEMP Cc1ccc(C)c(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750141 174394863 /nfs/dbraw/zinc/39/48/63/174394863.db2.gz JUMDOYHVPFGOFU-MQVJKMGUSA-N 2 1 274.408 2.636 10 0 CFAEMP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000042562678 174798466 /nfs/dbraw/zinc/79/84/66/174798466.db2.gz ALBYPZGPWDLQNG-KBPBESRZSA-N 2 1 291.439 2.839 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000043323794 175006341 /nfs/dbraw/zinc/00/63/41/175006341.db2.gz MCIQFSQVFBFNGD-YHXWVGAOSA-N 2 1 262.441 2.933 10 0 CFAEMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326317 175007743 /nfs/dbraw/zinc/00/77/43/175007743.db2.gz IQCOCKJJEIALAR-FZMZJTMJSA-N 2 1 252.789 2.613 10 0 CFAEMP C(C[C@H]1CCC[NH2+]C1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000043591965 175074273 /nfs/dbraw/zinc/07/42/73/175074273.db2.gz KBBLFAIXBYANES-QGZVFWFLSA-N 2 1 293.499 2.717 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)C(C)C)c1 ZINC000043813267 175111096 /nfs/dbraw/zinc/11/10/96/175111096.db2.gz BKSVXOPVGXZUNE-GFCCVEGCSA-N 2 1 250.386 2.816 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)CC)c1 ZINC000043820717 175114207 /nfs/dbraw/zinc/11/42/07/175114207.db2.gz PVQIQXJCDMYSPP-GFCCVEGCSA-N 2 1 250.386 2.817 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889823 175117458 /nfs/dbraw/zinc/11/74/58/175117458.db2.gz YTAZHXLECJFGBA-XHSDSOJGSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889823 175117459 /nfs/dbraw/zinc/11/74/59/175117459.db2.gz YTAZHXLECJFGBA-XHSDSOJGSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H](C[NH+]1CCC(OC)CC1)C(C)(C)C ZINC000043890354 175118047 /nfs/dbraw/zinc/11/80/47/175118047.db2.gz OZOWMHBZLPMLMJ-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890350 175118111 /nfs/dbraw/zinc/11/81/11/175118111.db2.gz OGHYNRLUUSJGLW-BMFZPTHFSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890357 175118219 /nfs/dbraw/zinc/11/82/19/175118219.db2.gz OJNUXTQWDCSFNK-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[NH+]1CCC(OCC)CC1 ZINC000043907094 175123458 /nfs/dbraw/zinc/12/34/58/175123458.db2.gz OZPCLRXEGNICIW-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[NH+]1CCC(OCC)CC1 ZINC000043907090 175123529 /nfs/dbraw/zinc/12/35/29/175123529.db2.gz OZPCLRXEGNICIW-HUUCEWRRSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H](C)CC[N@H+](C)Cc1cccc(OC)c1 ZINC000043911957 175123817 /nfs/dbraw/zinc/12/38/17/175123817.db2.gz HNOIAPUIBBBDIP-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911957 175123818 /nfs/dbraw/zinc/12/38/18/175123818.db2.gz HNOIAPUIBBBDIP-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043915107 175124552 /nfs/dbraw/zinc/12/45/52/175124552.db2.gz IKZSJFFVLXNIMW-HZPDHXFCSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043915107 175124554 /nfs/dbraw/zinc/12/45/54/175124554.db2.gz IKZSJFFVLXNIMW-HZPDHXFCSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@@H](CC)[N@H+](CC)CCOC ZINC000043968795 175129987 /nfs/dbraw/zinc/12/99/87/175129987.db2.gz JHKNYAMISYBUQO-LSDHHAIUSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@@H](CC)[N@@H+](CC)CCOC ZINC000043968795 175129988 /nfs/dbraw/zinc/12/99/88/175129988.db2.gz JHKNYAMISYBUQO-LSDHHAIUSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000043969151 175130355 /nfs/dbraw/zinc/13/03/55/175130355.db2.gz ORLILNMZUCXSID-LJISPDSOSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](C)[C@@H](C)COC)C1 ZINC000043969151 175130357 /nfs/dbraw/zinc/13/03/57/175130357.db2.gz ORLILNMZUCXSID-LJISPDSOSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969401 175130505 /nfs/dbraw/zinc/13/05/05/175130505.db2.gz ZTTVWYWNZOSPIS-XQLPTFJDSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969401 175130506 /nfs/dbraw/zinc/13/05/06/175130506.db2.gz ZTTVWYWNZOSPIS-XQLPTFJDSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970510 175131052 /nfs/dbraw/zinc/13/10/52/175131052.db2.gz HANBAUOKUBUUNO-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976837 175132673 /nfs/dbraw/zinc/13/26/73/175132673.db2.gz AFLMEYJXFZQQJT-ZJIFWQFVSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976837 175132675 /nfs/dbraw/zinc/13/26/75/175132675.db2.gz AFLMEYJXFZQQJT-ZJIFWQFVSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977569 175133605 /nfs/dbraw/zinc/13/36/05/175133605.db2.gz UIZMBWFPYRQVCI-DIECFANBSA-N 2 1 282.472 2.900 10 0 CFAEMP CCOc1ccc([C@@H](Cn2cc[nH+]c2C)[NH2+]C)cc1 ZINC000043994476 175136236 /nfs/dbraw/zinc/13/62/36/175136236.db2.gz RLSZLSHDEMZTRF-OAHLLOKOSA-N 2 1 259.353 2.551 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OCC)cc1 ZINC000043994274 175136334 /nfs/dbraw/zinc/13/63/34/175136334.db2.gz QNENNTVZUUNNQN-INIZCTEOSA-N 2 1 273.380 2.941 10 0 CFAEMP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)n1cc[nH+]c1C ZINC000043994507 175136409 /nfs/dbraw/zinc/13/64/09/175136409.db2.gz UGPSOGOEXBCFNX-NHYWBVRUSA-N 2 1 259.353 2.722 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccccc1OC ZINC000043994183 175136507 /nfs/dbraw/zinc/13/65/07/175136507.db2.gz YNQRRHAGHOENGF-CQSZACIVSA-N 2 1 259.353 2.551 10 0 CFAEMP CCOc1ccccc1[C@H](Cn1cc[nH+]c1CC)[NH2+]C ZINC000044037397 175139764 /nfs/dbraw/zinc/13/97/64/175139764.db2.gz YHQTUNONLHYEMD-AWEZNQCLSA-N 2 1 273.380 2.805 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533191 175197245 /nfs/dbraw/zinc/19/72/45/175197245.db2.gz LGOLUYWNSPERKG-MRXNPFEDSA-N 2 1 287.451 2.718 10 0 CFAEMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533922 175197566 /nfs/dbraw/zinc/19/75/66/175197566.db2.gz QSWDLODFYLWFJR-NSHDSACASA-N 2 1 296.798 2.500 10 0 CFAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533922 175197568 /nfs/dbraw/zinc/19/75/68/175197568.db2.gz QSWDLODFYLWFJR-NSHDSACASA-N 2 1 296.798 2.500 10 0 CFAEMP COc1cccc(C2CC([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000044533503 175197741 /nfs/dbraw/zinc/19/77/41/175197741.db2.gz JPYMFHYSVGCWOR-ODIFPOPNSA-N 2 1 288.435 2.873 10 0 CFAEMP COc1ccc(C2CC([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000044533477 175197863 /nfs/dbraw/zinc/19/78/63/175197863.db2.gz AKRUMKYWVPZTBQ-OOHWJJMZSA-N 2 1 288.435 2.873 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540435 175200501 /nfs/dbraw/zinc/20/05/01/175200501.db2.gz JUJZZSUSBMOXTQ-CYBMUJFWSA-N 2 1 257.381 2.790 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540435 175200503 /nfs/dbraw/zinc/20/05/03/175200503.db2.gz JUJZZSUSBMOXTQ-CYBMUJFWSA-N 2 1 257.381 2.790 10 0 CFAEMP Cc1cc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@@H+](C(C)C)C3)on1 ZINC000044987412 175285140 /nfs/dbraw/zinc/28/51/40/175285140.db2.gz AKFJMKZKFKEDMF-MZBDJJRSSA-N 2 1 277.412 2.582 10 0 CFAEMP Cc1cc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)on1 ZINC000044987412 175285142 /nfs/dbraw/zinc/28/51/42/175285142.db2.gz AKFJMKZKFKEDMF-MZBDJJRSSA-N 2 1 277.412 2.582 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045171893 175321025 /nfs/dbraw/zinc/32/10/25/175321025.db2.gz AXMWLUSIDFOXQS-GVZPALNKSA-N 2 1 290.455 2.560 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368264 175362989 /nfs/dbraw/zinc/36/29/89/175362989.db2.gz ZWRIQBUJSLXTRS-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368264 175362990 /nfs/dbraw/zinc/36/29/90/175362990.db2.gz ZWRIQBUJSLXTRS-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372455 175364640 /nfs/dbraw/zinc/36/46/40/175364640.db2.gz HGKMJBCAKWPEBG-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381842 175369650 /nfs/dbraw/zinc/36/96/50/175369650.db2.gz AXRBEVIQWVLNKW-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381842 175369651 /nfs/dbraw/zinc/36/96/51/175369651.db2.gz AXRBEVIQWVLNKW-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCCC[C@@H]1CC ZINC000045384112 175370820 /nfs/dbraw/zinc/37/08/20/175370820.db2.gz VLERGGHMQMIMLI-HOCLYGCPSA-N 2 1 284.444 2.702 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCCC[C@@H]1CC ZINC000045384112 175370822 /nfs/dbraw/zinc/37/08/22/175370822.db2.gz VLERGGHMQMIMLI-HOCLYGCPSA-N 2 1 284.444 2.702 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CCC)C(C)C)C(=O)OC ZINC000045386036 175371695 /nfs/dbraw/zinc/37/16/95/175371695.db2.gz KSXOMIMIOXHMIW-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CCC)C(C)C)C(=O)OC ZINC000045386036 175371697 /nfs/dbraw/zinc/37/16/97/175371697.db2.gz KSXOMIMIOXHMIW-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045388024 175373584 /nfs/dbraw/zinc/37/35/84/175373584.db2.gz GNZLVILICTWHKN-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045388181 175374233 /nfs/dbraw/zinc/37/42/33/175374233.db2.gz AGBOWSFHPLPTGX-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045388181 175374234 /nfs/dbraw/zinc/37/42/34/175374234.db2.gz AGBOWSFHPLPTGX-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045391605 175374590 /nfs/dbraw/zinc/37/45/90/175374590.db2.gz GOEGSAOKXRZDII-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OCC ZINC000045391605 175374591 /nfs/dbraw/zinc/37/45/91/175374591.db2.gz GOEGSAOKXRZDII-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)C1CCCC1)[NH2+]C ZINC000045390478 175374830 /nfs/dbraw/zinc/37/48/30/175374830.db2.gz OVYAZAKOIIAQCD-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C1CCCC1)[NH2+]C ZINC000045390478 175374831 /nfs/dbraw/zinc/37/48/31/175374831.db2.gz OVYAZAKOIIAQCD-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267651 176100947 /nfs/dbraw/zinc/10/09/47/176100947.db2.gz REWMPSCYVRKYRR-JTQLQIEISA-N 2 1 251.349 2.588 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ncccc2C)C1 ZINC000071339615 176129902 /nfs/dbraw/zinc/12/99/02/176129902.db2.gz LYFIBLYHLNNCCS-CABCVRRESA-N 2 1 261.413 2.600 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ncccc2C)C1 ZINC000071339615 176129904 /nfs/dbraw/zinc/12/99/04/176129904.db2.gz LYFIBLYHLNNCCS-CABCVRRESA-N 2 1 261.413 2.600 10 0 CFAEMP COc1ccc(CC[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000076519264 177032223 /nfs/dbraw/zinc/03/22/23/177032223.db2.gz FBJRIFDIWHCMFN-MRXNPFEDSA-N 2 1 276.424 2.558 10 0 CFAEMP C[C@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247039143 281004758 /nfs/dbraw/zinc/00/47/58/281004758.db2.gz PTRQKFXQHJGDJE-KBPBESRZSA-N 2 1 288.526 2.641 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[C@H](C)O3)C2)[nH+]1 ZINC000249096056 281246059 /nfs/dbraw/zinc/24/60/59/281246059.db2.gz OQZYLXNSZOCPHC-HRCADAONSA-N 2 1 289.423 2.691 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[C@H](C)O3)C2)[nH+]1 ZINC000249096056 281246061 /nfs/dbraw/zinc/24/60/61/281246061.db2.gz OQZYLXNSZOCPHC-HRCADAONSA-N 2 1 289.423 2.691 10 0 CFAEMP CC(C)C[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052452381 519709188 /nfs/dbraw/zinc/70/91/88/519709188.db2.gz OCHSILCYHPLNFD-UHFFFAOYSA-N 2 1 255.431 2.729 10 0 CFAEMP CC(C)C[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052452381 519709189 /nfs/dbraw/zinc/70/91/89/519709189.db2.gz OCHSILCYHPLNFD-UHFFFAOYSA-N 2 1 255.431 2.729 10 0 CFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503427 519744247 /nfs/dbraw/zinc/74/42/47/519744247.db2.gz UCQOZYGZKZKAIT-MRXNPFEDSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503427 519744248 /nfs/dbraw/zinc/74/42/48/519744248.db2.gz UCQOZYGZKZKAIT-MRXNPFEDSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484699 519749349 /nfs/dbraw/zinc/74/93/49/519749349.db2.gz VVBMWLMSIYDILH-CYBMUJFWSA-N 2 1 250.386 2.867 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150116 519853574 /nfs/dbraw/zinc/85/35/74/519853574.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150116 519853575 /nfs/dbraw/zinc/85/35/75/519853575.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150116 519853576 /nfs/dbraw/zinc/85/35/76/519853576.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H](C)COC)CCCC1 ZINC000051251351 519909864 /nfs/dbraw/zinc/90/98/64/519909864.db2.gz PWRVTEJVSGQFHQ-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182300 519912615 /nfs/dbraw/zinc/91/26/15/519912615.db2.gz KDKMANXEMHCJND-CQSZACIVSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+]CCCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055074425 519911558 /nfs/dbraw/zinc/91/15/58/519911558.db2.gz NMPFIFCHRNPNLF-MRXNPFEDSA-N 2 1 269.477 2.572 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504558 519927756 /nfs/dbraw/zinc/92/77/56/519927756.db2.gz KBMLAGJKOFBEDO-SOUVJXGZSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572051 519938978 /nfs/dbraw/zinc/93/89/78/519938978.db2.gz YOPWFVSOWUGDCK-ARFHVFGLSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@H+]1CCC[C@@H]1C ZINC000052375840 520009398 /nfs/dbraw/zinc/00/93/98/520009398.db2.gz AHCBCYSOSNSMGC-AWEZNQCLSA-N 2 1 262.397 2.659 10 0 CFAEMP CCO[C@H]1CCC[N@@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052372076 520527669 /nfs/dbraw/zinc/52/76/69/520527669.db2.gz OAFCSLJEGKONOV-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[C@@](C)([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538844 520920416 /nfs/dbraw/zinc/92/04/16/520920416.db2.gz JYPIYYHITIUOSZ-TVQRCGJNSA-N 2 1 255.431 2.928 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953688 522084712 /nfs/dbraw/zinc/08/47/12/522084712.db2.gz BPBDLWUCGBFVIF-CQSZACIVSA-N 2 1 256.434 2.513 10 0 CFAEMP CC(C)(C)[NH2+]Cc1coc(C[NH+]2CCSCC2)c1 ZINC000052425669 518768887 /nfs/dbraw/zinc/76/88/87/518768887.db2.gz KKYGBPFNZIMSMS-UHFFFAOYSA-N 2 1 268.426 2.717 10 0 CFAEMP CC(C)C[N@@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052452665 519708996 /nfs/dbraw/zinc/70/89/96/519708996.db2.gz IJVOIOGKCAFUAD-UHFFFAOYSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[N@@H+](CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815887 519715396 /nfs/dbraw/zinc/71/53/96/519715396.db2.gz YZUZODINFBCMQA-UHFFFAOYSA-N 2 1 277.412 2.740 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382921 519724365 /nfs/dbraw/zinc/72/43/65/519724365.db2.gz ZZKYNWJLHACELZ-LBPRGKRZSA-N 2 1 252.427 2.740 10 0 CFAEMP CC(C)[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382921 519724367 /nfs/dbraw/zinc/72/43/67/519724367.db2.gz ZZKYNWJLHACELZ-LBPRGKRZSA-N 2 1 252.427 2.740 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180807 519742845 /nfs/dbraw/zinc/74/28/45/519742845.db2.gz VAGZCRPPCHKPMO-MRXNPFEDSA-N 2 1 282.472 2.761 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011828 519745961 /nfs/dbraw/zinc/74/59/61/519745961.db2.gz NCBLWPDCGQXWDD-MRXNPFEDSA-N 2 1 278.415 2.936 10 0 CFAEMP CCC[N@@H+]1CCc2nc(C[NH2+]CC(C)C)sc2C1 ZINC000061801471 519863672 /nfs/dbraw/zinc/86/36/72/519863672.db2.gz QRGMFSGAEFIGOE-UHFFFAOYSA-N 2 1 267.442 2.657 10 0 CFAEMP CCC[N@H+]1CCc2nc(C[NH2+]CC(C)C)sc2C1 ZINC000061801471 519863674 /nfs/dbraw/zinc/86/36/74/519863674.db2.gz QRGMFSGAEFIGOE-UHFFFAOYSA-N 2 1 267.442 2.657 10 0 CFAEMP CCCC1CC[NH+](CCCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000050905917 519901096 /nfs/dbraw/zinc/90/10/96/519901096.db2.gz VUKCHZVHNWWZOX-MRXNPFEDSA-N 2 1 284.444 2.559 10 0 CFAEMP CC[NH2+]C1CC[NH+]([C@H](C)CCc2ccco2)CC1 ZINC000049568569 519909038 /nfs/dbraw/zinc/90/90/38/519909038.db2.gz OWHDSSJLNQFRQD-CYBMUJFWSA-N 2 1 250.386 2.675 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)C(CC)CC)CCOCC1 ZINC000052181720 519909979 /nfs/dbraw/zinc/90/99/79/519909979.db2.gz NLSSBFMAKIPALM-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180406 519910800 /nfs/dbraw/zinc/91/08/00/519910800.db2.gz KAXCJOPWAWVULN-HNNXBMFYSA-N 2 1 268.445 2.657 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000052198197 519911514 /nfs/dbraw/zinc/91/15/14/519911514.db2.gz HYTXVGNMLCFPSQ-UHFFFAOYSA-N 2 1 294.414 2.664 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000052198197 519911518 /nfs/dbraw/zinc/91/15/18/519911518.db2.gz HYTXVGNMLCFPSQ-UHFFFAOYSA-N 2 1 294.414 2.664 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000052545428 519911632 /nfs/dbraw/zinc/91/16/32/519911632.db2.gz SKIMCHHWGJBTDL-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372974 519919358 /nfs/dbraw/zinc/91/93/58/519919358.db2.gz VFIPTVQXYZNLPU-AWEZNQCLSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012739 519922727 /nfs/dbraw/zinc/92/27/27/519922727.db2.gz WYMYNEBMLDEEOB-AWEZNQCLSA-N 2 1 250.361 2.647 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012739 519922730 /nfs/dbraw/zinc/92/27/30/519922730.db2.gz WYMYNEBMLDEEOB-AWEZNQCLSA-N 2 1 250.361 2.647 10 0 CFAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069239938 519929844 /nfs/dbraw/zinc/92/98/44/519929844.db2.gz KLPBPRRFPIMEEP-MRXNPFEDSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419169 519938184 /nfs/dbraw/zinc/93/81/84/519938184.db2.gz KIHUDLWGDSMGJP-QZTJIDSGSA-N 2 1 288.435 2.592 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)CC(C)C)O1 ZINC000052449894 519938699 /nfs/dbraw/zinc/93/86/99/519938699.db2.gz HLZXKNBODYIDHG-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]Cc1ccc(OCC[N@@H+](C)CCC)cc1 ZINC000052444509 519951832 /nfs/dbraw/zinc/95/18/32/519951832.db2.gz MHIZLYPJOGDQFM-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346399 519976927 /nfs/dbraw/zinc/97/69/27/519976927.db2.gz OYPKWQPALMRYFS-CVEARBPZSA-N 2 1 296.842 2.929 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346397 519979302 /nfs/dbraw/zinc/97/93/02/519979302.db2.gz OYPKWQPALMRYFS-HZPDHXFCSA-N 2 1 296.842 2.929 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](CC)C(C)C)cc1 ZINC000052446836 519999260 /nfs/dbraw/zinc/99/92/60/519999260.db2.gz GJNAJUKZTVHJJS-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCSC1 ZINC000052453328 520009014 /nfs/dbraw/zinc/00/90/14/520009014.db2.gz AVYHWVBJTUHOQL-OAHLLOKOSA-N 2 1 294.464 2.612 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000054555495 520123056 /nfs/dbraw/zinc/12/30/56/520123056.db2.gz RSBOZVFTAYGKIC-JONQDZQNSA-N 2 1 270.461 2.756 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000054555495 520123062 /nfs/dbraw/zinc/12/30/62/520123062.db2.gz RSBOZVFTAYGKIC-JONQDZQNSA-N 2 1 270.461 2.756 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000054555498 520218678 /nfs/dbraw/zinc/21/86/78/520218678.db2.gz RSBOZVFTAYGKIC-FZKCQIBNSA-N 2 1 270.461 2.756 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000054555498 520218687 /nfs/dbraw/zinc/21/86/87/520218687.db2.gz RSBOZVFTAYGKIC-FZKCQIBNSA-N 2 1 270.461 2.756 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052182573 520484485 /nfs/dbraw/zinc/48/44/85/520484485.db2.gz YYJBQDNKQBOPAE-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CC1CCC([N@@H+](C)Cc2csc(C[NH3+])n2)CC1 ZINC000052345405 520937258 /nfs/dbraw/zinc/93/72/58/520937258.db2.gz FOILXRCTVUFIOS-UHFFFAOYSA-N 2 1 253.415 2.612 10 0 CFAEMP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052510514 521269716 /nfs/dbraw/zinc/26/97/16/521269716.db2.gz JECGMYKFQPSLJG-CVEARBPZSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052510514 521269723 /nfs/dbraw/zinc/26/97/23/521269723.db2.gz JECGMYKFQPSLJG-CVEARBPZSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC(CC)(C[NH2+]C(C)(C)C)C[N@H+]1CCC[C@H]1CO ZINC000051254919 521440372 /nfs/dbraw/zinc/44/03/72/521440372.db2.gz ORATXHBXJREJFI-AWEZNQCLSA-N 2 1 270.461 2.638 10 0 CFAEMP CCC[N@H+](CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052448037 521614387 /nfs/dbraw/zinc/61/43/87/521614387.db2.gz JEIFKJYZFWNBSO-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CCC[N@@H+](CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052448037 521614392 /nfs/dbraw/zinc/61/43/92/521614392.db2.gz JEIFKJYZFWNBSO-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183519 521968942 /nfs/dbraw/zinc/96/89/42/521968942.db2.gz TUXPRPCFXKXYEG-LSDHHAIUSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182649 521969394 /nfs/dbraw/zinc/96/93/94/521969394.db2.gz OJSJRZPRWRIOLD-HUUCEWRRSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]CC[C@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000052517026 522018962 /nfs/dbraw/zinc/01/89/62/522018962.db2.gz UZUWDVBGZZLVRV-VIFPVBQESA-N 2 1 291.258 2.940 10 0 CFAEMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052517026 522018966 /nfs/dbraw/zinc/01/89/66/522018966.db2.gz UZUWDVBGZZLVRV-VIFPVBQESA-N 2 1 291.258 2.940 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+](CC(C)C)C2CC2)c(C)o1 ZINC000052515922 522102926 /nfs/dbraw/zinc/10/29/26/522102926.db2.gz BHAFIKNVFQEYEE-UHFFFAOYSA-N 2 1 250.386 2.928 10 0 CFAEMP CC[C@H]([NH3+])Cc1ccccc1OCCn1cc[nH+]c1C ZINC000049331383 522335276 /nfs/dbraw/zinc/33/52/76/522335276.db2.gz TXSXZDSFZJOTBA-HNNXBMFYSA-N 2 1 273.380 2.550 10 0 CFAEMP CC[C@@H](C[NH2+]C(C)C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416944 522544653 /nfs/dbraw/zinc/54/46/53/522544653.db2.gz ZRYZTXNTYLAOAJ-ZWKOTPCHSA-N 2 1 289.467 2.752 10 0 CFAEMP CCc1[nH+]ccn1Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052592901 522586997 /nfs/dbraw/zinc/58/69/97/522586997.db2.gz KQIJFKCZOZEPGI-UHFFFAOYSA-N 2 1 278.425 2.838 10 0 CFAEMP COC1CC[NH+]([C@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052455059 522707576 /nfs/dbraw/zinc/70/75/76/522707576.db2.gz CERJVWNXAZURFE-CQSZACIVSA-N 2 1 256.434 2.510 10 0 CFAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)[C@@H]1CCSC1 ZINC000052453531 522730354 /nfs/dbraw/zinc/73/03/54/522730354.db2.gz IYLBVTJIFPXBSQ-CYBMUJFWSA-N 2 1 258.475 2.982 10 0 CFAEMP CC[C@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052181831 523089538 /nfs/dbraw/zinc/08/95/38/523089538.db2.gz RVFXWDWBLGNTKC-HNNXBMFYSA-N 2 1 280.456 2.657 10 0 CFAEMP COCC[N@@H+](CCC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000050953600 523695304 /nfs/dbraw/zinc/69/53/04/523695304.db2.gz DYTVPYQRNUXMRA-OAHLLOKOSA-N 2 1 256.434 2.513 10 0 CFAEMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000050371666 523980378 /nfs/dbraw/zinc/98/03/78/523980378.db2.gz FIIUOOBTYSBNGU-HOTGVXAUSA-N 2 1 266.429 2.574 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563648 524231459 /nfs/dbraw/zinc/23/14/59/524231459.db2.gz RQHRUUYXOXXXNY-ZIAGYGMSSA-N 2 1 262.397 2.645 10 0 CFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)[C@@H]1C ZINC000050565060 524234091 /nfs/dbraw/zinc/23/40/91/524234091.db2.gz OGXPODCQSWTYHK-GHMZBOCLSA-N 2 1 263.360 2.730 10 0 CFAEMP COc1ccccc1C[N@H+](C)[C@H](C)CC[NH2+]C(C)C ZINC000052542316 524437292 /nfs/dbraw/zinc/43/72/92/524437292.db2.gz RHHLRVBQHGQZNA-CQSZACIVSA-N 2 1 264.413 2.904 10 0 CFAEMP COc1ccccc1C[N@@H+](C)[C@H](C)CC[NH2+]C(C)C ZINC000052542316 524437301 /nfs/dbraw/zinc/43/73/01/524437301.db2.gz RHHLRVBQHGQZNA-CQSZACIVSA-N 2 1 264.413 2.904 10 0 CFAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419888 524457791 /nfs/dbraw/zinc/45/77/91/524457791.db2.gz XPSYQMNQDNKWAC-AWEZNQCLSA-N 2 1 269.477 2.569 10 0 CFAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000049554085 524477094 /nfs/dbraw/zinc/47/70/94/524477094.db2.gz RJCPCCUUBIQREI-HNNXBMFYSA-N 2 1 275.440 2.717 10 0 CFAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)CCc1ccncc1 ZINC000052483064 524732357 /nfs/dbraw/zinc/73/23/57/524732357.db2.gz SNTOALVKHIHNOC-AWEZNQCLSA-N 2 1 263.429 2.580 10 0 CFAEMP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049147240 524928599 /nfs/dbraw/zinc/92/85/99/524928599.db2.gz FGERNSDYMMBRHQ-YXWQFLTLSA-N 2 1 262.397 2.721 10 0 CFAEMP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049156022 524939287 /nfs/dbraw/zinc/93/92/87/524939287.db2.gz DTUVGODIKOGNJM-KCQAQPDRSA-N 2 1 266.454 2.999 10 0 CFAEMP C[C@@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380747 524941534 /nfs/dbraw/zinc/94/15/34/524941534.db2.gz XRYWXYKXQFCXKX-OKILXGFUSA-N 2 1 256.434 2.654 10 0 CFAEMP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000052274878 524963426 /nfs/dbraw/zinc/96/34/26/524963426.db2.gz GEWWIYWLEGQRIO-WMLDXEAASA-N 2 1 258.409 2.692 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000049577409 525443058 /nfs/dbraw/zinc/44/30/58/525443058.db2.gz DRQVBMIZXDLIMW-AAEUAGOBSA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000049577409 525443060 /nfs/dbraw/zinc/44/30/60/525443060.db2.gz DRQVBMIZXDLIMW-AAEUAGOBSA-N 2 1 268.351 2.785 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000151313856 525922833 /nfs/dbraw/zinc/92/28/33/525922833.db2.gz SNUYLYJWZRHEJF-DLBZAZTESA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000151313726 525925968 /nfs/dbraw/zinc/92/59/68/525925968.db2.gz SNUYLYJWZRHEJF-IRXDYDNUSA-N 2 1 290.451 2.801 10 0 CFAEMP Cc1oc(C[N@@H+](C)Cc2cccs2)cc1C[NH3+] ZINC000052456200 526769926 /nfs/dbraw/zinc/76/99/26/526769926.db2.gz JQEHOKPFNDEKMT-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1oc(C[N@H+](C)Cc2cccs2)cc1C[NH3+] ZINC000052456200 526769930 /nfs/dbraw/zinc/76/99/30/526769930.db2.gz JQEHOKPFNDEKMT-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)Cc1ccsc1 ZINC000052457282 526770019 /nfs/dbraw/zinc/77/00/19/526770019.db2.gz XAVVRZAKTDVVDG-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@@H+](C)Cc1ccsc1 ZINC000052457282 526770027 /nfs/dbraw/zinc/77/00/27/526770027.db2.gz XAVVRZAKTDVVDG-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP [NH3+]Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061702142 527257710 /nfs/dbraw/zinc/25/77/10/527257710.db2.gz POOUNTKKFBBTNS-SFHVURJKSA-N 2 1 282.387 2.799 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+]CCSc1ccccc1 ZINC000049330232 527431543 /nfs/dbraw/zinc/43/15/43/527431543.db2.gz GNYVLXFXVFBUGR-UHFFFAOYSA-N 2 1 261.394 2.573 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000049331395 527433616 /nfs/dbraw/zinc/43/36/16/527433616.db2.gz NCXLOWARXMTXEX-LLVKDONJSA-N 2 1 293.798 2.814 10 0 CFAEMP Cc1[nH+]ccn1Cc1ccccc1C[NH2+]CC(C)C ZINC000052576259 527448518 /nfs/dbraw/zinc/44/85/18/527448518.db2.gz CNJXMYXAMBAACU-UHFFFAOYSA-N 2 1 257.381 2.985 10 0 CFAEMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697414 618285598 /nfs/dbraw/zinc/28/55/98/618285598.db2.gz CAEUMVPNBPGADH-BZSNNMDCSA-N 2 1 288.435 2.574 10 0 CFAEMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261772125 618426759 /nfs/dbraw/zinc/42/67/59/618426759.db2.gz DSWLINRWIQFNBT-IAGOWNOFSA-N 2 1 287.451 2.587 10 0 CFAEMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261998014 619361887 /nfs/dbraw/zinc/36/18/87/619361887.db2.gz TTYWOMHDXAOVJY-YOEHRIQHSA-N 2 1 276.399 2.789 10 0 CFAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000171746648 623241468 /nfs/dbraw/zinc/24/14/68/623241468.db2.gz ZRVNPDXGFWGOMI-ZDUSSCGKSA-N 2 1 265.477 2.960 10 0 CFAEMP Clc1ccc2c(NC[C@@H]3CC[NH2+]C3)cc[nH+]c2c1 ZINC000133840111 646239912 /nfs/dbraw/zinc/23/99/12/646239912.db2.gz DUPWPWQTMILLJQ-SNVBAGLBSA-N 2 1 261.756 2.910 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963623 647141794 /nfs/dbraw/zinc/14/17/94/647141794.db2.gz YIEUUPZFUBZRPT-UAGQMJEPSA-N 2 1 256.393 2.649 10 0 CFAEMP Cc1csc([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063139 293054433 /nfs/dbraw/zinc/05/44/33/293054433.db2.gz RINGHDUCTXKUTL-UKRRQHHQSA-N 2 1 279.453 2.631 10 0 CFAEMP C[NH+](C)CCC[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504836 178069154 /nfs/dbraw/zinc/06/91/54/178069154.db2.gz SICAOWRDWGALSW-AWEZNQCLSA-N 2 1 262.397 2.830 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818846 179348054 /nfs/dbraw/zinc/34/80/54/179348054.db2.gz ISCGWZFNQUXEEV-HIFRSBDPSA-N 2 1 292.423 2.839 10 0 CFAEMP CC[N@H+]1CCC[C@@H](NCC[NH+](C(C)C)C(C)C)CC1 ZINC000086834821 179349568 /nfs/dbraw/zinc/34/95/68/179349568.db2.gz PBDCUZVBSURDJZ-MRXNPFEDSA-N 2 1 269.477 2.569 10 0 CFAEMP C[NH+](C)Cc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818512 179346558 /nfs/dbraw/zinc/34/65/58/179346558.db2.gz NATSZTDQJMRFEM-OAHLLOKOSA-N 2 1 261.413 2.644 10 0 CFAEMP C[N@@H+](CCCN[C@H]1CCC[NH+](C)CC1)C1CCCCC1 ZINC000086818801 179346848 /nfs/dbraw/zinc/34/68/48/179346848.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 2 1 281.488 2.715 10 0 CFAEMP C[NH+](CCCN[C@H]1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000086818801 179346849 /nfs/dbraw/zinc/34/68/49/179346849.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 2 1 281.488 2.715 10 0 CFAEMP C[NH+](CCCN[C@H]1CCC[N@@H+](C)CC1)C1CCCCC1 ZINC000086818801 179346851 /nfs/dbraw/zinc/34/68/51/179346851.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 2 1 281.488 2.715 10 0 CFAEMP C[N@H+](CCC[NH2+][C@H]1CCC[NH+](C)CC1)C1CCCCC1 ZINC000086818801 179346854 /nfs/dbraw/zinc/34/68/54/179346854.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 3 1 281.488 2.715 10 0 CFAEMP C[N@@H+](CCC[NH2+][C@H]1CCC[NH+](C)CC1)C1CCCCC1 ZINC000086818801 179346855 /nfs/dbraw/zinc/34/68/55/179346855.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 3 1 281.488 2.715 10 0 CFAEMP C[NH+](CCC[NH2+][C@H]1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000086818801 179346857 /nfs/dbraw/zinc/34/68/57/179346857.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 3 1 281.488 2.715 10 0 CFAEMP C[NH+](CCC[NH2+][C@H]1CCC[N@@H+](C)CC1)C1CCCCC1 ZINC000086818801 179346860 /nfs/dbraw/zinc/34/68/60/179346860.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 3 1 281.488 2.715 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848385 179356002 /nfs/dbraw/zinc/35/60/02/179356002.db2.gz VDWNXSZMJSGGGL-KRWDZBQOSA-N 2 1 293.430 2.854 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086848607 179356596 /nfs/dbraw/zinc/35/65/96/179356596.db2.gz UMRRDMDLLDSNRY-SFHVURJKSA-N 2 1 293.499 2.846 10 0 CFAEMP CCCCCN(C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846886 179356844 /nfs/dbraw/zinc/35/68/44/179356844.db2.gz QNRSAWIDPLLISY-INIZCTEOSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000086836127 179350710 /nfs/dbraw/zinc/35/07/10/179350710.db2.gz CIOLMBIAGHOVJQ-HOCLYGCPSA-N 2 1 261.413 2.997 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355700 /nfs/dbraw/zinc/35/57/00/179355700.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 1 281.488 2.558 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355701 /nfs/dbraw/zinc/35/57/01/179355701.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 1 281.488 2.558 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355702 /nfs/dbraw/zinc/35/57/02/179355702.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 1 281.488 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355704 /nfs/dbraw/zinc/35/57/04/179355704.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 1 281.488 2.558 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355705 /nfs/dbraw/zinc/35/57/05/179355705.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 1 281.488 2.558 10 0 CFAEMP C[C@H]1CC2(CC[NH+](CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000584631613 348696176 /nfs/dbraw/zinc/69/61/76/348696176.db2.gz DBFNBLOPCODDKF-GJZGRUSLSA-N 2 1 268.445 2.608 10 0 CFAEMP Cc1[nH+]ccn1-c1ncccc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089144832 179722125 /nfs/dbraw/zinc/72/21/25/179722125.db2.gz KIRCHOVUZDCUMU-UONOGXRCSA-N 2 1 285.395 2.505 10 0 CFAEMP [NH3+]CCCOCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000630534383 355105564 /nfs/dbraw/zinc/10/55/64/355105564.db2.gz KIHPOBDDPOCLID-UHFFFAOYSA-N 2 1 279.771 2.666 10 0 CFAEMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839401 355601379 /nfs/dbraw/zinc/60/13/79/355601379.db2.gz FYZGVJOFWDHPDY-WZRBSPASSA-N 2 1 284.350 2.876 10 0 CFAEMP Cc1cc(C)cc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670101 540238501 /nfs/dbraw/zinc/23/85/01/540238501.db2.gz YRFGQIYDOBBWBP-INIZCTEOSA-N 2 1 276.424 2.756 10 0 CFAEMP C[N@H+](Cc1ccccc1)CC(C)(C)NC[C@@H]1CCC[NH+]1C ZINC000379680148 540676715 /nfs/dbraw/zinc/67/67/15/540676715.db2.gz LDJQLRCVDJDTIR-KRWDZBQOSA-N 2 1 289.467 2.581 10 0 CFAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@@H]1CCC[NH+]1C ZINC000379680148 540676717 /nfs/dbraw/zinc/67/67/17/540676717.db2.gz LDJQLRCVDJDTIR-KRWDZBQOSA-N 2 1 289.467 2.581 10 0 CFAEMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@@H]1CCC[N@@H+]1C ZINC000379680148 540676721 /nfs/dbraw/zinc/67/67/21/540676721.db2.gz LDJQLRCVDJDTIR-KRWDZBQOSA-N 2 1 289.467 2.581 10 0 CFAEMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@@H]1CCC[N@H+]1C ZINC000379680148 540676723 /nfs/dbraw/zinc/67/67/23/540676723.db2.gz LDJQLRCVDJDTIR-KRWDZBQOSA-N 2 1 289.467 2.581 10 0 CFAEMP Clc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958001 189157564 /nfs/dbraw/zinc/15/75/64/189157564.db2.gz YNDBHDMJPOEXBK-INIZCTEOSA-N 2 1 294.826 2.713 10 0 CFAEMP Cc1cccc2c(NC[C@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000301691584 201142239 /nfs/dbraw/zinc/14/22/39/201142239.db2.gz WRPBRPKTQZNOKQ-HNNXBMFYSA-N 2 1 297.402 2.818 10 0 CFAEMP Cc1cccc2c(NC[C@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000301691584 201142244 /nfs/dbraw/zinc/14/22/44/201142244.db2.gz WRPBRPKTQZNOKQ-HNNXBMFYSA-N 2 1 297.402 2.818 10 0 CFAEMP CCCc1cc(NC[C@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000301806893 201210439 /nfs/dbraw/zinc/21/04/39/201210439.db2.gz VUUMJBFLVQOZQG-HNNXBMFYSA-N 2 1 299.418 2.930 10 0 CFAEMP CCCc1cc(NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000301806893 201210443 /nfs/dbraw/zinc/21/04/43/201210443.db2.gz VUUMJBFLVQOZQG-HNNXBMFYSA-N 2 1 299.418 2.930 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000400349983 380855967 /nfs/dbraw/zinc/85/59/67/380855967.db2.gz JQQBVZHETQJOLH-VWYCJHECSA-N 2 1 254.324 2.613 10 0 CFAEMP COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000382275779 382529211 /nfs/dbraw/zinc/52/92/11/382529211.db2.gz FYZQZQSNUMFJON-DVOMOZLQSA-N 2 1 262.397 2.673 10 0 CFAEMP C[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379659313 382507112 /nfs/dbraw/zinc/50/71/12/382507112.db2.gz ZOJNPJBXKHVXQQ-RDJZCZTQSA-N 2 1 292.467 2.894 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768426 382516485 /nfs/dbraw/zinc/51/64/85/382516485.db2.gz RDSDYFNRWQGTFM-DAXOMENPSA-N 2 1 294.826 2.778 10 0 CFAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000195258937 382765260 /nfs/dbraw/zinc/76/52/60/382765260.db2.gz OVVNUNKTUZVGDR-MASHWEEQSA-N 2 1 299.871 2.958 10 0 CFAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195258937 382765262 /nfs/dbraw/zinc/76/52/62/382765262.db2.gz OVVNUNKTUZVGDR-MASHWEEQSA-N 2 1 299.871 2.958 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247107159 383144461 /nfs/dbraw/zinc/14/44/61/383144461.db2.gz OXXYMFINKVDGOI-BFYDXBDKSA-N 2 1 276.424 2.664 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247107159 383144467 /nfs/dbraw/zinc/14/44/67/383144467.db2.gz OXXYMFINKVDGOI-BFYDXBDKSA-N 2 1 276.424 2.664 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558883 383511421 /nfs/dbraw/zinc/51/14/21/383511421.db2.gz SVUXSUCBVSGIQW-IACUBPJLSA-N 2 1 250.411 2.534 10 0 CFAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261899460 383576460 /nfs/dbraw/zinc/57/64/60/383576460.db2.gz HNBCASNBLCJVTD-DDBAPUKQSA-N 2 1 288.435 2.537 10 0 CFAEMP CCc1csc([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961732 383586984 /nfs/dbraw/zinc/58/69/84/383586984.db2.gz HJJJVDPGBCSJPS-BBRMVZONSA-N 2 1 293.480 2.885 10 0 CFAEMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261999815 383592314 /nfs/dbraw/zinc/59/23/14/383592314.db2.gz UKJYGVIJUGOHNG-SFFUCWETSA-N 2 1 294.483 2.950 10 0 CFAEMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC000262047214 383600010 /nfs/dbraw/zinc/60/00/10/383600010.db2.gz ZFGXTFGUFXGWSY-LMMHAMTPSA-N 2 1 292.467 2.702 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@@H]12 ZINC000262098272 383605397 /nfs/dbraw/zinc/60/53/97/383605397.db2.gz IIKRESXXQFIFFA-ZKYQVNSYSA-N 2 1 298.789 2.527 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@@H]12 ZINC000262098272 383605399 /nfs/dbraw/zinc/60/53/99/383605399.db2.gz IIKRESXXQFIFFA-ZKYQVNSYSA-N 2 1 298.789 2.527 10 0 CFAEMP C[C@]1(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]C1 ZINC000261752883 383554262 /nfs/dbraw/zinc/55/42/62/383554262.db2.gz KBJTZJMYFBBETP-CVEARBPZSA-N 2 1 294.826 2.793 10 0 CFAEMP CC(C)N(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261753445 383554523 /nfs/dbraw/zinc/55/45/23/383554523.db2.gz CHRHKKQBHRZLLF-MRXNPFEDSA-N 2 1 290.455 2.500 10 0 CFAEMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261753445 383554527 /nfs/dbraw/zinc/55/45/27/383554527.db2.gz CHRHKKQBHRZLLF-MRXNPFEDSA-N 2 1 290.455 2.500 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]12 ZINC000261780937 383559538 /nfs/dbraw/zinc/55/95/38/383559538.db2.gz WXYNBPPDCXTXKF-CWRNSKLLSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]12 ZINC000261780937 383559543 /nfs/dbraw/zinc/55/95/43/383559543.db2.gz WXYNBPPDCXTXKF-CWRNSKLLSA-N 2 1 283.375 2.511 10 0 CFAEMP COCC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1C ZINC000185641049 393535782 /nfs/dbraw/zinc/53/57/82/393535782.db2.gz NFVQMWRNPRSEFO-OAHLLOKOSA-N 2 1 299.418 2.700 10 0 CFAEMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038041301 393537572 /nfs/dbraw/zinc/53/75/72/393537572.db2.gz RVGDQEHCHWTOIR-AWEZNQCLSA-N 2 1 262.397 2.943 10 0 CFAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381668280 393565539 /nfs/dbraw/zinc/56/55/39/393565539.db2.gz KSQHKVXLXOIRKJ-STQMWFEESA-N 2 1 260.372 2.743 10 0 CFAEMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000085636469 393751839 /nfs/dbraw/zinc/75/18/39/393751839.db2.gz URIUAHNGIPOXAD-RIUYPTKQSA-N 2 1 294.483 2.900 10 0 CFAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000231459246 393781214 /nfs/dbraw/zinc/78/12/14/393781214.db2.gz NCTBCRACCVXLDA-HNNXBMFYSA-N 2 1 262.397 2.578 10 0 CFAEMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261577991 287151338 /nfs/dbraw/zinc/15/13/38/287151338.db2.gz OQNHWILUXTUOOM-SMDDNHRTSA-N 2 1 250.361 2.946 10 0 CFAEMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261577991 287151340 /nfs/dbraw/zinc/15/13/40/287151340.db2.gz OQNHWILUXTUOOM-SMDDNHRTSA-N 2 1 250.361 2.946 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000020261767 171118710 /nfs/dbraw/zinc/11/87/10/171118710.db2.gz GISDSJVXMVTNGQ-GXTWGEPZSA-N 2 1 257.337 2.640 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661428 172339870 /nfs/dbraw/zinc/33/98/70/172339870.db2.gz IIGYOLHRAVYWSA-ZIAGYGMSSA-N 2 1 250.386 2.532 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220962 173039837 /nfs/dbraw/zinc/03/98/37/173039837.db2.gz AHVRXJYOBKLSMB-FRFSOERESA-N 2 1 258.409 2.994 10 0 CFAEMP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221930 173042518 /nfs/dbraw/zinc/04/25/18/173042518.db2.gz NVFKUCIVSKYEOY-TZMCWYRMSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037236825 173054578 /nfs/dbraw/zinc/05/45/78/173054578.db2.gz AEBAOPHPFHLDQX-LBPRGKRZSA-N 2 1 267.442 2.975 10 0 CFAEMP CC(C)=CC[NH+]1CCC([NH2+]CCCOC(C)C)CC1 ZINC000037239731 173056696 /nfs/dbraw/zinc/05/66/96/173056696.db2.gz UDFDYLFZLAPOKI-UHFFFAOYSA-N 2 1 268.445 2.822 10 0 CFAEMP CCc1ccc(C[N@H+](CC)C2CC[NH2+]CC2)s1 ZINC000037538068 173257580 /nfs/dbraw/zinc/25/75/80/173257580.db2.gz JQONGPSQYOXSEG-UHFFFAOYSA-N 2 1 252.427 2.884 10 0 CFAEMP Cc1cc[nH+]c(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656609839 414616485 /nfs/dbraw/zinc/61/64/85/414616485.db2.gz XXWBCCMELCONKN-HNNXBMFYSA-N 2 1 259.397 2.606 10 0 CFAEMP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622576 174355741 /nfs/dbraw/zinc/35/57/41/174355741.db2.gz ZILSVIPOLSUWPY-DLBZAZTESA-N 3 1 295.515 2.817 10 0 CFAEMP CCC[N@H+](C1CCN(C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747621 174392511 /nfs/dbraw/zinc/39/25/11/174392511.db2.gz PNRDCTLELUBGLU-BYICEURKSA-N 3 1 293.499 2.854 10 0 CFAEMP CCC[N@@H+](C1CCN(C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747621 174392513 /nfs/dbraw/zinc/39/25/13/174392513.db2.gz PNRDCTLELUBGLU-BYICEURKSA-N 3 1 293.499 2.854 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2n1 ZINC000040750364 174394943 /nfs/dbraw/zinc/39/49/43/174394943.db2.gz HLLSPGVTJHXWCL-VHRNVKJDSA-N 2 1 267.376 2.689 10 0 CFAEMP COc1ccccc1[C@H](C[NH3+])n1cc[nH+]c1C(C)C ZINC000043098741 174966626 /nfs/dbraw/zinc/96/66/26/174966626.db2.gz KZGCUIUTUOAJMC-ZDUSSCGKSA-N 2 1 259.353 2.563 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1ccccn1)n1cc[nH+]c1C(C)C ZINC000043341418 175015188 /nfs/dbraw/zinc/01/51/88/175015188.db2.gz CFMXMSZKRZNGIA-JSGCOSHPSA-N 2 1 258.369 2.728 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000043592055 175074349 /nfs/dbraw/zinc/07/43/49/175074349.db2.gz LAQZJNHURXBEEV-HOTGVXAUSA-N 2 1 268.445 2.657 10 0 CFAEMP C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000043818138 175112776 /nfs/dbraw/zinc/11/27/76/175112776.db2.gz IUQCLWATYRSMIW-ZWKOTPCHSA-N 2 1 289.467 2.609 10 0 CFAEMP C[NH2+][C@H](C)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819746 175114176 /nfs/dbraw/zinc/11/41/76/175114176.db2.gz QEYJBGYHEUGLIH-CABCVRRESA-N 2 1 260.425 2.938 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[NH+]1CCC(OC)CC1 ZINC000043890257 175118216 /nfs/dbraw/zinc/11/82/16/175118216.db2.gz XQFZJKDROXUDBG-HUUCEWRRSA-N 2 1 256.434 2.654 10 0 CFAEMP CCOC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043906961 175122763 /nfs/dbraw/zinc/12/27/63/175122763.db2.gz CVIAFCJEKKAIAA-CWRNSKLLSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970385 175130976 /nfs/dbraw/zinc/13/09/76/175130976.db2.gz XTJWGIHLKCTCJS-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](CCOC)C2CC2)c1 ZINC000043969842 175131216 /nfs/dbraw/zinc/13/12/16/175131216.db2.gz MERAMWLFEAAATC-CYBMUJFWSA-N 2 1 292.423 2.586 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)CC(C)C ZINC000043970297 175131314 /nfs/dbraw/zinc/13/13/14/175131314.db2.gz IYHFQMGJUNLXIC-CABCVRRESA-N 2 1 258.450 2.758 10 0 CFAEMP CC[NH2+][C@@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977687 175133466 /nfs/dbraw/zinc/13/34/66/175133466.db2.gz QVOZJTKXGCWUAF-YDHLFZDLSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977687 175133467 /nfs/dbraw/zinc/13/34/67/175133467.db2.gz QVOZJTKXGCWUAF-YDHLFZDLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977480 175133478 /nfs/dbraw/zinc/13/34/78/175133478.db2.gz RUGBGVFORSTBTC-BPUTZDHNSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977720 175133538 /nfs/dbraw/zinc/13/35/38/175133538.db2.gz OYNYBYIIZVYJJK-BPUTZDHNSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](CCOC)C(CC)CC ZINC000043977108 175133577 /nfs/dbraw/zinc/13/35/77/175133577.db2.gz AQKCBRQFRMSFGI-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977308 175133705 /nfs/dbraw/zinc/13/37/05/175133705.db2.gz JKSFEXOPONDUED-KGLIPLIRSA-N 2 1 258.450 2.900 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981295 175134229 /nfs/dbraw/zinc/13/42/29/175134229.db2.gz GCWRBMCBPNWNHX-AJNGGQMLSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981295 175134230 /nfs/dbraw/zinc/13/42/30/175134230.db2.gz GCWRBMCBPNWNHX-AJNGGQMLSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccccc1OC ZINC000043994181 175136340 /nfs/dbraw/zinc/13/63/40/175136340.db2.gz YNQRRHAGHOENGF-AWEZNQCLSA-N 2 1 259.353 2.551 10 0 CFAEMP C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1n1cc[nH+]c1C ZINC000043994047 175136642 /nfs/dbraw/zinc/13/66/42/175136642.db2.gz WHOLJHGIYPCNNQ-HZPDHXFCSA-N 2 1 271.364 2.648 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(Cn2cc[nH+]c2C)c1 ZINC000043993860 175136665 /nfs/dbraw/zinc/13/66/65/175136665.db2.gz AYDAAJWMOHOKOG-LBPRGKRZSA-N 2 1 273.380 2.919 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(Cn2cc[nH+]c2C)c1 ZINC000043994085 175136745 /nfs/dbraw/zinc/13/67/45/175136745.db2.gz WXZIFHGVPZQUNK-LLVKDONJSA-N 2 1 259.353 2.529 10 0 CFAEMP CC[NH2+][C@H]1c2ccccc2C[C@H]1n1cc[nH+]c1CC ZINC000044036886 175139840 /nfs/dbraw/zinc/13/98/40/175139840.db2.gz NMIUILZDQMINBP-ZBFHGGJFSA-N 2 1 255.365 2.894 10 0 CFAEMP COCC[C@](C)(C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000045043565 175295784 /nfs/dbraw/zinc/29/57/84/175295784.db2.gz OIUPGXYJSKMRDW-CQSZACIVSA-N 2 1 270.442 2.712 10 0 CFAEMP COCC[C@](C)(C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000045043565 175295786 /nfs/dbraw/zinc/29/57/86/175295786.db2.gz OIUPGXYJSKMRDW-CQSZACIVSA-N 2 1 270.442 2.712 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000045171150 175321250 /nfs/dbraw/zinc/32/12/50/175321250.db2.gz DQGSCCIHJBYGFE-LBPRGKRZSA-N 2 1 290.455 2.797 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045370435 175364382 /nfs/dbraw/zinc/36/43/82/175364382.db2.gz DQDYCBLDWNYNLL-HNNXBMFYSA-N 2 1 272.433 2.559 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[NH+](CCC)CCC)C(=O)OC ZINC000045378622 175367414 /nfs/dbraw/zinc/36/74/14/175367414.db2.gz QVQSIBBMLNNLSX-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379572 175368236 /nfs/dbraw/zinc/36/82/36/175368236.db2.gz JNKPSXFCAHLJOH-IJEWVQPXSA-N 2 1 284.444 2.700 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379572 175368237 /nfs/dbraw/zinc/36/82/37/175368237.db2.gz JNKPSXFCAHLJOH-IJEWVQPXSA-N 2 1 284.444 2.700 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379143 175368457 /nfs/dbraw/zinc/36/84/57/175368457.db2.gz PQIXPRKZUIMAPH-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379143 175368458 /nfs/dbraw/zinc/36/84/58/175368458.db2.gz PQIXPRKZUIMAPH-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379574 175368583 /nfs/dbraw/zinc/36/85/83/175368583.db2.gz JNKPSXFCAHLJOH-LZWOXQAQSA-N 2 1 284.444 2.700 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379574 175368585 /nfs/dbraw/zinc/36/85/85/175368585.db2.gz JNKPSXFCAHLJOH-LZWOXQAQSA-N 2 1 284.444 2.700 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045381827 175369818 /nfs/dbraw/zinc/36/98/18/175369818.db2.gz UORQOZMJDBZNLV-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045381827 175369820 /nfs/dbraw/zinc/36/98/20/175369820.db2.gz UORQOZMJDBZNLV-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383679 175371082 /nfs/dbraw/zinc/37/10/82/175371082.db2.gz SZHIVPKEJNDQOF-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383679 175371083 /nfs/dbraw/zinc/37/10/83/175371083.db2.gz SZHIVPKEJNDQOF-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385302 175372343 /nfs/dbraw/zinc/37/23/43/175372343.db2.gz KHZPWDSWCLWTHI-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385302 175372344 /nfs/dbraw/zinc/37/23/44/175372344.db2.gz KHZPWDSWCLWTHI-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386572 175373015 /nfs/dbraw/zinc/37/30/15/175373015.db2.gz KVZMRHKAXVCQLP-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386572 175373016 /nfs/dbraw/zinc/37/30/16/175373016.db2.gz KVZMRHKAXVCQLP-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045386949 175373351 /nfs/dbraw/zinc/37/33/51/175373351.db2.gz HZVRMNSEQZKXCV-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045386949 175373352 /nfs/dbraw/zinc/37/33/52/175373352.db2.gz HZVRMNSEQZKXCV-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C1CC1)C(=O)OC ZINC000045387618 175373695 /nfs/dbraw/zinc/37/36/95/175373695.db2.gz AVFVJCYDRUSLDB-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OC ZINC000045387618 175373697 /nfs/dbraw/zinc/37/36/97/175373697.db2.gz AVFVJCYDRUSLDB-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045387934 175374092 /nfs/dbraw/zinc/37/40/92/175374092.db2.gz WAMFVJXNEATHKO-HNNXBMFYSA-N 2 1 272.433 2.559 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390641 175374332 /nfs/dbraw/zinc/37/43/32/175374332.db2.gz JBHDJQMSTAICCH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390641 175374334 /nfs/dbraw/zinc/37/43/34/175374334.db2.gz JBHDJQMSTAICCH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C1CCCC1)[NH2+]C ZINC000045390602 175374505 /nfs/dbraw/zinc/37/45/05/175374505.db2.gz XTEHJRNWHNUCMV-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CCCC1)[NH2+]C ZINC000045390602 175374506 /nfs/dbraw/zinc/37/45/06/175374506.db2.gz XTEHJRNWHNUCMV-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045392898 175375633 /nfs/dbraw/zinc/37/56/33/175375633.db2.gz TZNKZSYYDNOCPP-YOEHRIQHSA-N 2 1 298.471 2.817 10 0 CFAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045392898 175375634 /nfs/dbraw/zinc/37/56/34/175375634.db2.gz TZNKZSYYDNOCPP-YOEHRIQHSA-N 2 1 298.471 2.817 10 0 CFAEMP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045420987 175380046 /nfs/dbraw/zinc/38/00/46/175380046.db2.gz SVVXQTNPQVCLHS-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045420987 175380048 /nfs/dbraw/zinc/38/00/48/175380048.db2.gz SVVXQTNPQVCLHS-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP C[NH2+]C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000071148209 176044015 /nfs/dbraw/zinc/04/40/15/176044015.db2.gz ZJWDEHRODOWMDR-LLVKDONJSA-N 2 1 275.783 2.934 10 0 CFAEMP CC[NH+](CC)c1ccc(-n2cccc2CC[NH3+])cc1 ZINC000071582853 176207914 /nfs/dbraw/zinc/20/79/14/176207914.db2.gz SCJMNUUMUGYILO-UHFFFAOYSA-N 2 1 257.381 2.825 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515305 177031093 /nfs/dbraw/zinc/03/10/93/177031093.db2.gz BYEDBVNPLNRCQB-KBPBESRZSA-N 2 1 262.397 2.688 10 0 CFAEMP Cc1cccc2nc(C3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288160 177249191 /nfs/dbraw/zinc/24/91/91/177249191.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 2 1 298.434 2.660 10 0 CFAEMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852093 276097673 /nfs/dbraw/zinc/09/76/73/276097673.db2.gz NSRXTBNVKXLEBH-HNNXBMFYSA-N 2 1 262.397 2.701 10 0 CFAEMP C[C@H]1CCC[C@](C[NH2+]CC2CCOCC2)([NH+](C)C)C1 ZINC000052172308 278355089 /nfs/dbraw/zinc/35/50/89/278355089.db2.gz NQZMYPXBMFHVIM-HOCLYGCPSA-N 2 1 268.445 2.513 10 0 CFAEMP Cc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000248757994 281169783 /nfs/dbraw/zinc/16/97/83/281169783.db2.gz WSHUDNNVFCUREQ-AWEZNQCLSA-N 2 1 267.376 2.828 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)[nH+]1 ZINC000249806337 281246893 /nfs/dbraw/zinc/24/68/93/281246893.db2.gz BIVRZMIAHQQNAO-HZPDHXFCSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)[nH+]1 ZINC000249806337 281246894 /nfs/dbraw/zinc/24/68/94/281246894.db2.gz BIVRZMIAHQQNAO-HZPDHXFCSA-N 2 1 289.423 2.693 10 0 CFAEMP CC[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850532 324066313 /nfs/dbraw/zinc/06/63/13/324066313.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 1 261.413 2.634 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420857 519725790 /nfs/dbraw/zinc/72/57/90/519725790.db2.gz ZDQYRPWFABBDKE-QXSJWSMHSA-N 2 1 268.445 2.510 10 0 CFAEMP CCCC1CC[NH+](CCCC[C@](C)([NH3+])C(=O)OCC)CC1 ZINC000050905919 519900978 /nfs/dbraw/zinc/90/09/78/519900978.db2.gz AFVVGUSSIPQHHS-KRWDZBQOSA-N 2 1 298.471 2.949 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011839 519922943 /nfs/dbraw/zinc/92/29/43/519922943.db2.gz VUBNPSMKBIPINX-HNNXBMFYSA-N 2 1 264.388 2.690 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCCSCC2)oc1C ZINC000052371035 519987776 /nfs/dbraw/zinc/98/77/76/519987776.db2.gz UPJFNMDGTCEUQB-UHFFFAOYSA-N 2 1 268.426 2.636 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](CC)CCOC ZINC000054555477 520121411 /nfs/dbraw/zinc/12/14/11/520121411.db2.gz HYFDNLQSRZRQKE-OAGGEKHMSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](CC)CCOC ZINC000054555477 520121418 /nfs/dbraw/zinc/12/14/18/520121418.db2.gz HYFDNLQSRZRQKE-OAGGEKHMSA-N 2 1 270.461 2.758 10 0 CFAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000062740921 520306484 /nfs/dbraw/zinc/30/64/84/520306484.db2.gz UPFDHDQXDWKOOZ-HZPDHXFCSA-N 2 1 262.397 2.577 10 0 CFAEMP CCCCOCC[N@@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264141 520760998 /nfs/dbraw/zinc/76/09/98/520760998.db2.gz LARCKMHURVBHDW-XYPWUTKMSA-N 2 1 268.445 2.798 10 0 CFAEMP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCSCC2)o1 ZINC000052425550 518764296 /nfs/dbraw/zinc/76/42/96/518764296.db2.gz FLZLTLUSFOITAR-UHFFFAOYSA-N 2 1 268.426 2.717 10 0 CFAEMP CC(C)C[C@@H]1C[N@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062670312 519270546 /nfs/dbraw/zinc/27/05/46/519270546.db2.gz OSURVPYVSKEDFG-MRXNPFEDSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)C[C@@H]1C[N@@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062670312 519270554 /nfs/dbraw/zinc/27/05/54/519270554.db2.gz OSURVPYVSKEDFG-MRXNPFEDSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N ZINC000049333192 519642738 /nfs/dbraw/zinc/64/27/38/519642738.db2.gz ULIQOKJRQRLWOP-UHFFFAOYSA-N 2 1 275.440 2.965 10 0 CFAEMP CC(C)[NH2+]C[C@@H](OCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000052672815 519723272 /nfs/dbraw/zinc/72/32/72/519723272.db2.gz LPVWBHGSRYAFSY-LSDHHAIUSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456364 519723789 /nfs/dbraw/zinc/72/37/89/519723789.db2.gz QHCUJABKXFTQGB-UONOGXRCSA-N 2 1 282.453 2.726 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@H+]2CCC[C@H]2C)cs1 ZINC000052375500 519729083 /nfs/dbraw/zinc/72/90/83/519729083.db2.gz IQLOQVCFCRRTSY-LLVKDONJSA-N 2 1 253.415 2.625 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@@H+]2CCC[C@H]2C)cs1 ZINC000052375500 519729081 /nfs/dbraw/zinc/72/90/81/519729081.db2.gz IQLOQVCFCRRTSY-LLVKDONJSA-N 2 1 253.415 2.625 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382672 519747219 /nfs/dbraw/zinc/74/72/19/519747219.db2.gz GQMMKUIIRJHIEA-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382672 519747220 /nfs/dbraw/zinc/74/72/20/519747220.db2.gz GQMMKUIIRJHIEA-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475784 519747458 /nfs/dbraw/zinc/74/74/58/519747458.db2.gz YITRBNYNFOXVIV-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475784 519747459 /nfs/dbraw/zinc/74/74/59/519747459.db2.gz YITRBNYNFOXVIV-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382796 519747735 /nfs/dbraw/zinc/74/77/35/519747735.db2.gz JOSXQLSLLCHIHS-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382796 519747736 /nfs/dbraw/zinc/74/77/36/519747736.db2.gz JOSXQLSLLCHIHS-HNNXBMFYSA-N 2 1 276.424 2.653 10 0 CFAEMP CCC1CCC([N@@H+](C)Cc2cc(C[NH3+])no2)CC1 ZINC000052345592 519853105 /nfs/dbraw/zinc/85/31/05/519853105.db2.gz GJRLLZPPWXZVRL-UHFFFAOYSA-N 2 1 251.374 2.534 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)CC2CC2)CCOCC1 ZINC000069262679 519910090 /nfs/dbraw/zinc/91/00/90/519910090.db2.gz YJBZTAGPIVOOGR-UHFFFAOYSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420855 519923917 /nfs/dbraw/zinc/92/39/17/519923917.db2.gz RHOLBUAXNHWQNS-FZKCQIBNSA-N 2 1 268.445 2.512 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCC(C)CC2)O1 ZINC000052345451 519954506 /nfs/dbraw/zinc/95/45/06/519954506.db2.gz FFTJRPYKSYDJON-SSHXOBKSSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+](C)C(C)C ZINC000052419587 519955834 /nfs/dbraw/zinc/95/58/34/519955834.db2.gz YBCSOZYUTZRQFM-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453277 519973598 /nfs/dbraw/zinc/97/35/98/519973598.db2.gz LZEWIPSCFZXFFT-CYBMUJFWSA-N 2 1 268.426 2.717 10 0 CFAEMP CCCCC[N@@H+](CC1(C[NH2+]C)CCOCC1)C(C)C ZINC000052183277 520161357 /nfs/dbraw/zinc/16/13/57/520161357.db2.gz KERSMJZMYYHQAB-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[N@@H+](C)CCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052446122 520240441 /nfs/dbraw/zinc/24/04/41/520240441.db2.gz KISXHGXDBYMXGA-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCC1 ZINC000052181634 520938036 /nfs/dbraw/zinc/93/80/36/520938036.db2.gz FFEUXFNFQURPGQ-UHFFFAOYSA-N 2 1 280.456 2.800 10 0 CFAEMP CCC(CC)(C[NH3+])C[N@H+]1CCc2sccc2C1 ZINC000051210731 521425779 /nfs/dbraw/zinc/42/57/79/521425779.db2.gz SCFVPAYHFIXRFB-UHFFFAOYSA-N 2 1 252.427 2.871 10 0 CFAEMP CCN1CCC([N@@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544037 521566908 /nfs/dbraw/zinc/56/69/08/521566908.db2.gz WODFQLHBCNDGDZ-OAHLLOKOSA-N 2 1 269.477 2.569 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544037 521566913 /nfs/dbraw/zinc/56/69/13/521566913.db2.gz WODFQLHBCNDGDZ-OAHLLOKOSA-N 3 1 269.477 2.569 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544037 521566918 /nfs/dbraw/zinc/56/69/18/521566918.db2.gz WODFQLHBCNDGDZ-OAHLLOKOSA-N 3 1 269.477 2.569 10 0 CFAEMP CCN1CCC([N@@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544036 521567122 /nfs/dbraw/zinc/56/71/22/521567122.db2.gz WODFQLHBCNDGDZ-HNNXBMFYSA-N 2 1 269.477 2.569 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544036 521567128 /nfs/dbraw/zinc/56/71/28/521567128.db2.gz WODFQLHBCNDGDZ-HNNXBMFYSA-N 3 1 269.477 2.569 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544036 521567133 /nfs/dbraw/zinc/56/71/33/521567133.db2.gz WODFQLHBCNDGDZ-HNNXBMFYSA-N 3 1 269.477 2.569 10 0 CFAEMP CCC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181424 521618433 /nfs/dbraw/zinc/61/84/33/521618433.db2.gz GMNZADPFWGVGJD-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP CCC[N@@H+](CC1CC1)CC1(C[NH2+]CC)CCOCC1 ZINC000052182655 521624296 /nfs/dbraw/zinc/62/42/96/521624296.db2.gz NFHSCZYHHVGEEV-UHFFFAOYSA-N 2 1 268.445 2.515 10 0 CFAEMP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2Cl)C1 ZINC000310356454 521626175 /nfs/dbraw/zinc/62/61/75/521626175.db2.gz IJGWQAPWYGYQEE-LLVKDONJSA-N 2 1 253.777 2.940 10 0 CFAEMP CCCn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227522760 521656527 /nfs/dbraw/zinc/65/65/27/521656527.db2.gz GEVJHRJHEBXWPU-CVEARBPZSA-N 2 1 261.413 2.615 10 0 CFAEMP CCCn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227522760 521656530 /nfs/dbraw/zinc/65/65/30/521656530.db2.gz GEVJHRJHEBXWPU-CVEARBPZSA-N 2 1 261.413 2.615 10 0 CFAEMP CCC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(CC)CC1 ZINC000050539265 521692319 /nfs/dbraw/zinc/69/23/19/521692319.db2.gz LQEXKQVTJCQRSS-UHFFFAOYSA-N 2 1 292.471 2.930 10 0 CFAEMP CCC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(CC)CC1 ZINC000050539265 521692322 /nfs/dbraw/zinc/69/23/22/521692322.db2.gz LQEXKQVTJCQRSS-UHFFFAOYSA-N 2 1 292.471 2.930 10 0 CFAEMP CC[C@H](C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538770 521842704 /nfs/dbraw/zinc/84/27/04/521842704.db2.gz WIOJEKBHOWOJOR-AUTRQRHGSA-N 2 1 255.431 2.784 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](Cc2ccccc2)C(C)C)O1 ZINC000052417209 522093742 /nfs/dbraw/zinc/09/37/42/522093742.db2.gz FEGWTICMUPQSNF-SJORKVTESA-N 2 1 276.424 2.664 10 0 CFAEMP C[NH2+]Cc1cccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420697 522133250 /nfs/dbraw/zinc/13/32/50/522133250.db2.gz QKKLWUHSLFGXBJ-GASCZTMLSA-N 2 1 276.424 2.763 10 0 CFAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000052378789 522139814 /nfs/dbraw/zinc/13/98/14/522139814.db2.gz UPLBFDFQTHHQAW-CQSZACIVSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cs1 ZINC000052546475 522151310 /nfs/dbraw/zinc/15/13/10/522151310.db2.gz AJWYWNFHXNWSLE-YPMHNXCESA-N 2 1 267.442 2.873 10 0 CFAEMP CC[C@H]([NH3+])c1ccccc1OCCn1cc[nH+]c1C ZINC000049329364 522349814 /nfs/dbraw/zinc/34/98/14/522349814.db2.gz WWJLVWAQPNRJQO-AWEZNQCLSA-N 2 1 259.353 2.680 10 0 CFAEMP C[NH2+][C@H](C)c1ccccc1OCCn1cc[nH+]c1C ZINC000049329474 522451294 /nfs/dbraw/zinc/45/12/94/522451294.db2.gz RVSKJMCLAHNQBV-GFCCVEGCSA-N 2 1 259.353 2.551 10 0 CFAEMP C[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCCC1 ZINC000052181027 522591408 /nfs/dbraw/zinc/59/14/08/522591408.db2.gz GDNGVCGURULBRD-UHFFFAOYSA-N 2 1 280.456 2.800 10 0 CFAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)CCc1ccncc1 ZINC000052483024 522735090 /nfs/dbraw/zinc/73/50/90/522735090.db2.gz UOBGBBWTCUMBPY-UHFFFAOYSA-N 2 1 263.429 2.724 10 0 CFAEMP C[N@@H+](Cc1c(C[NH3+])oc2ccccc21)[C@H]1CCSC1 ZINC000052453254 523150772 /nfs/dbraw/zinc/15/07/72/523150772.db2.gz SHCHNBXFQOBHFH-NSHDSACASA-N 2 1 276.405 2.829 10 0 CFAEMP C[N@@H+](Cc1ccccc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180954 523342599 /nfs/dbraw/zinc/34/25/99/523342599.db2.gz OIHLUCQTHHBUQP-UHFFFAOYSA-N 2 1 288.435 2.667 10 0 CFAEMP C[N@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231668769 523388295 /nfs/dbraw/zinc/38/82/95/523388295.db2.gz APTDVSJQBALPJE-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP C[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231668769 523388305 /nfs/dbraw/zinc/38/83/05/523388305.db2.gz APTDVSJQBALPJE-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP CC[C@](C)(C[NH2+]C(C)C)CN1CCC(C[NH+](C)C)CC1 ZINC000051252202 523463194 /nfs/dbraw/zinc/46/31/94/523463194.db2.gz XIVNMEDWORSULC-QGZVFWFLSA-N 2 1 283.504 2.674 10 0 CFAEMP COCC[N@@H+](C[C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545315 523732993 /nfs/dbraw/zinc/73/29/93/523732993.db2.gz SMKQNHPLCYPHKI-CABCVRRESA-N 2 1 270.461 2.615 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052454129 523867276 /nfs/dbraw/zinc/86/72/76/523867276.db2.gz HZFOQQOWXMIXFL-AWEZNQCLSA-N 2 1 264.413 2.763 10 0 CFAEMP COCC[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000215502455 523939641 /nfs/dbraw/zinc/93/96/41/523939641.db2.gz ALGFWGKTGTXTOJ-UHFFFAOYSA-N 2 1 279.771 2.536 10 0 CFAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000049577202 524030733 /nfs/dbraw/zinc/03/07/33/524030733.db2.gz ZAAZILGAKUNSLA-YHWZYXNKSA-N 2 1 266.335 2.680 10 0 CFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000049577202 524030734 /nfs/dbraw/zinc/03/07/34/524030734.db2.gz ZAAZILGAKUNSLA-YHWZYXNKSA-N 2 1 266.335 2.680 10 0 CFAEMP C[C@H]1CCC[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052381348 524091971 /nfs/dbraw/zinc/09/19/71/524091971.db2.gz QPDQUSBMFYQNMA-LBPRGKRZSA-N 2 1 265.401 2.795 10 0 CFAEMP C[C@@H]([N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1)C(C)(C)C ZINC000052182310 524981472 /nfs/dbraw/zinc/98/14/72/524981472.db2.gz WKFURBIMMDSIMK-CQSZACIVSA-N 2 1 282.472 2.902 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000051016713 525441904 /nfs/dbraw/zinc/44/19/04/525441904.db2.gz SCTMWUSFYFVPIG-WCQYABFASA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000051016713 525441911 /nfs/dbraw/zinc/44/19/11/525441911.db2.gz SCTMWUSFYFVPIG-WCQYABFASA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000049577408 525524546 /nfs/dbraw/zinc/52/45/46/525524546.db2.gz DRQVBMIZXDLIMW-DGCLKSJQSA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000049577408 525524552 /nfs/dbraw/zinc/52/45/52/525524552.db2.gz DRQVBMIZXDLIMW-DGCLKSJQSA-N 2 1 268.351 2.785 10 0 CFAEMP Cc1occc1C[N@@H+](C)C[C@H](C)C[NH2+]CC(C)C ZINC000052346499 526824366 /nfs/dbraw/zinc/82/43/66/526824366.db2.gz YWSQTAFMZHKRFS-CYBMUJFWSA-N 2 1 252.402 2.902 10 0 CFAEMP Cc1occc1C[N@H+](C)C[C@H](C)C[NH2+]CC(C)C ZINC000052346499 526824370 /nfs/dbraw/zinc/82/43/70/526824370.db2.gz YWSQTAFMZHKRFS-CYBMUJFWSA-N 2 1 252.402 2.902 10 0 CFAEMP [NH3+]CCC[N@@H+](C1CCOCC1)C1CCCCCC1 ZINC000069289727 527178168 /nfs/dbraw/zinc/17/81/68/527178168.db2.gz VRYBVHUIPPWYMK-UHFFFAOYSA-N 2 1 254.418 2.539 10 0 CFAEMP NNc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718561 527273699 /nfs/dbraw/zinc/27/36/99/527273699.db2.gz GBNRKLQHHALGOH-KGLIPLIRSA-N 2 1 260.385 2.522 10 0 CFAEMP NNc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718565 527274074 /nfs/dbraw/zinc/27/40/74/527274074.db2.gz GBNRKLQHHALGOH-KBPBESRZSA-N 2 1 260.385 2.522 10 0 CFAEMP [NH3+][C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1c1ccccc1 ZINC000328332430 527375839 /nfs/dbraw/zinc/37/58/39/527375839.db2.gz HZVIQBDVPGFYCB-GXTWGEPZSA-N 2 1 273.767 2.666 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]12 ZINC000261560296 618105130 /nfs/dbraw/zinc/10/51/30/618105130.db2.gz FFWOHQWIVPFNMH-DUFXMDAXSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]12 ZINC000261560296 618105132 /nfs/dbraw/zinc/10/51/32/618105132.db2.gz FFWOHQWIVPFNMH-DUFXMDAXSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]12 ZINC000261560299 619171516 /nfs/dbraw/zinc/17/15/16/619171516.db2.gz FFWOHQWIVPFNMH-MRCXROJRSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]12 ZINC000261560299 619171517 /nfs/dbraw/zinc/17/15/17/619171517.db2.gz FFWOHQWIVPFNMH-MRCXROJRSA-N 2 1 268.763 2.648 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261601489 619175182 /nfs/dbraw/zinc/17/51/82/619175182.db2.gz QBWAFKWNOPTOHB-ZFVXVEAMSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261601489 619175186 /nfs/dbraw/zinc/17/51/86/619175186.db2.gz QBWAFKWNOPTOHB-ZFVXVEAMSA-N 2 1 266.335 2.695 10 0 CFAEMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261943226 619337401 /nfs/dbraw/zinc/33/74/01/619337401.db2.gz NDVXTLBLDFBQEO-BMFZPTHFSA-N 2 1 294.826 2.587 10 0 CFAEMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998009 619361939 /nfs/dbraw/zinc/36/19/39/619361939.db2.gz TTYWOMHDXAOVJY-PBHICJAKSA-N 2 1 276.399 2.789 10 0 CFAEMP C[N@@H+](Cc1cncc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231465379 623348940 /nfs/dbraw/zinc/34/89/40/623348940.db2.gz PIJNAUSZDCRDSA-MRXNPFEDSA-N 2 1 269.392 2.809 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252513048 651010489 /nfs/dbraw/zinc/01/04/89/651010489.db2.gz JAGKGTOCCVFDRN-FXUDXRNXSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252513048 651010491 /nfs/dbraw/zinc/01/04/91/651010491.db2.gz JAGKGTOCCVFDRN-FXUDXRNXSA-N 2 1 280.456 2.654 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000130253426 645476484 /nfs/dbraw/zinc/47/64/84/645476484.db2.gz ATRXUAJYLJASHW-UHFFFAOYSA-N 2 1 265.788 2.703 10 0 CFAEMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC000082729005 178246024 /nfs/dbraw/zinc/24/60/24/178246024.db2.gz ZARRIMINPMVMKJ-IAGOWNOFSA-N 2 1 258.409 2.877 10 0 CFAEMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038877502 346339627 /nfs/dbraw/zinc/33/96/27/346339627.db2.gz KAXQIIGCHQPXCF-ZWKOTPCHSA-N 2 1 266.388 2.861 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086817572 179346059 /nfs/dbraw/zinc/34/60/59/179346059.db2.gz DXGVOERDBDRIPF-ZIAGYGMSSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817572 179346061 /nfs/dbraw/zinc/34/60/61/179346061.db2.gz DXGVOERDBDRIPF-ZIAGYGMSSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817802 179346076 /nfs/dbraw/zinc/34/60/76/179346076.db2.gz SSQOIHSVMALZMJ-OAHLLOKOSA-N 2 1 291.439 2.653 10 0 CFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818708 179346528 /nfs/dbraw/zinc/34/65/28/179346528.db2.gz IEFIPSHAECDESE-RDJZCZTQSA-N 2 1 260.425 3.000 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC000086818634 179346748 /nfs/dbraw/zinc/34/67/48/179346748.db2.gz CYCIRGFMGFTKAD-OLZOCXBDSA-N 2 1 250.361 2.961 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818634 179346750 /nfs/dbraw/zinc/34/67/50/179346750.db2.gz CYCIRGFMGFTKAD-OLZOCXBDSA-N 2 1 250.361 2.961 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000086839176 179351113 /nfs/dbraw/zinc/35/11/13/179351113.db2.gz MOCZATAJDZXGJZ-GOEBONIOSA-N 2 1 274.408 2.974 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000086839176 179351114 /nfs/dbraw/zinc/35/11/14/179351114.db2.gz MOCZATAJDZXGJZ-GOEBONIOSA-N 2 1 274.408 2.974 10 0 CFAEMP CC[N@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836915 179351233 /nfs/dbraw/zinc/35/12/33/179351233.db2.gz QBWPZBSLHZUUIB-IRXDYDNUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCN(Cc1ccccc1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846666 179355318 /nfs/dbraw/zinc/35/53/18/179355318.db2.gz FKCVISWPMUSBRU-GOSISDBHSA-N 2 1 289.467 2.712 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868550 179360856 /nfs/dbraw/zinc/36/08/56/179360856.db2.gz WQAUMWYZYIXJLE-QGZVFWFLSA-N 2 1 298.471 2.916 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358281 /nfs/dbraw/zinc/35/82/81/179358281.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 2 1 287.451 2.891 10 0 CFAEMP CCC[NH+]1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358283 /nfs/dbraw/zinc/35/82/83/179358283.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 2 1 287.451 2.891 10 0 CFAEMP CCC[NH+]1CCC[C@H]([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358284 /nfs/dbraw/zinc/35/82/84/179358284.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 2 1 287.451 2.891 10 0 CFAEMP C[NH2+]CCC1CC[NH+]([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086851244 179359129 /nfs/dbraw/zinc/35/91/29/179359129.db2.gz SZAAVRWXZYWDJD-KRWDZBQOSA-N 3 1 281.488 2.571 10 0 CFAEMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc2nnccc21 ZINC000616624833 352388695 /nfs/dbraw/zinc/38/86/95/352388695.db2.gz RYAZFFNOUFPMLB-MRXNPFEDSA-N 2 1 270.380 2.506 10 0 CFAEMP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc2nnccc21 ZINC000616624833 352388698 /nfs/dbraw/zinc/38/86/98/352388698.db2.gz RYAZFFNOUFPMLB-MRXNPFEDSA-N 2 1 270.380 2.506 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842349 355603921 /nfs/dbraw/zinc/60/39/21/355603921.db2.gz ZCCNNTRUXVKFJE-GUYCJALGSA-N 2 1 254.377 2.866 10 0 CFAEMP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000151964739 540401572 /nfs/dbraw/zinc/40/15/72/540401572.db2.gz UPHKCONDABZNKD-CQSZACIVSA-N 2 1 289.354 2.695 10 0 CFAEMP c1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCC[C@H]2C1 ZINC000252440950 540428157 /nfs/dbraw/zinc/42/81/57/540428157.db2.gz KAOAJAUUFWBVCU-ZDUSSCGKSA-N 2 1 253.349 2.519 10 0 CFAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335642766 291190466 /nfs/dbraw/zinc/19/04/66/291190466.db2.gz IJBWPIKRHGVARL-YYJSSNLHSA-N 2 1 264.335 2.838 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000178295883 189104177 /nfs/dbraw/zinc/10/41/77/189104177.db2.gz HEYAFFOLYHHRHJ-AWEZNQCLSA-N 2 1 290.798 2.905 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000178295883 189104178 /nfs/dbraw/zinc/10/41/78/189104178.db2.gz HEYAFFOLYHHRHJ-AWEZNQCLSA-N 2 1 290.798 2.905 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000180532871 189261024 /nfs/dbraw/zinc/26/10/24/189261024.db2.gz FYISUHLQUUFBBB-OAHLLOKOSA-N 2 1 270.380 2.560 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncccc1C ZINC000180532871 189261025 /nfs/dbraw/zinc/26/10/25/189261025.db2.gz FYISUHLQUUFBBB-OAHLLOKOSA-N 2 1 270.380 2.560 10 0 CFAEMP Cc1cccc2c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000301691585 201142071 /nfs/dbraw/zinc/14/20/71/201142071.db2.gz WRPBRPKTQZNOKQ-OAHLLOKOSA-N 2 1 297.402 2.818 10 0 CFAEMP Cc1cccc2c(NC[C@@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000301691585 201142074 /nfs/dbraw/zinc/14/20/74/201142074.db2.gz WRPBRPKTQZNOKQ-OAHLLOKOSA-N 2 1 297.402 2.818 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400420784 296151151 /nfs/dbraw/zinc/15/11/51/296151151.db2.gz WUVVIUMKWJTHOX-GRYCIOLGSA-N 2 1 252.789 2.989 10 0 CFAEMP CC1CCC(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000089576358 374924608 /nfs/dbraw/zinc/92/46/08/374924608.db2.gz VGKOJESADWIYNR-YMAMQOFZSA-N 2 1 250.430 2.887 10 0 CFAEMP CC(C)[NH2+][C@@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095088339 375409728 /nfs/dbraw/zinc/40/97/28/375409728.db2.gz VUNPAHLTIXBIGB-MSOLQXFVSA-N 2 1 290.451 2.648 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000175339846 380047376 /nfs/dbraw/zinc/04/73/76/380047376.db2.gz QLMWISYUBYYPIQ-OAHLLOKOSA-N 2 1 291.439 2.623 10 0 CFAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000175339846 380047384 /nfs/dbraw/zinc/04/73/84/380047384.db2.gz QLMWISYUBYYPIQ-OAHLLOKOSA-N 2 1 291.439 2.623 10 0 CFAEMP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420786 380858750 /nfs/dbraw/zinc/85/87/50/380858750.db2.gz WUVVIUMKWJTHOX-IJLUTSLNSA-N 2 1 252.789 2.989 10 0 CFAEMP CC[N@@H+](CCO)CCNc1ccnc2ccc(Cl)cc21 ZINC000302213467 382213953 /nfs/dbraw/zinc/21/39/53/382213953.db2.gz FRODXAHTNPZFHW-UHFFFAOYSA-N 2 1 293.798 2.614 10 0 CFAEMP CC[N@@H+](CCO)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000302213467 382213974 /nfs/dbraw/zinc/21/39/74/382213974.db2.gz FRODXAHTNPZFHW-UHFFFAOYSA-N 2 1 293.798 2.614 10 0 CFAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]12CC[NH2+]C[C@H]2C ZINC000306159938 382454093 /nfs/dbraw/zinc/45/40/93/382454093.db2.gz SAXVOWYQSQSZGA-BFYDXBDKSA-N 2 1 258.409 2.897 10 0 CFAEMP CCC[NH2+][C@@](C)(CO)CCCC[N@@H+](CC)CCC ZINC000085239848 184608556 /nfs/dbraw/zinc/60/85/56/184608556.db2.gz IBQFBMLYUFQEQC-OAHLLOKOSA-N 2 1 258.450 2.639 10 0 CFAEMP Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231454670 382864734 /nfs/dbraw/zinc/86/47/34/382864734.db2.gz SINGGHCMDVCZIZ-AWEZNQCLSA-N 2 1 250.361 2.708 10 0 CFAEMP Cc1ccc(F)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231454670 382864735 /nfs/dbraw/zinc/86/47/35/382864735.db2.gz SINGGHCMDVCZIZ-AWEZNQCLSA-N 2 1 250.361 2.708 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698511 383545353 /nfs/dbraw/zinc/54/53/53/383545353.db2.gz NXNDCWJPJZLIFQ-HZUKXOBISA-N 2 1 285.366 2.543 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000261736866 383549850 /nfs/dbraw/zinc/54/98/50/383549850.db2.gz LRNYVLXFLNVAFC-FPMFFAJLSA-N 2 1 284.325 2.875 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000261736866 383549854 /nfs/dbraw/zinc/54/98/54/383549854.db2.gz LRNYVLXFLNVAFC-FPMFFAJLSA-N 2 1 284.325 2.875 10 0 CFAEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261556985 383511159 /nfs/dbraw/zinc/51/11/59/383511159.db2.gz CLCAIFJXJGVFHW-GUTXKFCHSA-N 2 1 264.800 2.818 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573522 383515997 /nfs/dbraw/zinc/51/59/97/383515997.db2.gz ASRAULRCPRCDBD-IXDOHACOSA-N 2 1 256.393 2.733 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@@H]12 ZINC000261578231 383517575 /nfs/dbraw/zinc/51/75/75/383517575.db2.gz LPHDQCLFNCIYDQ-GGZOMVNGSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@@H]12 ZINC000261578231 383517582 /nfs/dbraw/zinc/51/75/82/383517582.db2.gz LPHDQCLFNCIYDQ-GGZOMVNGSA-N 2 1 256.802 2.571 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261579409 383518977 /nfs/dbraw/zinc/51/89/77/383518977.db2.gz DUPUPBJMRPMZRX-USXIJHARSA-N 2 1 258.409 2.781 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587135 383520373 /nfs/dbraw/zinc/52/03/73/383520373.db2.gz JGQBVUVZNKZMQW-NWANDNLSSA-N 2 1 256.349 2.602 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]12 ZINC000261585625 383521352 /nfs/dbraw/zinc/52/13/52/383521352.db2.gz TYECUIZXRZMLNE-LJWDBELGSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]12 ZINC000261585625 383521356 /nfs/dbraw/zinc/52/13/56/383521356.db2.gz TYECUIZXRZMLNE-LJWDBELGSA-N 2 1 268.763 2.648 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612406 383528047 /nfs/dbraw/zinc/52/80/47/383528047.db2.gz SPNHRUBWWPWLQC-UAGQMJEPSA-N 2 1 258.409 2.781 10 0 CFAEMP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000261964451 383587042 /nfs/dbraw/zinc/58/70/42/383587042.db2.gz PXQUKXWKFNHONC-XHSDSOJGSA-N 2 1 280.456 2.704 10 0 CFAEMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261999813 383592511 /nfs/dbraw/zinc/59/25/11/383592511.db2.gz UKJYGVIJUGOHNG-DUQPFJRNSA-N 2 1 294.483 2.950 10 0 CFAEMP Cc1cccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038268 383598292 /nfs/dbraw/zinc/59/82/92/383598292.db2.gz XYUKRGVUQBYGQQ-RDJZCZTQSA-N 2 1 258.409 2.784 10 0 CFAEMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780840 383559739 /nfs/dbraw/zinc/55/97/39/383559739.db2.gz PLGKNVGOAVMOOB-BHYGNILZSA-N 2 1 274.408 2.643 10 0 CFAEMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261807169 383564936 /nfs/dbraw/zinc/56/49/36/383564936.db2.gz RXAKZAGJXXICSM-RCBQFDQVSA-N 2 1 270.376 2.910 10 0 CFAEMP Cc1nccc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000271841912 385394365 /nfs/dbraw/zinc/39/43/65/385394365.db2.gz QKWQEKWUHOKZRG-ZDUSSCGKSA-N 2 1 270.380 2.717 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000045171437 393570194 /nfs/dbraw/zinc/57/01/94/393570194.db2.gz IBMUHBJZCRLPCM-IUODEOHRSA-N 2 1 290.455 2.655 10 0 CFAEMP CC[NH+](CC)c1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083545995 135029016 /nfs/dbraw/zinc/02/90/16/135029016.db2.gz BYIFAEXCMGARRE-QGZVFWFLSA-N 2 1 275.440 2.967 10 0 CFAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000399043381 397560955 /nfs/dbraw/zinc/56/09/55/397560955.db2.gz SMKGFYHNPVIHMR-INIZCTEOSA-N 2 1 280.456 2.536 10 0 CFAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC2CCC2)cc1 ZINC000399702427 397563448 /nfs/dbraw/zinc/56/34/48/397563448.db2.gz KCYVDGDUMWTQME-JWTNVVGKSA-N 2 1 270.420 2.897 10 0 CFAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC2CCC2)cc1 ZINC000399702427 397563455 /nfs/dbraw/zinc/56/34/55/397563455.db2.gz KCYVDGDUMWTQME-JWTNVVGKSA-N 2 1 270.420 2.897 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)Nc1ccc(N)c[nH+]1 ZINC000020383143 171173372 /nfs/dbraw/zinc/17/33/72/171173372.db2.gz WHJKYHFNOOMXDG-LBPRGKRZSA-N 2 1 250.390 2.586 10 0 CFAEMP Cc1ccc(C[N@H+](C)[C@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699119 172366820 /nfs/dbraw/zinc/36/68/20/172366820.db2.gz DTNZYGZWXXJESD-HIFRSBDPSA-N 2 1 250.386 2.927 10 0 CFAEMP C[N@@H+](Cc1cccs1)Cc1cccc(C(N)=[NH2+])c1 ZINC000035717612 172371362 /nfs/dbraw/zinc/37/13/62/172371362.db2.gz AJYLEXAUGFJYPD-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CCOc1ccc(C[NH3+])cc1 ZINC000037172385 173005515 /nfs/dbraw/zinc/00/55/15/173005515.db2.gz AGFZFKKUZGKOJZ-ZDUSSCGKSA-N 2 1 250.386 2.502 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000037210086 173031192 /nfs/dbraw/zinc/03/11/92/173031192.db2.gz HNXPYMQVHNRRMX-GXTWGEPZSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210086 173031194 /nfs/dbraw/zinc/03/11/94/173031194.db2.gz HNXPYMQVHNRRMX-GXTWGEPZSA-N 2 1 250.361 2.646 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037220390 173039570 /nfs/dbraw/zinc/03/95/70/173039570.db2.gz IBMDYWYGNZUFIJ-QLFBSQMISA-N 2 1 261.413 2.853 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037220390 173039573 /nfs/dbraw/zinc/03/95/73/173039573.db2.gz IBMDYWYGNZUFIJ-QLFBSQMISA-N 2 1 261.413 2.853 10 0 CFAEMP C[C@@H]([NH3+])c1ccc(OCC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC000040240631 174213347 /nfs/dbraw/zinc/21/33/47/174213347.db2.gz SALGTTZNSQFCRT-YPMHNXCESA-N 2 1 266.360 2.709 10 0 CFAEMP CCCCOCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000040506734 174302428 /nfs/dbraw/zinc/30/24/28/174302428.db2.gz XFHFYTIWQRAUKB-HZPDHXFCSA-N 2 1 270.461 2.903 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000040621506 174355273 /nfs/dbraw/zinc/35/52/73/174355273.db2.gz HLXNLOZHPFUONW-KBPBESRZSA-N 2 1 250.386 2.969 10 0 CFAEMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621506 174355275 /nfs/dbraw/zinc/35/52/75/174355275.db2.gz HLXNLOZHPFUONW-KBPBESRZSA-N 2 1 250.386 2.969 10 0 CFAEMP CCC[N@@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747579 174392445 /nfs/dbraw/zinc/39/24/45/174392445.db2.gz ZXQJJMFEHXNOIO-XYPWUTKMSA-N 2 1 259.397 2.577 10 0 CFAEMP CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749453 174394386 /nfs/dbraw/zinc/39/43/86/174394386.db2.gz SOUPIEJRTUBGND-MQVJKMGUSA-N 2 1 274.408 2.928 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1Cl ZINC000040750133 174395181 /nfs/dbraw/zinc/39/51/81/174395181.db2.gz OAODERPQQUDXIY-YHWZYXNKSA-N 2 1 280.799 2.673 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1Cl ZINC000040750133 174395183 /nfs/dbraw/zinc/39/51/83/174395183.db2.gz OAODERPQQUDXIY-YHWZYXNKSA-N 2 1 280.799 2.673 10 0 CFAEMP Cc1ccc([C@@H](N)C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000042392884 174707667 /nfs/dbraw/zinc/70/76/67/174707667.db2.gz WREAAIBAAVTNNY-SFHVURJKSA-N 2 1 289.467 2.577 10 0 CFAEMP Cc1cccc([C@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)c1C ZINC000043314985 175004693 /nfs/dbraw/zinc/00/46/93/175004693.db2.gz LVHJBMIOVXXSKJ-SFHVURJKSA-N 2 1 289.467 2.577 10 0 CFAEMP COc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000043499050 175058242 /nfs/dbraw/zinc/05/82/42/175058242.db2.gz GRQYPIOHXAAJOG-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP COc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000043499050 175058243 /nfs/dbraw/zinc/05/82/43/175058243.db2.gz GRQYPIOHXAAJOG-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000043559860 175065860 /nfs/dbraw/zinc/06/58/60/175065860.db2.gz GBPPJJXEELRSJO-MJBXVCDLSA-N 2 1 289.423 2.606 10 0 CFAEMP CCOC(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000043618119 175080505 /nfs/dbraw/zinc/08/05/05/175080505.db2.gz GAEOQAKCTHLZKL-CQSZACIVSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810287 175109841 /nfs/dbraw/zinc/10/98/41/175109841.db2.gz UDKVCMQUXRIQRA-XHSDSOJGSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810287 175109842 /nfs/dbraw/zinc/10/98/42/175109842.db2.gz UDKVCMQUXRIQRA-XHSDSOJGSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818514 175112924 /nfs/dbraw/zinc/11/29/24/175112924.db2.gz DXIQPJLKPXEMRN-WMZOPIPTSA-N 2 1 289.467 2.753 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+](C)CC ZINC000043820223 175113977 /nfs/dbraw/zinc/11/39/77/175113977.db2.gz FAYATGTYWCLTEX-GFCCVEGCSA-N 2 1 250.386 2.817 10 0 CFAEMP CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818543 175113999 /nfs/dbraw/zinc/11/39/99/175113999.db2.gz WEGZFIPYUREHOL-IRXDYDNUSA-N 2 1 281.488 2.715 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)C2CC2)c1 ZINC000043823431 175114776 /nfs/dbraw/zinc/11/47/76/175114776.db2.gz AWJNRLQXPOWEOM-GFCCVEGCSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CCC)C(C)C)OCCO2 ZINC000043885286 175116944 /nfs/dbraw/zinc/11/69/44/175116944.db2.gz OMOLUNNVKUHNRP-HZPDHXFCSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889829 175117525 /nfs/dbraw/zinc/11/75/25/175117525.db2.gz YTAZHXLECJFGBA-HRCADAONSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889829 175117526 /nfs/dbraw/zinc/11/75/26/175117526.db2.gz YTAZHXLECJFGBA-HRCADAONSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888380 175117674 /nfs/dbraw/zinc/11/76/74/175117674.db2.gz CLOHWVKSNVUOJZ-HZPDHXFCSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H](C[NH+]1CCC(OC)CC1)C(C)(C)C ZINC000043890355 175118298 /nfs/dbraw/zinc/11/82/98/175118298.db2.gz OZOWMHBZLPMLMJ-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043901871 175122002 /nfs/dbraw/zinc/12/20/02/175122002.db2.gz IKAJHVUJMFLXEB-DLBZAZTESA-N 2 1 275.440 2.867 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901871 175122003 /nfs/dbraw/zinc/12/20/03/175122003.db2.gz IKAJHVUJMFLXEB-DLBZAZTESA-N 2 1 275.440 2.867 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966804 175127656 /nfs/dbraw/zinc/12/76/56/175127656.db2.gz AHPBFSUDKBRUPU-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966804 175127658 /nfs/dbraw/zinc/12/76/58/175127658.db2.gz AHPBFSUDKBRUPU-ZNMIVQPWSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966932 175128097 /nfs/dbraw/zinc/12/80/97/175128097.db2.gz HKJTXIRPWWSDIX-JYJNAYRXSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966932 175128098 /nfs/dbraw/zinc/12/80/98/175128098.db2.gz HKJTXIRPWWSDIX-JYJNAYRXSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966839 175128156 /nfs/dbraw/zinc/12/81/56/175128156.db2.gz MRJAIDCDVKGJAT-JONQDZQNSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966839 175128157 /nfs/dbraw/zinc/12/81/57/175128157.db2.gz MRJAIDCDVKGJAT-JONQDZQNSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@H+](CC)CCOC ZINC000043968763 175129683 /nfs/dbraw/zinc/12/96/83/175129683.db2.gz JKMCLPDHBMWZHT-XHSDSOJGSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968763 175129685 /nfs/dbraw/zinc/12/96/85/175129685.db2.gz JKMCLPDHBMWZHT-XHSDSOJGSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CC)CCOC ZINC000043968744 175129765 /nfs/dbraw/zinc/12/97/65/175129765.db2.gz MLQKTXLPTXUWHC-KKUMJFAQSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968744 175129766 /nfs/dbraw/zinc/12/97/66/175129766.db2.gz MLQKTXLPTXUWHC-KKUMJFAQSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](CCOC)[C@@H](C)CC ZINC000043973434 175132430 /nfs/dbraw/zinc/13/24/30/175132430.db2.gz PVBMUORTHQMPAK-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](CCOC)[C@@H](C)CC ZINC000043973434 175132431 /nfs/dbraw/zinc/13/24/31/175132431.db2.gz PVBMUORTHQMPAK-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977682 175133596 /nfs/dbraw/zinc/13/35/96/175133596.db2.gz QVOZJTKXGCWUAF-GZBFAFLISA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977682 175133598 /nfs/dbraw/zinc/13/35/98/175133598.db2.gz QVOZJTKXGCWUAF-GZBFAFLISA-N 2 1 256.434 2.510 10 0 CFAEMP CCc1[nH+]ccn1[C@@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000044036583 175139752 /nfs/dbraw/zinc/13/97/52/175139752.db2.gz NYIAWXSMVRTEPO-GDBMZVCRSA-N 2 1 255.365 2.894 10 0 CFAEMP CCc1[nH+]ccn1C[C@@H]([NH2+]C)c1cc(C)ccc1OC ZINC000044037428 175140023 /nfs/dbraw/zinc/14/00/23/175140023.db2.gz FKPNEBSVHLMNAW-CQSZACIVSA-N 2 1 273.380 2.723 10 0 CFAEMP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1n1cc[nH+]c1CC ZINC000044036898 175140064 /nfs/dbraw/zinc/14/00/64/175140064.db2.gz NMIUILZDQMINBP-GOEBONIOSA-N 2 1 255.365 2.894 10 0 CFAEMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532880 175196121 /nfs/dbraw/zinc/19/61/21/175196121.db2.gz OMGFDVRIPRUVOR-GOEBONIOSA-N 2 1 275.440 2.999 10 0 CFAEMP C[N@@H+]1CCC[C@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000044535563 175198251 /nfs/dbraw/zinc/19/82/51/175198251.db2.gz IMGCUIRDITVUME-GFCCVEGCSA-N 2 1 270.380 2.571 10 0 CFAEMP C[N@H+]1CCC[C@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000044535563 175198252 /nfs/dbraw/zinc/19/82/52/175198252.db2.gz IMGCUIRDITVUME-GFCCVEGCSA-N 2 1 270.380 2.571 10 0 CFAEMP Cc1cccc(NC(=O)CCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044559129 175203654 /nfs/dbraw/zinc/20/36/54/175203654.db2.gz KVQMEBYGXLDZBI-INIZCTEOSA-N 2 1 289.423 2.527 10 0 CFAEMP Cc1cccc(NC(=O)CCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044559129 175203655 /nfs/dbraw/zinc/20/36/55/175203655.db2.gz KVQMEBYGXLDZBI-INIZCTEOSA-N 2 1 289.423 2.527 10 0 CFAEMP C[N@@H+](CC(C)(C)C)[C@@H](CN)c1ccc(F)c(F)c1 ZINC000045070821 175301177 /nfs/dbraw/zinc/30/11/77/175301177.db2.gz OQCKKKWNWJLOTR-ZDUSSCGKSA-N 2 1 256.340 2.943 10 0 CFAEMP CCCC[NH+]1CCC([NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045171178 175321032 /nfs/dbraw/zinc/32/10/32/175321032.db2.gz IIXXVNWEZPOEEG-CYBMUJFWSA-N 2 1 292.471 2.952 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000045171945 175321116 /nfs/dbraw/zinc/32/11/16/175321116.db2.gz MCECWUOUXUTROG-UONOGXRCSA-N 2 1 292.471 2.810 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1C ZINC000045172725 175321868 /nfs/dbraw/zinc/32/18/68/175321868.db2.gz WMLVKSTUXSZHAG-IUODEOHRSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000045172725 175321869 /nfs/dbraw/zinc/32/18/69/175321869.db2.gz WMLVKSTUXSZHAG-IUODEOHRSA-N 2 1 278.444 2.512 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045370696 175364511 /nfs/dbraw/zinc/36/45/11/175364511.db2.gz KCDWFDDDTAENEP-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045370696 175364512 /nfs/dbraw/zinc/36/45/12/175364512.db2.gz KCDWFDDDTAENEP-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372438 175364636 /nfs/dbraw/zinc/36/46/36/175364636.db2.gz MGVLKONCQKYXQY-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372438 175364637 /nfs/dbraw/zinc/36/46/37/175364637.db2.gz MGVLKONCQKYXQY-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)C1CCCCC1)[NH2+]C ZINC000045372418 175364868 /nfs/dbraw/zinc/36/48/68/175364868.db2.gz ZCTQZNUXMTZVIC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CCCCC1)[NH2+]C ZINC000045372418 175364869 /nfs/dbraw/zinc/36/48/69/175364869.db2.gz ZCTQZNUXMTZVIC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372459 175364873 /nfs/dbraw/zinc/36/48/73/175364873.db2.gz HGKMJBCAKWPEBG-QGZVFWFLSA-N 2 1 297.487 2.665 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372328 175365003 /nfs/dbraw/zinc/36/50/03/175365003.db2.gz ZHBRIOFVXHLULM-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[NH+](CC)CC)[NH2+]C(C)C ZINC000045375866 175366699 /nfs/dbraw/zinc/36/66/99/175366699.db2.gz ZXESRTADPOJZTR-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379149 175368053 /nfs/dbraw/zinc/36/80/53/175368053.db2.gz MXQOBSUODQKFJA-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379149 175368055 /nfs/dbraw/zinc/36/80/55/175368055.db2.gz MXQOBSUODQKFJA-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC)C(=O)OCC ZINC000045382200 175370034 /nfs/dbraw/zinc/37/00/34/175370034.db2.gz TVFPQZIOJCRMEL-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382200 175370036 /nfs/dbraw/zinc/37/00/36/175370036.db2.gz TVFPQZIOJCRMEL-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381023 175370126 /nfs/dbraw/zinc/37/01/26/175370126.db2.gz WEMDIZKBYRWHPY-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381023 175370128 /nfs/dbraw/zinc/37/01/28/175370128.db2.gz WEMDIZKBYRWHPY-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384168 175371153 /nfs/dbraw/zinc/37/11/53/175371153.db2.gz ZDJNGZLTFHBWKT-DOTOQJQBSA-N 2 1 297.487 2.665 10 0 CFAEMP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045387134 175373386 /nfs/dbraw/zinc/37/33/86/175373386.db2.gz DCWVJRSSAFYIBF-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045387134 175373388 /nfs/dbraw/zinc/37/33/88/175373388.db2.gz DCWVJRSSAFYIBF-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388685 175373946 /nfs/dbraw/zinc/37/39/46/175373946.db2.gz UBFIMOQCEPMJCF-GOEBONIOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388685 175373947 /nfs/dbraw/zinc/37/39/47/175373947.db2.gz UBFIMOQCEPMJCF-GOEBONIOSA-N 2 1 286.460 2.676 10 0 CFAEMP C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000071401726 176153857 /nfs/dbraw/zinc/15/38/57/176153857.db2.gz ZSQFJVZMHWBXBU-MRXNPFEDSA-N 2 1 262.397 2.577 10 0 CFAEMP Cc1cccc2nc(C3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288161 177249160 /nfs/dbraw/zinc/24/91/60/177249160.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 2 1 298.434 2.660 10 0 CFAEMP c1ccc(C[C@@H]2CC[NH2+][C@@H]2C[NH+]2CCCCC2)cc1 ZINC000039277483 260171965 /nfs/dbraw/zinc/17/19/65/260171965.db2.gz DANSRUVTWYEJOA-DLBZAZTESA-N 2 1 258.409 2.693 10 0 CFAEMP Cc1cccc2c(NC[C@H]3C[N@H+](C)CCO3)c(C)c[nH+]c12 ZINC000185284993 281309902 /nfs/dbraw/zinc/30/99/02/281309902.db2.gz WLFJWYIIECEVTK-AWEZNQCLSA-N 2 1 285.391 2.594 10 0 CFAEMP Cc1cccc2c(NC[C@H]3C[N@@H+](C)CCO3)c(C)c[nH+]c12 ZINC000185284993 281309904 /nfs/dbraw/zinc/30/99/04/281309904.db2.gz WLFJWYIIECEVTK-AWEZNQCLSA-N 2 1 285.391 2.594 10 0 CFAEMP CC(C)[N@@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052419596 519626896 /nfs/dbraw/zinc/62/68/96/519626896.db2.gz HDMCMHJTCJDDQM-UHFFFAOYSA-N 2 1 262.397 2.658 10 0 CFAEMP CC(C)[C@@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181745 519791159 /nfs/dbraw/zinc/79/11/59/519791159.db2.gz LRXWPFIUDGOMIJ-CQSZACIVSA-N 2 1 268.445 2.512 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181347 519910286 /nfs/dbraw/zinc/91/02/86/519910286.db2.gz MMMGDUFZECJZNF-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H](C)CC)O1 ZINC000052454365 519925782 /nfs/dbraw/zinc/92/57/82/519925782.db2.gz NDKBPCPQYHNBLD-KKUMJFAQSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183022 518753154 /nfs/dbraw/zinc/75/31/54/518753154.db2.gz DRAAHZMXZBQESA-LSDHHAIUSA-N 2 1 280.456 2.656 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815780 519688358 /nfs/dbraw/zinc/68/83/58/519688358.db2.gz JMPVLHHFSKQKQS-MRXNPFEDSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052503367 519716786 /nfs/dbraw/zinc/71/67/86/519716786.db2.gz WMOAPIVQEWPCMS-INIZCTEOSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346233 519725390 /nfs/dbraw/zinc/72/53/90/519725390.db2.gz MPZOFTJHGLWXIX-SJORKVTESA-N 2 1 294.414 2.803 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1OCC[N@@H+](C)C1CC1 ZINC000052445368 519728095 /nfs/dbraw/zinc/72/80/95/519728095.db2.gz KNMTVGRNMDFULB-UHFFFAOYSA-N 2 1 262.397 2.658 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccsc2)O1 ZINC000052457419 519746526 /nfs/dbraw/zinc/74/65/26/519746526.db2.gz WZPCBGRGZIPHBU-CVEARBPZSA-N 2 1 296.480 2.973 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416636 519919625 /nfs/dbraw/zinc/91/96/25/519919625.db2.gz RJKOUBUVKQFSFG-GFCCVEGCSA-N 2 1 252.427 2.884 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000052416636 519919627 /nfs/dbraw/zinc/91/96/27/519919627.db2.gz RJKOUBUVKQFSFG-GFCCVEGCSA-N 2 1 252.427 2.884 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C(C)(C)CC)O1 ZINC000069448472 519924982 /nfs/dbraw/zinc/92/49/82/519924982.db2.gz QJRQVBCXCJGVCE-KBPBESRZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420853 519928071 /nfs/dbraw/zinc/92/80/71/519928071.db2.gz RHOLBUAXNHWQNS-XUWVNRHRSA-N 2 1 268.445 2.512 10 0 CFAEMP CC[NH2+][C@H](C)CCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055065111 520172452 /nfs/dbraw/zinc/17/24/52/520172452.db2.gz XGYIKMDZDIQRGT-HZPDHXFCSA-N 2 1 269.477 2.571 10 0 CFAEMP CCCCC[N@@H+](C[C@H]1CC[C@H](C[NH2+]C)O1)C(C)C ZINC000052544851 520174831 /nfs/dbraw/zinc/17/48/31/520174831.db2.gz SEHZYFSSAKANOT-HUUCEWRRSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](CC)CCOC ZINC000054555476 520219669 /nfs/dbraw/zinc/21/96/69/520219669.db2.gz HYFDNLQSRZRQKE-JYJNAYRXSA-N 2 1 270.461 2.758 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](CC)CCOC ZINC000054555476 520219672 /nfs/dbraw/zinc/21/96/72/520219672.db2.gz HYFDNLQSRZRQKE-JYJNAYRXSA-N 2 1 270.461 2.758 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH3+])CCOCC1)[C@H](C)CC ZINC000052198186 520485122 /nfs/dbraw/zinc/48/51/22/520485122.db2.gz OBONYDYAASJBQA-CQSZACIVSA-N 2 1 256.434 2.643 10 0 CFAEMP CCO[C@H](C[NH3+])CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000062740920 520516891 /nfs/dbraw/zinc/51/68/91/520516891.db2.gz UPFDHDQXDWKOOZ-JKSUJKDBSA-N 2 1 262.397 2.577 10 0 CFAEMP CC[N@@H+](CCOc1ccccc1C[NH2+]C)C(C)C ZINC000052446792 521153591 /nfs/dbraw/zinc/15/35/91/521153591.db2.gz GPZYRFQTWJRCNW-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[N@@H+](Cc1occc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052504764 521469763 /nfs/dbraw/zinc/46/97/63/521469763.db2.gz LISQELUWSZXILS-ZDUSSCGKSA-N 2 1 268.401 2.634 10 0 CFAEMP CCOc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049551745 521504879 /nfs/dbraw/zinc/50/48/79/521504879.db2.gz BNPMBHMLILZXQX-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1ccsc1 ZINC000054629402 521957129 /nfs/dbraw/zinc/95/71/29/521957129.db2.gz VZBRQHIWLRNSKU-PRTUASRFSA-N 2 1 264.438 2.894 10 0 CFAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346392 522059238 /nfs/dbraw/zinc/05/92/38/522059238.db2.gz ADVQEQXWYCVPGH-LSDHHAIUSA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1coc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000052419132 522148191 /nfs/dbraw/zinc/14/81/91/522148191.db2.gz QVQWKJXSRBLYNA-UHFFFAOYSA-N 2 1 256.349 2.557 10 0 CFAEMP C[NH2+]Cc1coc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000052419132 522148195 /nfs/dbraw/zinc/14/81/95/522148195.db2.gz QVQWKJXSRBLYNA-UHFFFAOYSA-N 2 1 256.349 2.557 10 0 CFAEMP C[NH2+][C@@H](C)c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329461 522335542 /nfs/dbraw/zinc/33/55/42/522335542.db2.gz TZSCKACMVVADOF-LBPRGKRZSA-N 2 1 259.353 2.551 10 0 CFAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)c1ccc(F)cc1 ZINC000069397584 522475073 /nfs/dbraw/zinc/47/50/73/522475073.db2.gz YIQALOFVFBZSLS-MRXNPFEDSA-N 2 1 287.382 2.911 10 0 CFAEMP CCc1[nH+]ccn1Cc1occc1C[NH2+]CC(C)C ZINC000052592932 522590867 /nfs/dbraw/zinc/59/08/67/522590867.db2.gz JZUMQHLWSGHVIK-UHFFFAOYSA-N 2 1 261.369 2.832 10 0 CFAEMP C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231670211 522907502 /nfs/dbraw/zinc/90/75/02/522907502.db2.gz FLFMXNWVKHQXBV-AWEZNQCLSA-N 2 1 282.815 2.793 10 0 CFAEMP C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669531 522912265 /nfs/dbraw/zinc/91/22/65/522912265.db2.gz BBMFPEPZPCZDCG-AWEZNQCLSA-N 2 1 282.815 2.793 10 0 CFAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCCC[NH2+]CC(C)C ZINC000052571158 523351844 /nfs/dbraw/zinc/35/18/44/523351844.db2.gz YRRWJCYLAONMKR-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052477202 523450317 /nfs/dbraw/zinc/45/03/17/523450317.db2.gz UGZDAKXUMAKKST-GFCCVEGCSA-N 2 1 290.432 2.971 10 0 CFAEMP C[N@H+](Cc1ccsc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181590 523485271 /nfs/dbraw/zinc/48/52/71/523485271.db2.gz CWKPLLAYHMBPRL-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP C[N@@H+](Cc1ccsc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181590 523485278 /nfs/dbraw/zinc/48/52/78/523485278.db2.gz CWKPLLAYHMBPRL-UHFFFAOYSA-N 2 1 294.464 2.729 10 0 CFAEMP COCC[N@@H+](Cc1cc(F)ccc1C[NH3+])[C@@H](C)C1CC1 ZINC000069401440 523740722 /nfs/dbraw/zinc/74/07/22/523740722.db2.gz PUJPYRRAWHJLBU-LBPRGKRZSA-N 2 1 280.387 2.531 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181446 523868075 /nfs/dbraw/zinc/86/80/75/523868075.db2.gz CCKTWOFRBBSVFF-HNNXBMFYSA-N 2 1 270.461 2.759 10 0 CFAEMP CC[C@H](C)[N@@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953691 523935492 /nfs/dbraw/zinc/93/54/92/523935492.db2.gz BPBDLWUCGBFVIF-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[C@H](C)N1CC[NH+]([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074354 523958096 /nfs/dbraw/zinc/95/80/96/523958096.db2.gz IMGRHKNHNHVSOH-HOTGVXAUSA-N 2 1 269.477 2.569 10 0 CFAEMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000234931365 524003343 /nfs/dbraw/zinc/00/33/43/524003343.db2.gz WUEVHEHACTWGDP-CYBMUJFWSA-N 2 1 282.815 2.780 10 0 CFAEMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000234931365 524003347 /nfs/dbraw/zinc/00/33/47/524003347.db2.gz WUEVHEHACTWGDP-CYBMUJFWSA-N 2 1 282.815 2.780 10 0 CFAEMP Cc1ccc(C)c(CN2CCC[N@@H+](CCCC[NH3+])CC2)c1 ZINC000049256667 524099865 /nfs/dbraw/zinc/09/98/65/524099865.db2.gz IJYBKJLKIUVAIV-UHFFFAOYSA-N 2 1 289.467 2.550 10 0 CFAEMP Cc1ccc(C)c(C[N@@H+]2CCCN(CCCC[NH3+])CC2)c1 ZINC000049256667 524099869 /nfs/dbraw/zinc/09/98/69/524099869.db2.gz IJYBKJLKIUVAIV-UHFFFAOYSA-N 2 1 289.467 2.550 10 0 CFAEMP Cc1ccc(C)c(C[N@H+]2CCCN(CCCC[NH3+])CC2)c1 ZINC000049256667 524099872 /nfs/dbraw/zinc/09/98/72/524099872.db2.gz IJYBKJLKIUVAIV-UHFFFAOYSA-N 2 1 289.467 2.550 10 0 CFAEMP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052424016 524191981 /nfs/dbraw/zinc/19/19/81/524191981.db2.gz FEVHSRZNBVMGMC-CQSZACIVSA-N 2 1 263.429 2.723 10 0 CFAEMP C[C@@H]1CCC[N@H+]1CCOc1ccccc1C[NH2+]C1CC1 ZINC000052375851 524262165 /nfs/dbraw/zinc/26/21/65/524262165.db2.gz NAIKEBCKOHVXHV-CQSZACIVSA-N 2 1 274.408 2.802 10 0 CFAEMP C[C@H]1C[N@H+]([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363731 524664185 /nfs/dbraw/zinc/66/41/85/524664185.db2.gz XARAKQYCZGBIIH-WCFLWFBJSA-N 2 1 250.411 2.795 10 0 CFAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000151262805 524830067 /nfs/dbraw/zinc/83/00/67/524830067.db2.gz YEPZQZQNJPQSGF-IAGOWNOFSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000050563669 525639533 /nfs/dbraw/zinc/63/95/33/525639533.db2.gz OBNRLPYTVNJMKM-UONOGXRCSA-N 2 1 289.423 2.594 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000151313662 525730066 /nfs/dbraw/zinc/73/00/66/525730066.db2.gz SNUYLYJWZRHEJF-SJORKVTESA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@H](c1cccs1)[N@@H+](C)Cc1occc1C[NH3+] ZINC000052506670 526153499 /nfs/dbraw/zinc/15/34/99/526153499.db2.gz YQUYAZMTCLQBGR-SNVBAGLBSA-N 2 1 250.367 2.993 10 0 CFAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546772 526261423 /nfs/dbraw/zinc/26/14/23/526261423.db2.gz IBNJAZRYTLXJIX-CMPLNLGQSA-N 2 1 253.415 2.612 10 0 CFAEMP [NH3+]C[C@]1([NH+]2Cc3ccccc3C2)CCc2ccccc2C1 ZINC000050910544 527243518 /nfs/dbraw/zinc/24/35/18/527243518.db2.gz PCKHPZFWDOMXGL-IBGZPJMESA-N 2 1 278.399 2.889 10 0 CFAEMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261667656 618128616 /nfs/dbraw/zinc/12/86/16/618128616.db2.gz ZVLNZIISFJVPLI-GVDBMIGSSA-N 2 1 258.409 2.979 10 0 CFAEMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261943232 618217995 /nfs/dbraw/zinc/21/79/95/618217995.db2.gz NDVXTLBLDFBQEO-NUEKZKHPSA-N 2 1 294.826 2.587 10 0 CFAEMP c1csc([C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000178979802 618280067 /nfs/dbraw/zinc/28/00/67/618280067.db2.gz NAQAITWTXZWUAF-ZDUSSCGKSA-N 2 1 265.426 2.670 10 0 CFAEMP CC1(C)CC([NH2+]C2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000399224075 619090152 /nfs/dbraw/zinc/09/01/52/619090152.db2.gz DCUAVRBGWCLUEE-UHFFFAOYSA-N 2 1 282.472 2.638 10 0 CFAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC2CC2)cc1 ZINC000399695881 619156801 /nfs/dbraw/zinc/15/68/01/619156801.db2.gz IBUIYGXETMHPJH-JWTNVVGKSA-N 2 1 270.420 2.897 10 0 CFAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC2CC2)cc1 ZINC000399695881 619156804 /nfs/dbraw/zinc/15/68/04/619156804.db2.gz IBUIYGXETMHPJH-JWTNVVGKSA-N 2 1 270.420 2.897 10 0 CFAEMP CCCCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000157960277 623084786 /nfs/dbraw/zinc/08/47/86/623084786.db2.gz AWMOMCSQTHSTLP-OAHLLOKOSA-N 2 1 270.461 2.591 10 0 CFAEMP CCC[NH2+][C@](C)(CO)CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000085241828 178982387 /nfs/dbraw/zinc/98/23/87/178982387.db2.gz HTGCHANWXGCEQH-HOCLYGCPSA-N 2 1 272.477 2.884 10 0 CFAEMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818725 179347632 /nfs/dbraw/zinc/34/76/32/179347632.db2.gz NVKGHPNIJMKZNI-HOCLYGCPSA-N 2 1 276.424 2.700 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000086818886 179347953 /nfs/dbraw/zinc/34/79/53/179347953.db2.gz SZELPUKNGCWNJK-MRXNPFEDSA-N 2 1 284.407 2.651 10 0 CFAEMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818844 179348045 /nfs/dbraw/zinc/34/80/45/179348045.db2.gz ISCGWZFNQUXEEV-UKRRQHHQSA-N 2 1 292.423 2.839 10 0 CFAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086819672 179348594 /nfs/dbraw/zinc/34/85/94/179348594.db2.gz QJWPXOXESSRAKD-FUHWJXTLSA-N 2 1 295.515 2.948 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086817571 179346158 /nfs/dbraw/zinc/34/61/58/179346158.db2.gz DXGVOERDBDRIPF-UONOGXRCSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817571 179346160 /nfs/dbraw/zinc/34/61/60/179346160.db2.gz DXGVOERDBDRIPF-UONOGXRCSA-N 2 1 292.423 2.839 10 0 CFAEMP CCC[N@H+]1CCC[C@@H](NCC[NH+](C(C)C)C(C)C)CC1 ZINC000086834825 179349911 /nfs/dbraw/zinc/34/99/11/179349911.db2.gz SQBCNTYDECAFDE-QGZVFWFLSA-N 2 1 283.504 2.959 10 0 CFAEMP CCOC(=O)C[C@@]1([NH+]2CCCCCC2)CCC[N@@H+](C)CC1 ZINC000086834393 179350056 /nfs/dbraw/zinc/35/00/56/179350056.db2.gz IKPKDYFOFZVQJC-QGZVFWFLSA-N 2 1 296.455 2.670 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H](NCCC[NH+]2CCC(C)CC2)CC1 ZINC000086836686 179351929 /nfs/dbraw/zinc/35/19/29/179351929.db2.gz FYWMEVMWLHHTQV-GOSISDBHSA-N 2 1 295.515 2.961 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000086836686 179351931 /nfs/dbraw/zinc/35/19/31/179351931.db2.gz FYWMEVMWLHHTQV-GOSISDBHSA-N 3 1 295.515 2.961 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000086836686 179351933 /nfs/dbraw/zinc/35/19/33/179351933.db2.gz FYWMEVMWLHHTQV-GOSISDBHSA-N 3 1 295.515 2.961 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842416 179352675 /nfs/dbraw/zinc/35/26/75/179352675.db2.gz NHAXCXHSYWOCOR-HNNXBMFYSA-N 2 1 290.407 2.769 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842416 179352679 /nfs/dbraw/zinc/35/26/79/179352679.db2.gz NHAXCXHSYWOCOR-HNNXBMFYSA-N 2 1 290.407 2.769 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844301 179355681 /nfs/dbraw/zinc/35/56/81/179355681.db2.gz LFRYZYZIPXTCFE-MRXNPFEDSA-N 2 1 282.378 2.971 10 0 CFAEMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209512512 348157970 /nfs/dbraw/zinc/15/79/70/348157970.db2.gz AJENTEPPYFHMDK-BMIGLBTASA-N 2 1 273.767 2.686 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000631836578 355600177 /nfs/dbraw/zinc/60/01/77/355600177.db2.gz BUGJEYTXYOSBEB-GWCFXTLKSA-N 2 1 254.324 2.651 10 0 CFAEMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000381724170 540699556 /nfs/dbraw/zinc/69/95/56/540699556.db2.gz RXOAPRDPXCTEMP-MJBXVCDLSA-N 2 1 272.383 2.873 10 0 CFAEMP [NH3+]C1(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CCCCC1 ZINC000333286186 205184496 /nfs/dbraw/zinc/18/44/96/205184496.db2.gz NIEYKMDOFJHUAP-CQSZACIVSA-N 2 1 287.407 2.711 10 0 CFAEMP C[C@H]1C[NH2+]CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000054374869 373523157 /nfs/dbraw/zinc/52/31/57/373523157.db2.gz MAOKGYDWOOPEGR-JTQLQIEISA-N 2 1 261.756 2.686 10 0 CFAEMP Cc1cc[nH+]c(N[C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195088924 220227651 /nfs/dbraw/zinc/22/76/51/220227651.db2.gz AMNLUDQSMRCUGK-CQSZACIVSA-N 2 1 265.320 2.710 10 0 CFAEMP [NH3+]C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000073738671 374376811 /nfs/dbraw/zinc/37/68/11/374376811.db2.gz GJNHSTPKUQDXDF-UHFFFAOYSA-N 2 1 261.756 2.816 10 0 CFAEMP COc1cc(N[C@@H](C)CCC[NH3+])cc2[nH+]cccc21 ZINC000097056120 375506373 /nfs/dbraw/zinc/50/63/73/375506373.db2.gz JEHBDVTXYLXKCV-NSHDSACASA-N 2 1 259.353 2.783 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC000121154411 376770923 /nfs/dbraw/zinc/77/09/23/376770923.db2.gz JAOOSSDNMTYUQG-AQFXKWCLSA-N 2 1 296.499 2.837 10 0 CFAEMP Cc1cc(NCC[NH2+]C2CCCCCC2)nc(C)[nH+]1 ZINC000130135974 377515011 /nfs/dbraw/zinc/51/50/11/377515011.db2.gz XJJRHELMOQVPQK-UHFFFAOYSA-N 2 1 262.401 2.818 10 0 CFAEMP O[C@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151326044 378317704 /nfs/dbraw/zinc/31/77/04/378317704.db2.gz STDDJRPPZVKGJH-AEFFLSMTSA-N 2 1 288.435 2.500 10 0 CFAEMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000133574836 284738576 /nfs/dbraw/zinc/73/85/76/284738576.db2.gz OFXLUOYLUFUFLS-GOSISDBHSA-N 2 1 289.467 2.760 10 0 CFAEMP CC[N@@H+]1CCC[C@H]1CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000175339870 380046916 /nfs/dbraw/zinc/04/69/16/380046916.db2.gz QLMWISYUBYYPIQ-HNNXBMFYSA-N 2 1 291.439 2.623 10 0 CFAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000175339870 380046921 /nfs/dbraw/zinc/04/69/21/380046921.db2.gz QLMWISYUBYYPIQ-HNNXBMFYSA-N 2 1 291.439 2.623 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000400349981 380857334 /nfs/dbraw/zinc/85/73/34/380857334.db2.gz JQQBVZHETQJOLH-OUAUKWLOSA-N 2 1 254.324 2.613 10 0 CFAEMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000343964792 382038932 /nfs/dbraw/zinc/03/89/32/382038932.db2.gz NPLROFCDZRWGJR-VOKGJARPSA-N 2 1 297.402 2.757 10 0 CFAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1coc3ccccc13)C2 ZINC000328624794 382556881 /nfs/dbraw/zinc/55/68/81/382556881.db2.gz COOJPJAUIQSVFU-ZDUSSCGKSA-N 2 1 281.359 2.982 10 0 CFAEMP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000385160754 382566681 /nfs/dbraw/zinc/56/66/81/382566681.db2.gz RULDSXBJMNJEPR-KOLCDFICSA-N 2 1 261.756 2.814 10 0 CFAEMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000385160760 382566877 /nfs/dbraw/zinc/56/68/77/382566877.db2.gz RULDSXBJMNJEPR-ONGXEEELSA-N 2 1 261.756 2.814 10 0 CFAEMP CCCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195275551 382765595 /nfs/dbraw/zinc/76/55/95/382765595.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 1 261.413 2.635 10 0 CFAEMP C[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000231459770 382864742 /nfs/dbraw/zinc/86/47/42/382864742.db2.gz LOYGTXHHTMSVAL-OAHLLOKOSA-N 2 1 269.392 2.809 10 0 CFAEMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231457274 382864924 /nfs/dbraw/zinc/86/49/24/382864924.db2.gz YREQGDOPOHBYAD-OAHLLOKOSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423387876 383077490 /nfs/dbraw/zinc/07/74/90/383077490.db2.gz KHRMEWAOUCASCI-BMFZPTHFSA-N 2 1 276.424 2.568 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067050 383139091 /nfs/dbraw/zinc/13/90/91/383139091.db2.gz IJLGXYBFSXVCNN-KBAYOESNSA-N 2 1 288.435 2.808 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3Br)C[C@@H]12 ZINC000261552686 383510561 /nfs/dbraw/zinc/51/05/61/383510561.db2.gz NFMXZOMVDPQOOD-MPKXVKKWSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Br)C[C@@H]12 ZINC000261552686 383510565 /nfs/dbraw/zinc/51/05/65/383510565.db2.gz NFMXZOMVDPQOOD-MPKXVKKWSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]12 ZINC000261576737 383518496 /nfs/dbraw/zinc/51/84/96/383518496.db2.gz NXTXGCARTDJPBM-JTNHKYCSSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]12 ZINC000261576737 383518500 /nfs/dbraw/zinc/51/85/00/383518500.db2.gz NXTXGCARTDJPBM-JTNHKYCSSA-N 2 1 268.763 2.648 10 0 CFAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261583654 383519161 /nfs/dbraw/zinc/51/91/61/383519161.db2.gz HJRCYRQJPYPXGL-OBJOEFQTSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261583654 383519166 /nfs/dbraw/zinc/51/91/66/383519166.db2.gz HJRCYRQJPYPXGL-OBJOEFQTSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261587791 383521450 /nfs/dbraw/zinc/52/14/50/383521450.db2.gz JPOKVYZOTPUMDG-BPNCWPANSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261587791 383521453 /nfs/dbraw/zinc/52/14/53/383521453.db2.gz JPOKVYZOTPUMDG-BPNCWPANSA-N 2 1 280.799 2.518 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261591947 383523985 /nfs/dbraw/zinc/52/39/85/383523985.db2.gz METXFIKGCJVFPJ-YJKIEOBBSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261591947 383523991 /nfs/dbraw/zinc/52/39/91/383523991.db2.gz METXFIKGCJVFPJ-YJKIEOBBSA-N 2 1 266.335 2.695 10 0 CFAEMP CC[N@H+](Cc1cn(C(C)C)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000261940816 383582830 /nfs/dbraw/zinc/58/28/30/383582830.db2.gz MRVUAUCHKNUIDH-MRXNPFEDSA-N 2 1 278.444 2.736 10 0 CFAEMP CC[N@@H+](Cc1cn(C(C)C)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000261940816 383582834 /nfs/dbraw/zinc/58/28/34/383582834.db2.gz MRVUAUCHKNUIDH-MRXNPFEDSA-N 2 1 278.444 2.736 10 0 CFAEMP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000261964446 383586862 /nfs/dbraw/zinc/58/68/62/383586862.db2.gz PXQUKXWKFNHONC-ARFHVFGLSA-N 2 1 280.456 2.704 10 0 CFAEMP c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC21CC1 ZINC000261988467 383591231 /nfs/dbraw/zinc/59/12/31/383591231.db2.gz SAXWBLMAZYIXJQ-CQSZACIVSA-N 2 1 256.393 2.533 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262037185 383597109 /nfs/dbraw/zinc/59/71/09/383597109.db2.gz YAYPZRFQCUQKDS-GVDBMIGSSA-N 2 1 294.483 2.950 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013108 393520984 /nfs/dbraw/zinc/52/09/84/393520984.db2.gz SJLOAQXVUMPXBH-HFBAOOFYSA-N 2 1 262.372 2.730 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400337410 393600928 /nfs/dbraw/zinc/60/09/28/393600928.db2.gz DQCWVYUINNBXOG-OUAUKWLOSA-N 2 1 254.324 2.613 10 0 CFAEMP CC[C@@H]1CN(c2ccc([NH+](CC)CC)cc2)CC[NH2+]1 ZINC000083449820 135022292 /nfs/dbraw/zinc/02/22/92/135022292.db2.gz SKEZKIYNZMLFHJ-CQSZACIVSA-N 2 1 261.413 2.721 10 0 CFAEMP Cc1ccc([C@]2(C)CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000261931480 292281094 /nfs/dbraw/zinc/28/10/94/292281094.db2.gz CVXOPCVCWUPVSI-QZTJIDSGSA-N 2 1 272.436 2.958 10 0 CFAEMP CC(C)c1[nH+]ccn1[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000020261761 171119096 /nfs/dbraw/zinc/11/90/96/171119096.db2.gz GISDSJVXMVTNGQ-JSGCOSHPSA-N 2 1 257.337 2.640 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022156267 171362378 /nfs/dbraw/zinc/36/23/78/171362378.db2.gz IFUYEDKOGGSGOP-CQSZACIVSA-N 2 1 289.423 2.738 10 0 CFAEMP [NH3+]Cc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022165865 171365863 /nfs/dbraw/zinc/36/58/63/171365863.db2.gz DQMPQFCWCAYOOP-UHFFFAOYSA-N 2 1 252.361 2.704 10 0 CFAEMP [NH3+]Cc1ccc(F)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000035725407 172379900 /nfs/dbraw/zinc/37/99/00/172379900.db2.gz DLLNLIJHGPDOKZ-UHFFFAOYSA-N 2 1 276.380 2.904 10 0 CFAEMP [NH3+]Cc1ccc(F)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000035725407 172379901 /nfs/dbraw/zinc/37/99/01/172379901.db2.gz DLLNLIJHGPDOKZ-UHFFFAOYSA-N 2 1 276.380 2.904 10 0 CFAEMP CC[N@@H+](CCCOc1ccc(C[NH3+])cc1)C(C)C ZINC000037081693 172938674 /nfs/dbraw/zinc/93/86/74/172938674.db2.gz QDIPUHJHLSAAFY-UHFFFAOYSA-N 2 1 250.386 2.645 10 0 CFAEMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000037209101 173030479 /nfs/dbraw/zinc/03/04/79/173030479.db2.gz ADESZHYKLIJJDG-ZFWWWQNUSA-N 2 1 264.388 2.688 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000037236973 173055124 /nfs/dbraw/zinc/05/51/24/173055124.db2.gz WJJBZJZFBKBUOZ-LBPRGKRZSA-N 2 1 267.442 2.977 10 0 CFAEMP COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622475 174354497 /nfs/dbraw/zinc/35/44/97/174354497.db2.gz BWUHNPYTBQLFAP-UONOGXRCSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622572 174355503 /nfs/dbraw/zinc/35/55/03/174355503.db2.gz ZILSVIPOLSUWPY-IAGOWNOFSA-N 3 1 295.515 2.817 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000040718123 174384940 /nfs/dbraw/zinc/38/49/40/174384940.db2.gz WTUUWGRFCMQQBZ-CHWSQXEVSA-N 2 1 262.397 2.947 10 0 CFAEMP CC[N@@H+](Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747469 174392552 /nfs/dbraw/zinc/39/25/52/174392552.db2.gz UKYCOXYWDDYADF-XYPWUTKMSA-N 2 1 262.372 2.931 10 0 CFAEMP CC[N@@H+](Cc1ccc(OC)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748202 174393400 /nfs/dbraw/zinc/39/34/00/174393400.db2.gz UAGDNYROJAGBMV-YIONKMFJSA-N 2 1 292.398 2.939 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cccnc21 ZINC000040750374 174394720 /nfs/dbraw/zinc/39/47/20/174394720.db2.gz XTLIJIVDGKUJAG-MQVJKMGUSA-N 2 1 267.376 2.689 10 0 CFAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000040769332 174399674 /nfs/dbraw/zinc/39/96/74/174399674.db2.gz YISTZZYNIGPBOS-TVXGVJEUSA-N 2 1 280.456 2.654 10 0 CFAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000040769332 174399677 /nfs/dbraw/zinc/39/96/77/174399677.db2.gz YISTZZYNIGPBOS-TVXGVJEUSA-N 2 1 280.456 2.654 10 0 CFAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956200 174925139 /nfs/dbraw/zinc/92/51/39/174925139.db2.gz YCSQDNHUVUPSSL-GFCCVEGCSA-N 2 1 294.196 2.756 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810289 175109413 /nfs/dbraw/zinc/10/94/13/175109413.db2.gz UDKVCMQUXRIQRA-JYJNAYRXSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810289 175109415 /nfs/dbraw/zinc/10/94/15/175109415.db2.gz UDKVCMQUXRIQRA-JYJNAYRXSA-N 2 1 296.455 2.525 10 0 CFAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043818225 175112782 /nfs/dbraw/zinc/11/27/82/175112782.db2.gz JWROMHQSFLWJSE-SFHVURJKSA-N 2 1 289.467 2.708 10 0 CFAEMP CCC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000043818504 175113083 /nfs/dbraw/zinc/11/30/83/175113083.db2.gz AXSKLZUKWDKXBF-SFHVURJKSA-N 2 1 289.467 2.673 10 0 CFAEMP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818407 175113099 /nfs/dbraw/zinc/11/30/99/175113099.db2.gz AJNVEHSOZKPVDA-AEFFLSMTSA-N 2 1 289.467 2.672 10 0 CFAEMP C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000043818133 175113273 /nfs/dbraw/zinc/11/32/73/175113273.db2.gz IUQCLWATYRSMIW-MSOLQXFVSA-N 2 1 289.467 2.609 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](CC)CCOC ZINC000043968628 175129635 /nfs/dbraw/zinc/12/96/35/175129635.db2.gz XYNKKKZAYBMGRF-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](CC)CCOC ZINC000043968628 175129636 /nfs/dbraw/zinc/12/96/36/175129636.db2.gz XYNKKKZAYBMGRF-LSDHHAIUSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969193 175130136 /nfs/dbraw/zinc/13/01/36/175130136.db2.gz ATBKFLJCWINLEL-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969193 175130138 /nfs/dbraw/zinc/13/01/38/175130138.db2.gz ATBKFLJCWINLEL-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969447 175130140 /nfs/dbraw/zinc/13/01/40/175130140.db2.gz ZBNMFZLMSGMLHT-FZKCQIBNSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969447 175130141 /nfs/dbraw/zinc/13/01/41/175130141.db2.gz ZBNMFZLMSGMLHT-FZKCQIBNSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969419 175130397 /nfs/dbraw/zinc/13/03/97/175130397.db2.gz FIDCCLPYJOXJDW-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969419 175130398 /nfs/dbraw/zinc/13/03/98/175130398.db2.gz FIDCCLPYJOXJDW-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970441 175131062 /nfs/dbraw/zinc/13/10/62/175131062.db2.gz PDHALOTXUARYMX-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970369 175131117 /nfs/dbraw/zinc/13/11/17/175131117.db2.gz KSDBZNDKJQTAQE-JYJNAYRXSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970512 175131439 /nfs/dbraw/zinc/13/14/39/175131439.db2.gz HANBAUOKUBUUNO-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](CCOC)C2CC2)c1 ZINC000043969840 175131506 /nfs/dbraw/zinc/13/15/06/175131506.db2.gz MERAMWLFEAAATC-ZDUSSCGKSA-N 2 1 292.423 2.586 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973197 175132964 /nfs/dbraw/zinc/13/29/64/175132964.db2.gz QCPXHYHLRSKHBM-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC(CC)[N@H+](CCOC)C[C@H]([NH2+]C)C(C)(C)C ZINC000043976908 175133027 /nfs/dbraw/zinc/13/30/27/175133027.db2.gz QCXWHAMMTARSAO-AWEZNQCLSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)C[C@H]([NH2+]C)C(C)(C)C ZINC000043976908 175133028 /nfs/dbraw/zinc/13/30/28/175133028.db2.gz QCXWHAMMTARSAO-AWEZNQCLSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977862 175133453 /nfs/dbraw/zinc/13/34/53/175133453.db2.gz DUDWJTISWMKLBE-DZKIICNBSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977862 175133454 /nfs/dbraw/zinc/13/34/54/175133454.db2.gz DUDWJTISWMKLBE-DZKIICNBSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977579 175133460 /nfs/dbraw/zinc/13/34/60/175133460.db2.gz UIZMBWFPYRQVCI-WTTBNOFXSA-N 2 1 282.472 2.900 10 0 CFAEMP CCC[NH2+][C@H](C)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977969 175133560 /nfs/dbraw/zinc/13/35/60/175133560.db2.gz CKFFSFDLAMVCQD-RDBSUJKOSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977969 175133561 /nfs/dbraw/zinc/13/35/61/175133561.db2.gz CKFFSFDLAMVCQD-RDBSUJKOSA-N 2 1 256.434 2.510 10 0 CFAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)C12CC3CC(CC(C3)C1)C2 ZINC000043994464 175136450 /nfs/dbraw/zinc/13/64/50/175136450.db2.gz QDKZMIMPJJRSDQ-YYUOFMGYSA-N 2 1 273.424 2.996 10 0 CFAEMP [NH3+]C[C@@H]1CCC[N@@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529786 175194094 /nfs/dbraw/zinc/19/40/94/175194094.db2.gz QLAVGNQVKKVVDS-SIGVMEELSA-N 2 1 262.441 2.874 10 0 CFAEMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534769 175197704 /nfs/dbraw/zinc/19/77/04/175197704.db2.gz ICRDGHJDJTXDCU-CJNGLKHVSA-N 2 1 262.397 2.775 10 0 CFAEMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534767 175197733 /nfs/dbraw/zinc/19/77/33/175197733.db2.gz ICRDGHJDJTXDCU-XJKSGUPXSA-N 2 1 262.397 2.775 10 0 CFAEMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534765 175197988 /nfs/dbraw/zinc/19/79/88/175197988.db2.gz ICRDGHJDJTXDCU-BBRMVZONSA-N 2 1 262.397 2.775 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044540437 175201053 /nfs/dbraw/zinc/20/10/53/175201053.db2.gz JUJZZSUSBMOXTQ-ZDUSSCGKSA-N 2 1 257.381 2.790 10 0 CFAEMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044540437 175201055 /nfs/dbraw/zinc/20/10/55/175201055.db2.gz JUJZZSUSBMOXTQ-ZDUSSCGKSA-N 2 1 257.381 2.790 10 0 CFAEMP COc1ccc(OC)c(C[NH2+]CCCC[N@@H+](C)C(C)C)c1 ZINC000044573220 175210180 /nfs/dbraw/zinc/21/01/80/175210180.db2.gz CROAZWKLBXFPBZ-UHFFFAOYSA-N 2 1 294.439 2.914 10 0 CFAEMP CCC[NH2+][C@@H]1CC[N@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107838 175308131 /nfs/dbraw/zinc/30/81/31/175308131.db2.gz JXTVYBAVZQPJCL-JKSUJKDBSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+][C@@H]1CC[N@@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107838 175308132 /nfs/dbraw/zinc/30/81/32/175308132.db2.gz JXTVYBAVZQPJCL-JKSUJKDBSA-N 2 1 270.461 2.759 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000045167341 175319468 /nfs/dbraw/zinc/31/94/68/175319468.db2.gz GTTQPFQTSJUROT-UONOGXRCSA-N 2 1 292.471 2.952 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000045167341 175319470 /nfs/dbraw/zinc/31/94/70/175319470.db2.gz GTTQPFQTSJUROT-UONOGXRCSA-N 2 1 292.471 2.952 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1C ZINC000045172562 175321802 /nfs/dbraw/zinc/32/18/02/175321802.db2.gz BVVFLBJRMATFSP-RYUDHWBXSA-N 2 1 266.433 2.511 10 0 CFAEMP CCn1nc(C)c([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173283 175322566 /nfs/dbraw/zinc/32/25/66/175322566.db2.gz AWFNPMDXLVMZNE-AVOUXACISA-N 2 1 276.428 2.535 10 0 CFAEMP CCCC[NH+](CCCC)CC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045263358 175337524 /nfs/dbraw/zinc/33/75/24/175337524.db2.gz YLZUQRGPYJTHBW-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OCC ZINC000045368387 175363493 /nfs/dbraw/zinc/36/34/93/175363493.db2.gz WZDQFYNCYHSDMJ-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OCC ZINC000045368387 175363494 /nfs/dbraw/zinc/36/34/94/175363494.db2.gz WZDQFYNCYHSDMJ-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379624 175368187 /nfs/dbraw/zinc/36/81/87/175368187.db2.gz DCVVOKJZZSMWIK-HLLBOEOZSA-N 2 1 297.487 2.663 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381298 175370090 /nfs/dbraw/zinc/37/00/90/175370090.db2.gz NLCZAXILAKGSEU-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381298 175370091 /nfs/dbraw/zinc/37/00/91/175370091.db2.gz NLCZAXILAKGSEU-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383236 175371023 /nfs/dbraw/zinc/37/10/23/175371023.db2.gz JLZVXWQMEJKTBX-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383236 175371024 /nfs/dbraw/zinc/37/10/24/175371024.db2.gz JLZVXWQMEJKTBX-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045388160 175373895 /nfs/dbraw/zinc/37/38/95/175373895.db2.gz JRZIRAHWEGGAJE-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045388160 175373896 /nfs/dbraw/zinc/37/38/96/175373896.db2.gz JRZIRAHWEGGAJE-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC)C1CC1 ZINC000045387652 175374242 /nfs/dbraw/zinc/37/42/42/175374242.db2.gz ICOAAKFINGELBY-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC)C1CC1 ZINC000045387652 175374243 /nfs/dbraw/zinc/37/42/43/175374243.db2.gz ICOAAKFINGELBY-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390514 175374955 /nfs/dbraw/zinc/37/49/55/175374955.db2.gz LSVZKIZHOAGJAG-KRWDZBQOSA-N 2 1 297.487 2.663 10 0 CFAEMP C[C@@H]([N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267918 176101504 /nfs/dbraw/zinc/10/15/04/176101504.db2.gz CVNZWKJMONMOIW-SNVBAGLBSA-N 2 1 265.376 2.976 10 0 CFAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515308 177031081 /nfs/dbraw/zinc/03/10/81/177031081.db2.gz BYEDBVNPLNRCQB-UONOGXRCSA-N 2 1 262.397 2.688 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515582 265183424 /nfs/dbraw/zinc/18/34/24/265183424.db2.gz YVZMIHPVCSDYSD-IXDOHACOSA-N 2 1 283.504 2.863 10 0 CFAEMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000334624563 277072034 /nfs/dbraw/zinc/07/20/34/277072034.db2.gz JEQOSKLKNWUAQJ-UONOGXRCSA-N 2 1 272.383 2.840 10 0 CFAEMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000334624563 277072035 /nfs/dbraw/zinc/07/20/35/277072035.db2.gz JEQOSKLKNWUAQJ-UONOGXRCSA-N 2 1 272.383 2.840 10 0 CFAEMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000334624563 277072036 /nfs/dbraw/zinc/07/20/36/277072036.db2.gz JEQOSKLKNWUAQJ-UONOGXRCSA-N 2 1 272.383 2.840 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594376 278308050 /nfs/dbraw/zinc/30/80/50/278308050.db2.gz NNVFIOHJQFMVML-BILRFKGYSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594376 278308052 /nfs/dbraw/zinc/30/80/52/278308052.db2.gz NNVFIOHJQFMVML-BILRFKGYSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261999817 278511758 /nfs/dbraw/zinc/51/17/58/278511758.db2.gz UKJYGVIJUGOHNG-UYTYNIKBSA-N 2 1 294.483 2.950 10 0 CFAEMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261899430 279978074 /nfs/dbraw/zinc/97/80/74/279978074.db2.gz HMRDUGOCDDEAGA-CWQOZTLDSA-N 2 1 294.483 2.948 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2C2CC2)C[C@@]1(C)C[NH3+] ZINC000415059175 288247527 /nfs/dbraw/zinc/24/75/27/288247527.db2.gz XHTSEJNIXJQDFS-DTZQCDIJSA-N 2 1 250.430 2.872 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000248443322 281022579 /nfs/dbraw/zinc/02/25/79/281022579.db2.gz BBQUBXNYWVOFES-XYJFISCASA-N 2 1 296.499 2.837 10 0 CFAEMP CC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249454970 281058405 /nfs/dbraw/zinc/05/84/05/281058405.db2.gz DHPXMVSXOKPOSU-WBVHZDCISA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249454970 281058406 /nfs/dbraw/zinc/05/84/06/281058406.db2.gz DHPXMVSXOKPOSU-WBVHZDCISA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249454970 281058410 /nfs/dbraw/zinc/05/84/10/281058410.db2.gz DHPXMVSXOKPOSU-WBVHZDCISA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249454970 281058414 /nfs/dbraw/zinc/05/84/14/281058414.db2.gz DHPXMVSXOKPOSU-WBVHZDCISA-N 2 1 275.440 2.881 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCC(F)(F)CC1 ZINC000423373708 290007901 /nfs/dbraw/zinc/00/79/01/290007901.db2.gz JJSQPHUWMOFNSV-GMXVVIOVSA-N 2 1 260.372 2.931 10 0 CFAEMP CCCN1CC[NH+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052421995 519857563 /nfs/dbraw/zinc/85/75/63/519857563.db2.gz NDPOGSSZPMGMQW-UHFFFAOYSA-N 2 1 269.477 2.572 10 0 CFAEMP CC[N@@H+](C)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000052446106 520240610 /nfs/dbraw/zinc/24/06/10/520240610.db2.gz OEWXGJAYACKHKC-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CCCC[N@@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052418838 520479061 /nfs/dbraw/zinc/47/90/61/520479061.db2.gz WLPJVWNSLSUBMY-CABCVRRESA-N 2 1 256.434 2.654 10 0 CFAEMP CCC(C)(C)[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000069429430 521302575 /nfs/dbraw/zinc/30/25/75/521302575.db2.gz JSDZZEKAIWGDLU-UHFFFAOYSA-N 2 1 264.413 2.687 10 0 CFAEMP CCC[N@@H+](C)CCOc1cccc(C[NH2+]CC)c1 ZINC000052444501 521486158 /nfs/dbraw/zinc/48/61/58/521486158.db2.gz GDOUSVJYJRGORG-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP C[NH2+]Cc1cc(Cl)ccc1OCCn1cc[nH+]c1C ZINC000049329421 522111467 /nfs/dbraw/zinc/11/14/67/522111467.db2.gz FZILSBHSKTXUAG-UHFFFAOYSA-N 2 1 279.771 2.643 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815781 519686757 /nfs/dbraw/zinc/68/67/57/519686757.db2.gz JMPVLHHFSKQKQS-INIZCTEOSA-N 2 1 276.424 2.775 10 0 CFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180952 519719868 /nfs/dbraw/zinc/71/98/68/519719868.db2.gz MNSQGYJBFYXYHC-UHFFFAOYSA-N 2 1 290.451 2.913 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCN(C)CC1 ZINC000052419938 519727968 /nfs/dbraw/zinc/72/79/68/519727968.db2.gz VDQLXEMLIDWDKI-UHFFFAOYSA-N 2 1 289.467 2.711 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1CN(C)C1CC[NH+](C)CC1 ZINC000052419938 519727971 /nfs/dbraw/zinc/72/79/71/519727971.db2.gz VDQLXEMLIDWDKI-UHFFFAOYSA-N 2 1 289.467 2.711 10 0 CFAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503428 519744035 /nfs/dbraw/zinc/74/40/35/519744035.db2.gz UCQOZYGZKZKAIT-INIZCTEOSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503428 519744037 /nfs/dbraw/zinc/74/40/37/519744037.db2.gz UCQOZYGZKZKAIT-INIZCTEOSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382794 519747646 /nfs/dbraw/zinc/74/76/46/519747646.db2.gz JOSXQLSLLCHIHS-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382794 519747647 /nfs/dbraw/zinc/74/76/47/519747647.db2.gz JOSXQLSLLCHIHS-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1OCC[N@@H+](C)C1CC1 ZINC000052445374 519747780 /nfs/dbraw/zinc/74/77/80/519747780.db2.gz LGXYRMZBEFYSNS-UHFFFAOYSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@H+](C)CC(C)C)cs1 ZINC000052452428 519748366 /nfs/dbraw/zinc/74/83/66/519748366.db2.gz SZWVANSIQUWQKH-UHFFFAOYSA-N 2 1 269.458 2.977 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@@H+](C)CC(C)C)cs1 ZINC000052452428 519748368 /nfs/dbraw/zinc/74/83/68/519748368.db2.gz SZWVANSIQUWQKH-UHFFFAOYSA-N 2 1 269.458 2.977 10 0 CFAEMP CC[NH2+]C1CC[NH+]([C@@H](C)CCc2ccco2)CC1 ZINC000049568568 519908745 /nfs/dbraw/zinc/90/87/45/519908745.db2.gz OWHDSSJLNQFRQD-ZDUSSCGKSA-N 2 1 250.386 2.675 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181585 519911732 /nfs/dbraw/zinc/91/17/32/519911732.db2.gz BOFDHTWLKKCUPW-UHFFFAOYSA-N 2 1 282.453 2.586 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181585 519911734 /nfs/dbraw/zinc/91/17/34/519911734.db2.gz BOFDHTWLKKCUPW-UHFFFAOYSA-N 2 1 282.453 2.586 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425389 519936407 /nfs/dbraw/zinc/93/64/07/519936407.db2.gz NNDPXDNPKUBUEW-SJORKVTESA-N 2 1 294.414 2.805 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346229 519936621 /nfs/dbraw/zinc/93/66/21/519936621.db2.gz COXPNTXOVUCHOV-SJORKVTESA-N 2 1 294.414 2.805 10 0 CFAEMP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376264 519970190 /nfs/dbraw/zinc/97/01/90/519970190.db2.gz GXXRJJRMMRJOLE-HNNXBMFYSA-N 2 1 289.467 2.671 10 0 CFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCC(C)CC2)O1 ZINC000052345454 519977588 /nfs/dbraw/zinc/97/75/88/519977588.db2.gz FFTJRPYKSYDJON-FJBKBRRZSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000052381392 519999311 /nfs/dbraw/zinc/99/93/11/519999311.db2.gz VLZQLJYFVYSRBH-HNNXBMFYSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[NH2+]Cc1cccc(C[N@@H+](CCN(C)C)CC(C)C)c1 ZINC000052503307 520004235 /nfs/dbraw/zinc/00/42/35/520004235.db2.gz DDJFQXDBAJDJNV-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1cccc(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000052503307 520004242 /nfs/dbraw/zinc/00/42/42/520004242.db2.gz DDJFQXDBAJDJNV-UHFFFAOYSA-N 2 1 291.483 2.816 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCOC[C@H]1C ZINC000052475839 520029768 /nfs/dbraw/zinc/02/97/68/520029768.db2.gz QWGOWALGTPZIGK-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCOC[C@H]1C ZINC000052475839 520029773 /nfs/dbraw/zinc/02/97/73/520029773.db2.gz QWGOWALGTPZIGK-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045423634 520105356 /nfs/dbraw/zinc/10/53/56/520105356.db2.gz VHZRTOKFOSNPIK-ZMSDIMECSA-N 2 1 297.487 2.521 10 0 CFAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccsc2)[C@H](C)C1 ZINC000049713606 520216206 /nfs/dbraw/zinc/21/62/06/520216206.db2.gz VVPFUZUGFZSTAE-OCCSQVGLSA-N 2 1 252.427 2.753 10 0 CFAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccsc2)[C@H](C)C1 ZINC000049713606 520216213 /nfs/dbraw/zinc/21/62/13/520216213.db2.gz VVPFUZUGFZSTAE-OCCSQVGLSA-N 2 1 252.427 2.753 10 0 CFAEMP CCCC[N@H+](CC)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052418758 520478852 /nfs/dbraw/zinc/47/88/52/520478852.db2.gz ZQJUQULVJVJFMP-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CCCC[N@@H+](CC)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052418758 520478861 /nfs/dbraw/zinc/47/88/61/520478861.db2.gz ZQJUQULVJVJFMP-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CC1(C)C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052481913 520483264 /nfs/dbraw/zinc/48/32/64/520483264.db2.gz MDBMZLAOMRKSSZ-UHFFFAOYSA-N 2 1 274.408 2.549 10 0 CFAEMP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000049332304 520637669 /nfs/dbraw/zinc/63/76/69/520637669.db2.gz HTAPRAAPFPHIOI-INIZCTEOSA-N 2 1 269.477 2.572 10 0 CFAEMP CCC[C@@H](C)NC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049287614 520654833 /nfs/dbraw/zinc/65/48/33/520654833.db2.gz WPOOZBRRFIPSNV-OAHLLOKOSA-N 2 1 297.487 2.665 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]C)CCOCC1)C1CCCCC1 ZINC000052180530 520937043 /nfs/dbraw/zinc/93/70/43/520937043.db2.gz ASQUYNDZVXRZOJ-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239940 520957759 /nfs/dbraw/zinc/95/77/59/520957759.db2.gz CTMIWYJLVHVLQJ-KRWDZBQOSA-N 2 1 282.472 2.761 10 0 CFAEMP CC[N@H+](CC[C@H]([NH3+])c1ccc(F)cc1)CC1CC1 ZINC000069239900 521158154 /nfs/dbraw/zinc/15/81/54/521158154.db2.gz JUQJPOCTNKSNPA-HNNXBMFYSA-N 2 1 250.361 2.948 10 0 CFAEMP CC[N@@H+](CC[C@H]([NH3+])c1ccc(F)cc1)CC1CC1 ZINC000069239900 521158163 /nfs/dbraw/zinc/15/81/63/521158163.db2.gz JUQJPOCTNKSNPA-HNNXBMFYSA-N 2 1 250.361 2.948 10 0 CFAEMP CCCC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538841 521215584 /nfs/dbraw/zinc/21/55/84/521215584.db2.gz ANXOPOXHLWETGN-SKDRFNHKSA-N 2 1 255.431 2.928 10 0 CFAEMP CCC[C@](C)([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538843 521277626 /nfs/dbraw/zinc/27/76/26/521277626.db2.gz JYPIYYHITIUOSZ-ZANVPECISA-N 2 1 255.431 2.928 10 0 CFAEMP CCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052444504 521483901 /nfs/dbraw/zinc/48/39/01/521483901.db2.gz LZSAAWWLOSXEDS-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP CCOc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049551747 521504924 /nfs/dbraw/zinc/50/49/24/521504924.db2.gz BNPMBHMLILZXQX-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC(CC)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631028 521618261 /nfs/dbraw/zinc/61/82/61/521618261.db2.gz LEYBAZOILDZIAC-VGWMRTNUSA-N 2 1 282.472 2.756 10 0 CFAEMP CCc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052204677 521825529 /nfs/dbraw/zinc/82/55/29/521825529.db2.gz IFSHRWFLIKPJAA-IRXDYDNUSA-N 2 1 258.409 2.965 10 0 CFAEMP CCc1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052204677 521825537 /nfs/dbraw/zinc/82/55/37/521825537.db2.gz IFSHRWFLIKPJAA-IRXDYDNUSA-N 2 1 258.409 2.965 10 0 CFAEMP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000052517028 522017141 /nfs/dbraw/zinc/01/71/41/522017141.db2.gz UZUWDVBGZZLVRV-SECBINFHSA-N 2 1 291.258 2.940 10 0 CFAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052517028 522017148 /nfs/dbraw/zinc/01/71/48/522017148.db2.gz UZUWDVBGZZLVRV-SECBINFHSA-N 2 1 291.258 2.940 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052547195 522084222 /nfs/dbraw/zinc/08/42/22/522084222.db2.gz VECBJPUEZACCQL-CQSZACIVSA-N 2 1 258.450 2.902 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373079 522164665 /nfs/dbraw/zinc/16/46/65/522164665.db2.gz WJARODYRFMNMQU-OAHLLOKOSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+][C@@H](C)c1cc(C)ccc1OCCn1cc[nH+]c1C ZINC000049329522 522330474 /nfs/dbraw/zinc/33/04/74/522330474.db2.gz IWGWKPFSVNNCDX-ZDUSSCGKSA-N 2 1 273.380 2.859 10 0 CFAEMP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1C[N@@H+](C)CC1CC1 ZINC000054560070 522398420 /nfs/dbraw/zinc/39/84/20/522398420.db2.gz BPHAFNXYRJPVIN-HRCADAONSA-N 2 1 252.446 2.989 10 0 CFAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)c1ccc(F)cc1 ZINC000069397423 522475010 /nfs/dbraw/zinc/47/50/10/522475010.db2.gz SISARWKZTPTXGL-OAHLLOKOSA-N 2 1 287.382 2.911 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191786384 522595329 /nfs/dbraw/zinc/59/53/29/522595329.db2.gz LBFUMMZVCHGTER-MRXNPFEDSA-N 2 1 292.471 2.814 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191786384 522595339 /nfs/dbraw/zinc/59/53/39/522595339.db2.gz LBFUMMZVCHGTER-MRXNPFEDSA-N 2 1 292.471 2.814 10 0 CFAEMP CC[C@@H]([NH3+])c1ccccc1OCCn1cc[nH+]c1C ZINC000049329366 522658571 /nfs/dbraw/zinc/65/85/71/522658571.db2.gz WWJLVWAQPNRJQO-CQSZACIVSA-N 2 1 259.353 2.680 10 0 CFAEMP CC[C@@H]([NH2+]C)c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329502 522806609 /nfs/dbraw/zinc/80/66/09/522806609.db2.gz YHTHRIHKEVLUKB-MRXNPFEDSA-N 2 1 273.380 2.941 10 0 CFAEMP C[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231670665 523160235 /nfs/dbraw/zinc/16/02/35/523160235.db2.gz RXUYQRCDCJANPA-OAHLLOKOSA-N 2 1 285.391 2.916 10 0 CFAEMP C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231670665 523160241 /nfs/dbraw/zinc/16/02/41/523160241.db2.gz RXUYQRCDCJANPA-OAHLLOKOSA-N 2 1 285.391 2.916 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052181829 523251223 /nfs/dbraw/zinc/25/12/23/523251223.db2.gz RVFXWDWBLGNTKC-OAHLLOKOSA-N 2 1 280.456 2.657 10 0 CFAEMP COCC[N@@H+]([C@@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545477 523781736 /nfs/dbraw/zinc/78/17/36/523781736.db2.gz RZHVWBZSHIRODO-KBPBESRZSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[C@H](C)[N@@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052444155 523922689 /nfs/dbraw/zinc/92/26/89/523922689.db2.gz QAEAMYDKUFCHLX-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328119 523962906 /nfs/dbraw/zinc/96/29/06/523962906.db2.gz ZXEUQNNOTLSSPJ-WCQYABFASA-N 2 1 250.411 2.667 10 0 CFAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328116 523982680 /nfs/dbraw/zinc/98/26/80/523982680.db2.gz ZXEUQNNOTLSSPJ-DGCLKSJQSA-N 2 1 250.411 2.667 10 0 CFAEMP COc1ccc(C[N@@H+](C)CCCC[C@H](C)[NH3+])cc1 ZINC000045601290 524003045 /nfs/dbraw/zinc/00/30/45/524003045.db2.gz NOHNAFAFHMHTGG-ZDUSSCGKSA-N 2 1 250.386 2.645 10 0 CFAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052424015 524496160 /nfs/dbraw/zinc/49/61/60/524496160.db2.gz FEVHSRZNBVMGMC-AWEZNQCLSA-N 2 1 263.429 2.723 10 0 CFAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2sccc21 ZINC000061363762 524785262 /nfs/dbraw/zinc/78/52/62/524785262.db2.gz DNBQVSOZIQPMKP-GMXVVIOVSA-N 2 1 250.411 2.937 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CCO1 ZINC000052382322 524999695 /nfs/dbraw/zinc/99/96/95/524999695.db2.gz CWJLYNRKNGKFME-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CCO1 ZINC000052382322 524999709 /nfs/dbraw/zinc/99/97/09/524999709.db2.gz CWJLYNRKNGKFME-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000051016719 525523678 /nfs/dbraw/zinc/52/36/78/525523678.db2.gz SCTMWUSFYFVPIG-YPMHNXCESA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000051016719 525523681 /nfs/dbraw/zinc/52/36/81/525523681.db2.gz SCTMWUSFYFVPIG-YPMHNXCESA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@H](c1cccs1)[N@@H+](C)Cc1ccoc1C[NH3+] ZINC000052506697 526152261 /nfs/dbraw/zinc/15/22/61/526152261.db2.gz KSMCNHRKLMYGID-SNVBAGLBSA-N 2 1 250.367 2.993 10 0 CFAEMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@](C)([NH3+])C2CC2)s1 ZINC000049538830 526753005 /nfs/dbraw/zinc/75/30/05/526753005.db2.gz NTIYMKCGLKLAGW-ISVAXAHUSA-N 2 1 253.415 2.538 10 0 CFAEMP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484667 526774829 /nfs/dbraw/zinc/77/48/29/526774829.db2.gz HVKYIMHLLGAGPF-GFCCVEGCSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1oc(C[NH2+]C(C)C)cc1C[NH+]1CCSCC1 ZINC000052443303 526775062 /nfs/dbraw/zinc/77/50/62/526775062.db2.gz KUNJGWBZLKFMBR-UHFFFAOYSA-N 2 1 268.426 2.635 10 0 CFAEMP [NH3+]Cc1ccoc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373076 527261923 /nfs/dbraw/zinc/26/19/23/527261923.db2.gz IWVWCWJWEMTFPF-OAHLLOKOSA-N 2 1 256.349 2.728 10 0 CFAEMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466985 545499740 /nfs/dbraw/zinc/49/97/40/545499740.db2.gz YOKDBQMJUITVJA-HUUCEWRRSA-N 2 1 266.429 2.552 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc4ccccc34)C[C@@H]12 ZINC000261576895 618107514 /nfs/dbraw/zinc/10/75/14/618107514.db2.gz CJZDMZRBWMBEBS-KCPJHIHWSA-N 2 1 256.349 2.602 10 0 CFAEMP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399229814 619090829 /nfs/dbraw/zinc/09/08/29/619090829.db2.gz GHDTVMQAHJEHBE-JKSUJKDBSA-N 2 1 282.472 2.638 10 0 CFAEMP C[N@@H+](Cc1cncc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231465403 623349644 /nfs/dbraw/zinc/34/96/44/623349644.db2.gz PIJNAUSZDCRDSA-INIZCTEOSA-N 2 1 269.392 2.809 10 0 CFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818706 179347254 /nfs/dbraw/zinc/34/72/54/179347254.db2.gz IEFIPSHAECDESE-DOTOQJQBSA-N 2 1 260.425 3.000 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818845 179348683 /nfs/dbraw/zinc/34/86/83/179348683.db2.gz ISCGWZFNQUXEEV-ZFWWWQNUSA-N 2 1 292.423 2.839 10 0 CFAEMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817362 179344296 /nfs/dbraw/zinc/34/42/96/179344296.db2.gz WQEDXFIHSPHZHO-KGLIPLIRSA-N 2 1 250.386 2.675 10 0 CFAEMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817405 179344704 /nfs/dbraw/zinc/34/47/04/179344704.db2.gz MWLCTOBQSLGYKP-XJKSGUPXSA-N 2 1 289.423 2.780 10 0 CFAEMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817361 179345185 /nfs/dbraw/zinc/34/51/85/179345185.db2.gz WQEDXFIHSPHZHO-KBPBESRZSA-N 2 1 250.386 2.675 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086817573 179345808 /nfs/dbraw/zinc/34/58/08/179345808.db2.gz DXGVOERDBDRIPF-KBPBESRZSA-N 2 1 292.423 2.839 10 0 CFAEMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817573 179345810 /nfs/dbraw/zinc/34/58/10/179345810.db2.gz DXGVOERDBDRIPF-KBPBESRZSA-N 2 1 292.423 2.839 10 0 CFAEMP C[NH+](C)Cc1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818511 179346708 /nfs/dbraw/zinc/34/67/08/179346708.db2.gz NATSZTDQJMRFEM-HNNXBMFYSA-N 2 1 261.413 2.644 10 0 CFAEMP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818707 179346965 /nfs/dbraw/zinc/34/69/65/179346965.db2.gz IEFIPSHAECDESE-WBVHZDCISA-N 2 1 260.425 3.000 10 0 CFAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCCCC2)CC1 ZINC000086847299 179356011 /nfs/dbraw/zinc/35/60/11/179356011.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)C2CCCCCC2)CC1 ZINC000086847299 179356013 /nfs/dbraw/zinc/35/60/13/179356013.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)C2CCCCCC2)CC1 ZINC000086847299 179356017 /nfs/dbraw/zinc/35/60/17/179356017.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086847299 179356018 /nfs/dbraw/zinc/35/60/18/179356018.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086847299 179356020 /nfs/dbraw/zinc/35/60/20/179356020.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000086843971 179354645 /nfs/dbraw/zinc/35/46/45/179354645.db2.gz WATXNMLHNIHDFD-CQSZACIVSA-N 2 1 268.351 2.929 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000086843971 179354646 /nfs/dbraw/zinc/35/46/46/179354646.db2.gz WATXNMLHNIHDFD-CQSZACIVSA-N 2 1 268.351 2.929 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844298 179355572 /nfs/dbraw/zinc/35/55/72/179355572.db2.gz LFRYZYZIPXTCFE-INIZCTEOSA-N 2 1 282.378 2.971 10 0 CFAEMP C[N@@H+](CCC[NH2+]C[C@@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866605 348408281 /nfs/dbraw/zinc/40/82/81/348408281.db2.gz MVXJMRCFCLRHNK-MRXNPFEDSA-N 2 1 278.440 2.505 10 0 CFAEMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2N)C[N@H+]1Cc1ccccc1 ZINC000306581259 348389921 /nfs/dbraw/zinc/38/99/21/348389921.db2.gz OMTULPYBHFTGNT-UKRRQHHQSA-N 2 1 282.391 2.739 10 0 CFAEMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC000630565923 355113816 /nfs/dbraw/zinc/11/38/16/355113816.db2.gz CHTOTHQFSFYORO-WDEREUQCSA-N 2 1 275.783 2.919 10 0 CFAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381662517 540698306 /nfs/dbraw/zinc/69/83/06/540698306.db2.gz JXASEVMIIVWYBA-HZSPNIEDSA-N 2 1 272.383 2.743 10 0 CFAEMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000180892185 189282173 /nfs/dbraw/zinc/28/21/73/189282173.db2.gz PJRAOTUMQZWAHZ-DZGCQCFKSA-N 2 1 292.423 2.839 10 0 CFAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507924 190040186 /nfs/dbraw/zinc/04/01/86/190040186.db2.gz NWKPTWWOFZVAAU-DGCLKSJQSA-N 2 1 272.314 2.527 10 0 CFAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151326891 378317696 /nfs/dbraw/zinc/31/76/96/378317696.db2.gz ZDOCGFUTJDYJDL-IAGOWNOFSA-N 2 1 294.414 2.713 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)s1 ZINC000151342834 378318571 /nfs/dbraw/zinc/31/85/71/378318571.db2.gz RAHUZOHOXGUNTQ-KGLIPLIRSA-N 2 1 296.480 2.808 10 0 CFAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12CC[NH2+]C[C@H]2C ZINC000306159939 382454048 /nfs/dbraw/zinc/45/40/48/382454048.db2.gz SAXVOWYQSQSZGA-HLLBOEOZSA-N 2 1 258.409 2.897 10 0 CFAEMP C[C@H](CC[NH2+]C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000379657181 382507255 /nfs/dbraw/zinc/50/72/55/382507255.db2.gz RXLVZOBYDFJMHZ-FAEJEUNOSA-N 3 1 289.467 2.757 10 0 CFAEMP C[C@H](CC[NH2+]C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000379657181 382507261 /nfs/dbraw/zinc/50/72/61/382507261.db2.gz RXLVZOBYDFJMHZ-FAEJEUNOSA-N 2 1 289.467 2.757 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@](C)(CO)[NH2+]C(C)C ZINC000085216298 184605459 /nfs/dbraw/zinc/60/54/59/184605459.db2.gz AXWABTDVXUVCEH-OAHLLOKOSA-N 2 1 258.450 2.638 10 0 CFAEMP CSc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231457373 382865088 /nfs/dbraw/zinc/86/50/88/382865088.db2.gz FYOXJJPAEFORSF-AWEZNQCLSA-N 2 1 264.438 2.982 10 0 CFAEMP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCC[NH2+]C1 ZINC000233496877 382871750 /nfs/dbraw/zinc/87/17/50/382871750.db2.gz PBUUYKNMFOETMC-AWEZNQCLSA-N 2 1 292.423 2.525 10 0 CFAEMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCC[NH2+]C1 ZINC000233496877 382871751 /nfs/dbraw/zinc/87/17/51/382871751.db2.gz PBUUYKNMFOETMC-AWEZNQCLSA-N 2 1 292.423 2.525 10 0 CFAEMP Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000234358974 382874251 /nfs/dbraw/zinc/87/42/51/382874251.db2.gz MMDDSRJSUDRHIW-ZDUSSCGKSA-N 2 1 250.361 2.566 10 0 CFAEMP [NH3+]C[C@@H](Nc1cc[nH+]cc1Br)C1CCCC1 ZINC000236178258 382892722 /nfs/dbraw/zinc/89/27/22/382892722.db2.gz DIQSCBITYNMTDK-GFCCVEGCSA-N 2 1 284.201 2.774 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123873 383329343 /nfs/dbraw/zinc/32/93/43/383329343.db2.gz TXJJUHRZIFBZFS-SJORKVTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123873 383329345 /nfs/dbraw/zinc/32/93/45/383329345.db2.gz TXJJUHRZIFBZFS-SJORKVTESA-N 2 1 291.439 2.597 10 0 CFAEMP C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998794 383455358 /nfs/dbraw/zinc/45/53/58/383455358.db2.gz LDFBZXJRCLWQKO-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998794 383455362 /nfs/dbraw/zinc/45/53/62/383455362.db2.gz LDFBZXJRCLWQKO-ONGXEEELSA-N 2 1 256.752 2.506 10 0 CFAEMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998831 383455931 /nfs/dbraw/zinc/45/59/31/383455931.db2.gz LOXUEKNRVGXXEP-AAEUAGOBSA-N 2 1 258.365 2.768 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000261555848 383512055 /nfs/dbraw/zinc/51/20/55/383512055.db2.gz QCUQLSRHUOTVHG-VHRBIJSZSA-N 2 1 250.773 2.509 10 0 CFAEMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568334 383514851 /nfs/dbraw/zinc/51/48/51/383514851.db2.gz KBKTVBFHYCIDNB-ZFWWWQNUSA-N 2 1 264.388 2.688 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624311 383531214 /nfs/dbraw/zinc/53/12/14/383531214.db2.gz VCLIHZFMZQPKPM-XBVQOTNRSA-N 2 1 256.393 2.733 10 0 CFAEMP CC[N@H+](Cc1cn(C(C)C)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000261940815 383582809 /nfs/dbraw/zinc/58/28/09/383582809.db2.gz MRVUAUCHKNUIDH-INIZCTEOSA-N 2 1 278.444 2.736 10 0 CFAEMP CC[N@@H+](Cc1cn(C(C)C)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000261940815 383582812 /nfs/dbraw/zinc/58/28/12/383582812.db2.gz MRVUAUCHKNUIDH-INIZCTEOSA-N 2 1 278.444 2.736 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262031021 383597584 /nfs/dbraw/zinc/59/75/84/383597584.db2.gz XEYHEJZCSATHQB-KBAYOESNSA-N 2 1 286.419 2.645 10 0 CFAEMP CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261764337 383555829 /nfs/dbraw/zinc/55/58/29/383555829.db2.gz DDZQWQSCJLQGAT-MRXNPFEDSA-N 2 1 276.424 2.968 10 0 CFAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261823066 383565707 /nfs/dbraw/zinc/56/57/07/383565707.db2.gz IMVQFGJUGJGYDQ-BFHYXJOUSA-N 2 1 287.432 2.774 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1C ZINC000045171398 393569851 /nfs/dbraw/zinc/56/98/51/393569851.db2.gz ZOXGKNXTKBCFBQ-DOMZBBRYSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000045171435 393570078 /nfs/dbraw/zinc/57/00/78/393570078.db2.gz IBMUHBJZCRLPCM-WFASDCNBSA-N 2 1 290.455 2.655 10 0 CFAEMP CSCCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195279828 393736388 /nfs/dbraw/zinc/73/63/88/393736388.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279828 393736393 /nfs/dbraw/zinc/73/63/93/393736393.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279828 393736398 /nfs/dbraw/zinc/73/63/98/393736398.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279828 393736400 /nfs/dbraw/zinc/73/64/00/393736400.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CSCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279828 393736404 /nfs/dbraw/zinc/73/64/04/393736404.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 1 293.480 2.588 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000130220302 394105305 /nfs/dbraw/zinc/10/53/05/394105305.db2.gz FNSZLQZLDKEIED-VBNZEHGJSA-N 2 1 290.455 2.797 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000130220302 394105308 /nfs/dbraw/zinc/10/53/08/394105308.db2.gz FNSZLQZLDKEIED-VBNZEHGJSA-N 2 1 290.455 2.797 10 0 CFAEMP Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000178215880 394386709 /nfs/dbraw/zinc/38/67/09/394386709.db2.gz MGENZULJWWUDCI-CQSZACIVSA-N 2 1 285.366 2.967 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022151714 171358871 /nfs/dbraw/zinc/35/88/71/171358871.db2.gz ITFMOLQZMILQMF-CQSZACIVSA-N 2 1 289.423 2.596 10 0 CFAEMP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318121 414506338 /nfs/dbraw/zinc/50/63/38/414506338.db2.gz WJVYECKRQFLCSY-HUUCEWRRSA-N 2 1 278.444 2.803 10 0 CFAEMP Cc1cc[nH+]c(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656608284 414615646 /nfs/dbraw/zinc/61/56/46/414615646.db2.gz IPZPUCVUGZICJF-HNNXBMFYSA-N 2 1 259.397 2.606 10 0 CFAEMP CC(C)=CC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096361 174110137 /nfs/dbraw/zinc/11/01/37/174110137.db2.gz GHOCPZIQJTUNDQ-INIZCTEOSA-N 2 1 266.429 2.576 10 0 CFAEMP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040668685 174367743 /nfs/dbraw/zinc/36/77/43/174367743.db2.gz FWTZZAXRDBVBSW-XDNAFOTISA-N 2 1 295.515 2.817 10 0 CFAEMP CCC[N@@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748689 174393638 /nfs/dbraw/zinc/39/36/38/174393638.db2.gz NBVXLKFXBLHZLH-SJPCQFCGSA-N 2 1 273.424 2.619 10 0 CFAEMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428142 175041189 /nfs/dbraw/zinc/04/11/89/175041189.db2.gz RUZMEYBMIPJBAK-LSDHHAIUSA-N 2 1 254.418 2.539 10 0 CFAEMP CCCC[N@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817712 175112769 /nfs/dbraw/zinc/11/27/69/175112769.db2.gz ANJCADRUJSFMSJ-HOTGVXAUSA-N 2 1 298.471 2.772 10 0 CFAEMP CCCC[N@@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817712 175112770 /nfs/dbraw/zinc/11/27/70/175112770.db2.gz ANJCADRUJSFMSJ-HOTGVXAUSA-N 2 1 298.471 2.772 10 0 CFAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(CC)cc1 ZINC000043818443 175112861 /nfs/dbraw/zinc/11/28/61/175112861.db2.gz FHWNQQTXIXTTQY-SFHVURJKSA-N 2 1 289.467 2.537 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907289 175123111 /nfs/dbraw/zinc/12/31/11/175123111.db2.gz WRKWEUHHCFYLJZ-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H](C)CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911641 175123666 /nfs/dbraw/zinc/12/36/66/175123666.db2.gz QDVRQSCSDICBSN-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[NH2+][C@H](C)CC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911641 175123667 /nfs/dbraw/zinc/12/36/67/175123667.db2.gz QDVRQSCSDICBSN-CYBMUJFWSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043966772 175127939 /nfs/dbraw/zinc/12/79/39/175127939.db2.gz FXVSIVXWUVFHNO-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043966772 175127940 /nfs/dbraw/zinc/12/79/40/175127940.db2.gz FXVSIVXWUVFHNO-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CC)CC(CC)CC ZINC000043967111 175128648 /nfs/dbraw/zinc/12/86/48/175128648.db2.gz RFDKDPWRNNYBGN-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CC)CC(CC)CC ZINC000043967111 175128649 /nfs/dbraw/zinc/12/86/49/175128649.db2.gz RFDKDPWRNNYBGN-CVEARBPZSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970367 175131021 /nfs/dbraw/zinc/13/10/21/175131021.db2.gz KSDBZNDKJQTAQE-XHSDSOJGSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970807 175131973 /nfs/dbraw/zinc/13/19/73/175131973.db2.gz HPEFZYYGQPTYQN-IAGOWNOFSA-N 3 1 281.488 2.571 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973194 175133009 /nfs/dbraw/zinc/13/30/09/175133009.db2.gz QCPXHYHLRSKHBM-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977847 175133688 /nfs/dbraw/zinc/13/36/88/175133688.db2.gz DHJHHMRYFIUIPU-CWRNSKLLSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1OC ZINC000043994140 175136674 /nfs/dbraw/zinc/13/66/74/175136674.db2.gz HUAUQYMEJXQURE-OAHLLOKOSA-N 2 1 289.379 2.560 10 0 CFAEMP CCOc1ccccc1[C@@H](Cn1cc[nH+]c1CC)[NH2+]C ZINC000044037401 175139831 /nfs/dbraw/zinc/13/98/31/175139831.db2.gz YHQTUNONLHYEMD-CQSZACIVSA-N 2 1 273.380 2.805 10 0 CFAEMP C[N@H+]1CCC[C@H](Cn2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000044538214 175199664 /nfs/dbraw/zinc/19/96/64/175199664.db2.gz KLVRCUXDHXSAAM-JTQLQIEISA-N 2 1 278.787 2.614 10 0 CFAEMP Cc1cccc(NC(=O)CCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044559128 175203642 /nfs/dbraw/zinc/20/36/42/175203642.db2.gz KVQMEBYGXLDZBI-MRXNPFEDSA-N 2 1 289.423 2.527 10 0 CFAEMP Cc1cccc(NC(=O)CCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044559128 175203643 /nfs/dbraw/zinc/20/36/43/175203643.db2.gz KVQMEBYGXLDZBI-MRXNPFEDSA-N 2 1 289.423 2.527 10 0 CFAEMP CC(C)C[C@H]1CSC(NC[C@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563829 175207756 /nfs/dbraw/zinc/20/77/56/175207756.db2.gz FBTFJIXHLHOKDE-QWHCGFSZSA-N 2 1 269.458 2.578 10 0 CFAEMP [NH3+][C@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675791 175227113 /nfs/dbraw/zinc/22/71/13/175227113.db2.gz YGKIGFDLESUMLI-RCCFBDPRSA-N 2 1 266.388 2.702 10 0 CFAEMP CCC[NH2+][C@H]1CC[N@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107839 175308505 /nfs/dbraw/zinc/30/85/05/175308505.db2.gz JXTVYBAVZQPJCL-HOTGVXAUSA-N 2 1 270.461 2.759 10 0 CFAEMP CCC[NH2+][C@H]1CC[N@@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107839 175308506 /nfs/dbraw/zinc/30/85/06/175308506.db2.gz JXTVYBAVZQPJCL-HOTGVXAUSA-N 2 1 270.461 2.759 10 0 CFAEMP CC(C)C[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136121 175313333 /nfs/dbraw/zinc/31/33/33/175313333.db2.gz ORRYIGDBZDCKBB-KBPBESRZSA-N 2 1 283.485 2.824 10 0 CFAEMP CC(C)C[C@@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136120 175313506 /nfs/dbraw/zinc/31/35/06/175313506.db2.gz ORRYIGDBZDCKBB-UONOGXRCSA-N 2 1 283.485 2.824 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000045168311 175319270 /nfs/dbraw/zinc/31/92/70/175319270.db2.gz BCKSHQUJOATKFD-CYBMUJFWSA-N 2 1 278.444 2.564 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000045171943 175321043 /nfs/dbraw/zinc/32/10/43/175321043.db2.gz MCECWUOUXUTROG-KGLIPLIRSA-N 2 1 292.471 2.810 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000045172114 175321756 /nfs/dbraw/zinc/32/17/56/175321756.db2.gz IMPFYTHPAMKMDI-BBRMVZONSA-N 2 1 292.471 2.901 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000045172114 175321758 /nfs/dbraw/zinc/32/17/58/175321758.db2.gz IMPFYTHPAMKMDI-BBRMVZONSA-N 2 1 292.471 2.901 10 0 CFAEMP CCCCC[N@H+](CC[C@](C)([NH2+]CCC)C(N)=O)C(C)C ZINC000045278645 175349407 /nfs/dbraw/zinc/34/94/07/175349407.db2.gz SDZMGYWDKOHOAG-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCCC[N@@H+](CC[C@](C)([NH2+]CCC)C(N)=O)C(C)C ZINC000045278645 175349408 /nfs/dbraw/zinc/34/94/08/175349408.db2.gz SDZMGYWDKOHOAG-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045368246 175363232 /nfs/dbraw/zinc/36/32/32/175363232.db2.gz CPIVFYVNSGNQBE-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045368246 175363233 /nfs/dbraw/zinc/36/32/33/175363233.db2.gz CPIVFYVNSGNQBE-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045370468 175364182 /nfs/dbraw/zinc/36/41/82/175364182.db2.gz ADCLBFLESNUESN-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045370468 175364183 /nfs/dbraw/zinc/36/41/83/175364183.db2.gz ADCLBFLESNUESN-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045370546 175364430 /nfs/dbraw/zinc/36/44/30/175364430.db2.gz HUWDCQARIAPFKC-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375855 175366153 /nfs/dbraw/zinc/36/61/53/175366153.db2.gz YSZMRKDCTSKUIR-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH+](CCC)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045378612 175367773 /nfs/dbraw/zinc/36/77/73/175367773.db2.gz JPOJYCCSNBMWGC-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382224 175371159 /nfs/dbraw/zinc/37/11/59/175371159.db2.gz JKDDWRQVPLENBM-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382224 175371161 /nfs/dbraw/zinc/37/11/61/175371161.db2.gz JKDDWRQVPLENBM-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C(C)C ZINC000045383885 175371371 /nfs/dbraw/zinc/37/13/71/175371371.db2.gz NQVATCOTODMAPR-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C(C)C ZINC000045383885 175371372 /nfs/dbraw/zinc/37/13/72/175371372.db2.gz NQVATCOTODMAPR-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385334 175372073 /nfs/dbraw/zinc/37/20/73/175372073.db2.gz WOZOHHROHHQABZ-HOCLYGCPSA-N 2 1 285.476 2.521 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384926 175372112 /nfs/dbraw/zinc/37/21/12/175372112.db2.gz FBKRIFOJMLENIK-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384926 175372113 /nfs/dbraw/zinc/37/21/13/175372113.db2.gz FBKRIFOJMLENIK-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390474 175374626 /nfs/dbraw/zinc/37/46/26/175374626.db2.gz RBUKBVOIHRTURA-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390474 175374627 /nfs/dbraw/zinc/37/46/27/175374627.db2.gz RBUKBVOIHRTURA-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421025 175380240 /nfs/dbraw/zinc/38/02/40/175380240.db2.gz LTABGUNLLXYTNJ-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421025 175380242 /nfs/dbraw/zinc/38/02/42/175380242.db2.gz LTABGUNLLXYTNJ-BBRMVZONSA-N 2 1 286.460 2.674 10 0 CFAEMP C[C@@H]1C[N@H+](CCC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000071401593 176153803 /nfs/dbraw/zinc/15/38/03/176153803.db2.gz HNTYXJCOFNBEDC-LZWOXQAQSA-N 2 1 262.397 2.576 10 0 CFAEMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000390686225 262240915 /nfs/dbraw/zinc/24/09/15/262240915.db2.gz YAPZCXHTYXLPFD-RLHTVVPMSA-N 2 1 287.451 2.507 10 0 CFAEMP COc1cccc2c(N3C[C@@H](C)[C@@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000301683730 274150563 /nfs/dbraw/zinc/15/05/63/274150563.db2.gz SVDUVBMSIBRZQE-WBMJQRKESA-N 2 1 299.418 2.938 10 0 CFAEMP C[NH+]1CCC([N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000032598309 277028385 /nfs/dbraw/zinc/02/83/85/277028385.db2.gz UHDZCYDSHIGQCV-HNNXBMFYSA-N 2 1 250.430 2.983 10 0 CFAEMP C[NH+]1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000032598309 277028386 /nfs/dbraw/zinc/02/83/86/277028386.db2.gz UHDZCYDSHIGQCV-HNNXBMFYSA-N 2 1 250.430 2.983 10 0 CFAEMP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1Br ZINC000164075893 279328501 /nfs/dbraw/zinc/32/85/01/279328501.db2.gz YQPLJEZTIGETLZ-NSHDSACASA-N 2 1 298.228 2.765 10 0 CFAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1Br ZINC000164075893 279328503 /nfs/dbraw/zinc/32/85/03/279328503.db2.gz YQPLJEZTIGETLZ-NSHDSACASA-N 2 1 298.228 2.765 10 0 CFAEMP CC(C)[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480097 519682709 /nfs/dbraw/zinc/68/27/09/519682709.db2.gz YYAWDAVECQIPEG-HNNXBMFYSA-N 2 1 269.477 2.569 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)CC(C)(C)C)O1 ZINC000052570187 519725848 /nfs/dbraw/zinc/72/58/48/519725848.db2.gz VBDWELGMNCYRHL-ZIAGYGMSSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257160 519742953 /nfs/dbraw/zinc/74/29/53/519742953.db2.gz QTJOQJXEKGBMND-INIZCTEOSA-N 2 1 282.472 2.639 10 0 CFAEMP CC(C)C[NH2+]Cc1coc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000052484547 519748553 /nfs/dbraw/zinc/74/85/53/519748553.db2.gz OBYUIPMHYGWXEL-ZDUSSCGKSA-N 2 1 250.386 2.867 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382931 519745683 /nfs/dbraw/zinc/74/56/83/519745683.db2.gz TUHJCPDVUYHZBM-ZDUSSCGKSA-N 2 1 266.454 2.988 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382931 519745684 /nfs/dbraw/zinc/74/56/84/519745684.db2.gz TUHJCPDVUYHZBM-ZDUSSCGKSA-N 2 1 266.454 2.988 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180796 519910323 /nfs/dbraw/zinc/91/03/23/519910323.db2.gz UDSMTIOBVKMSDG-OAHLLOKOSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)[C@@H](C)CC)O1 ZINC000052451470 519923830 /nfs/dbraw/zinc/92/38/30/519923830.db2.gz VWKWJIQBBCBVFE-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC)O1 ZINC000052447825 519926637 /nfs/dbraw/zinc/92/66/37/519926637.db2.gz RKOQWUZRMOQHOE-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)[C@H](C)CC)on1 ZINC000052451147 519946121 /nfs/dbraw/zinc/94/61/21/519946121.db2.gz LVUQZFDCQVKKQL-GFCCVEGCSA-N 2 1 253.390 2.795 10 0 CFAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453542 519995083 /nfs/dbraw/zinc/99/50/83/519995083.db2.gz BBQZWUFHDXNPEK-OAHLLOKOSA-N 2 1 264.438 2.733 10 0 CFAEMP CCC[NH2+][C@H](C)CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643372 520061237 /nfs/dbraw/zinc/06/12/37/520061237.db2.gz ZYXYBNKLQVAQAU-HZPDHXFCSA-N 2 1 269.477 2.571 10 0 CFAEMP CCCC[N@@H+](C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180918 520398117 /nfs/dbraw/zinc/39/81/17/520398117.db2.gz PQKKEHCPTXBDFX-UHFFFAOYSA-N 2 1 256.434 2.515 10 0 CFAEMP CCC(CC)[N@H+](CCOC)[C@H](C)C[NH2+]C(C)(C)C ZINC000052573287 521562979 /nfs/dbraw/zinc/56/29/79/521562979.db2.gz DHANXGPBPVKNHL-CYBMUJFWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@H](C)C[NH2+]C(C)(C)C ZINC000052573287 521562984 /nfs/dbraw/zinc/56/29/84/521562984.db2.gz DHANXGPBPVKNHL-CYBMUJFWSA-N 2 1 258.450 2.900 10 0 CFAEMP C[NH2+]Cc1coc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000052416553 522148930 /nfs/dbraw/zinc/14/89/30/522148930.db2.gz DKGDGYVVFHDUML-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1coc(C[N@H+]2CCc3sccc3C2)c1 ZINC000052416553 522148935 /nfs/dbraw/zinc/14/89/35/522148935.db2.gz DKGDGYVVFHDUML-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C(C[C@H]1CCCC[NH2+]1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000050953003 518396955 /nfs/dbraw/zinc/39/69/55/518396955.db2.gz VXRFGKMQKVSBBH-QGZVFWFLSA-N 2 1 293.499 2.859 10 0 CFAEMP CC(C)[N@@H+](Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052180944 519658352 /nfs/dbraw/zinc/65/83/52/519658352.db2.gz OODGGYKGCUBGHH-UHFFFAOYSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)[N@@H+](Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183353 519661908 /nfs/dbraw/zinc/66/19/08/519661908.db2.gz NSKZOKXDHMUFEO-UHFFFAOYSA-N 2 1 282.453 2.714 10 0 CFAEMP CC(C)CCOCC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000049265498 519668969 /nfs/dbraw/zinc/66/89/69/519668969.db2.gz YSHLRMBZPLJBOM-MRXNPFEDSA-N 2 1 270.461 2.903 10 0 CFAEMP CC(C)C[N@@H+](CCCCC[NH2+]C(C)C)CCN(C)C ZINC000052503379 519715305 /nfs/dbraw/zinc/71/53/05/519715305.db2.gz NUXSHDWCAJONOT-UHFFFAOYSA-N 2 1 271.493 2.674 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052503319 519716782 /nfs/dbraw/zinc/71/67/82/519716782.db2.gz FAFVMYGMIYCJMH-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052503319 519716784 /nfs/dbraw/zinc/71/67/84/519716784.db2.gz FAFVMYGMIYCJMH-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011845 519725377 /nfs/dbraw/zinc/72/53/77/519725377.db2.gz QUTPBLAFTJHQKY-OAHLLOKOSA-N 2 1 264.388 2.688 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183420 519742750 /nfs/dbraw/zinc/74/27/50/519742750.db2.gz IOBGVFUBIKNXRF-UHFFFAOYSA-N 2 1 294.439 2.754 10 0 CFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183420 519742751 /nfs/dbraw/zinc/74/27/51/519742751.db2.gz IOBGVFUBIKNXRF-UHFFFAOYSA-N 2 1 294.439 2.754 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011827 519745047 /nfs/dbraw/zinc/74/50/47/519745047.db2.gz NCBLWPDCGQXWDD-INIZCTEOSA-N 2 1 278.415 2.936 10 0 CFAEMP CC(C)C[NH2+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425537 519747984 /nfs/dbraw/zinc/74/79/84/519747984.db2.gz ZPCLZFKZCCLWJQ-UHFFFAOYSA-N 2 1 268.426 2.574 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CC)CC(C)C)CCOCC1 ZINC000052181222 519910024 /nfs/dbraw/zinc/91/00/24/519910024.db2.gz DVFUKQHGKXRZDT-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccccc2C)CCOCC1 ZINC000052183538 519912236 /nfs/dbraw/zinc/91/22/36/519912236.db2.gz CBEFRTNUDSXAFZ-UHFFFAOYSA-N 2 1 290.451 2.833 10 0 CFAEMP CCC[NH2+]CCCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541528 519912548 /nfs/dbraw/zinc/91/25/48/519912548.db2.gz BVEUXDGRPVCROX-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182065 519912549 /nfs/dbraw/zinc/91/25/49/519912549.db2.gz FEGLKFPGPDFSTB-CABCVRRESA-N 2 1 268.445 2.513 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382916 519920248 /nfs/dbraw/zinc/92/02/48/519920248.db2.gz GWUZHTMYFUUFCV-GFCCVEGCSA-N 2 1 252.427 2.742 10 0 CFAEMP CCC[NH2+]C[C@@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382916 519920249 /nfs/dbraw/zinc/92/02/49/519920249.db2.gz GWUZHTMYFUUFCV-GFCCVEGCSA-N 2 1 252.427 2.742 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@H+](C)[C@H](C)CC)cs1 ZINC000052443929 519964429 /nfs/dbraw/zinc/96/44/29/519964429.db2.gz VBSAMGMXTCFHEQ-LLVKDONJSA-N 2 1 255.431 2.873 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@H](C)CC)cs1 ZINC000052443929 519964447 /nfs/dbraw/zinc/96/44/47/519964447.db2.gz VBSAMGMXTCFHEQ-LLVKDONJSA-N 2 1 255.431 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[NH+]2CCC(C)(C)CC2)cs1 ZINC000061823300 520019958 /nfs/dbraw/zinc/01/99/58/520019958.db2.gz YZGAEBDUEWABNO-UHFFFAOYSA-N 2 1 267.442 2.875 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@H]2CC)cs1 ZINC000052374761 520020326 /nfs/dbraw/zinc/02/03/26/520020326.db2.gz SKTOKSHLAXLYQA-GFCCVEGCSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[NH2+]Cc1nc(C[NH+]2CCCCCC2)cs1 ZINC000052381716 520021972 /nfs/dbraw/zinc/02/19/72/520021972.db2.gz AKMNLLLSCLIUOP-UHFFFAOYSA-N 2 1 253.415 2.629 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382404 520030199 /nfs/dbraw/zinc/03/01/99/520030199.db2.gz WHJQBIRFYCSQKN-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CC[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](C)C1 ZINC000052382404 520030213 /nfs/dbraw/zinc/03/02/13/520030213.db2.gz WHJQBIRFYCSQKN-CYBMUJFWSA-N 2 1 288.391 2.763 10 0 CFAEMP CCCCC[N@@H+](CC1(C[NH3+])CCOCC1)C(C)C ZINC000052183273 520160538 /nfs/dbraw/zinc/16/05/38/520160538.db2.gz CJDIRTBVXDVRLU-UHFFFAOYSA-N 2 1 256.434 2.643 10 0 CFAEMP CCC[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052444380 521502258 /nfs/dbraw/zinc/50/22/58/521502258.db2.gz OZLZZZGEVWFNIH-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CCC[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052444380 521502262 /nfs/dbraw/zinc/50/22/62/521502262.db2.gz OZLZZZGEVWFNIH-UHFFFAOYSA-N 2 1 255.431 2.731 10 0 CFAEMP CCC(CC)C[N@@H+](CC)CC1(C[NH2+]C)CCOCC1 ZINC000052182940 521520441 /nfs/dbraw/zinc/52/04/41/521520441.db2.gz WWKJMMRMQAQWJO-UHFFFAOYSA-N 2 1 270.461 2.761 10 0 CFAEMP CCC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052181411 521618920 /nfs/dbraw/zinc/61/89/20/521618920.db2.gz JMSASZOXIHCVPS-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2Cl)C1 ZINC000310356456 521650038 /nfs/dbraw/zinc/65/00/38/521650038.db2.gz IJGWQAPWYGYQEE-NSHDSACASA-N 2 1 253.777 2.940 10 0 CFAEMP CCC[N@@H+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049311736 521668901 /nfs/dbraw/zinc/66/89/01/521668901.db2.gz AQEZPGSVLUDSQW-FUNVUKJBSA-N 2 1 294.361 2.560 10 0 CFAEMP CCC[N@@H+](Cc1cc(C[NH3+])ccc1OC)C(C)C ZINC000050124612 521681464 /nfs/dbraw/zinc/68/14/64/521681464.db2.gz QJUOINUYOXGXPI-UHFFFAOYSA-N 2 1 250.386 2.774 10 0 CFAEMP CC[C@H](C)[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538768 521957225 /nfs/dbraw/zinc/95/72/25/521957225.db2.gz WIOJEKBHOWOJOR-HOTUBEGUSA-N 2 1 255.431 2.784 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454092 521970626 /nfs/dbraw/zinc/97/06/26/521970626.db2.gz OZVKRMKNQWUQFA-GFCCVEGCSA-N 2 1 253.390 2.651 10 0 CFAEMP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000052482542 522107762 /nfs/dbraw/zinc/10/77/62/522107762.db2.gz OZCYYQGWXMPBPV-DOMZBBRYSA-N 2 1 263.385 2.549 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000052482542 522107768 /nfs/dbraw/zinc/10/77/68/522107768.db2.gz OZCYYQGWXMPBPV-DOMZBBRYSA-N 2 1 263.385 2.549 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+]1CCc2sccc2C1 ZINC000052382982 522164248 /nfs/dbraw/zinc/16/42/48/522164248.db2.gz MJNSSISTTVJQLD-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+]1CCc2sccc2C1 ZINC000052382982 522164253 /nfs/dbraw/zinc/16/42/53/522164253.db2.gz MJNSSISTTVJQLD-UHFFFAOYSA-N 2 1 262.378 2.619 10 0 CFAEMP CC[C@@H](C[NH2+]C1CC1)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416946 522546089 /nfs/dbraw/zinc/54/60/89/522546089.db2.gz YZGDHZZTPZMEHV-ZWKOTPCHSA-N 2 1 287.451 2.506 10 0 CFAEMP COC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052511474 522592936 /nfs/dbraw/zinc/59/29/36/522592936.db2.gz XZQKMTUUGJQHMO-LBPRGKRZSA-N 2 1 268.401 2.553 10 0 CFAEMP CN1CCC([N@H+](C)Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052419941 523478550 /nfs/dbraw/zinc/47/85/50/523478550.db2.gz CAEKQFOPHWTKEJ-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP CN1CCC([N@@H+](C)Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052419941 523478557 /nfs/dbraw/zinc/47/85/57/523478557.db2.gz CAEKQFOPHWTKEJ-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP COCC[N@@H+](CC(C)C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052508646 523682218 /nfs/dbraw/zinc/68/22/18/523682218.db2.gz VYUVVGMXERZFBK-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP COCC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000050953597 523697042 /nfs/dbraw/zinc/69/70/42/523697042.db2.gz DYTVPYQRNUXMRA-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052451476 523934584 /nfs/dbraw/zinc/93/45/84/523934584.db2.gz KHCGJCAMAPGAQT-ZNMIVQPWSA-N 2 1 256.434 2.652 10 0 CFAEMP CC[C@H](C)[N@@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181385 523934421 /nfs/dbraw/zinc/93/44/21/523934421.db2.gz BCDGJZVWMATTNH-HNNXBMFYSA-N 2 1 270.461 2.902 10 0 CFAEMP C[C@H]1CCC[C@](CNCC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205807 524223647 /nfs/dbraw/zinc/22/36/47/524223647.db2.gz AWDWVTMSBAZWDL-BZSNNMDCSA-N 2 1 295.515 2.961 10 0 CFAEMP COc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053011716 524455485 /nfs/dbraw/zinc/45/54/85/524455485.db2.gz ZZZJVQKYLZPRID-CQSZACIVSA-N 2 1 262.397 2.515 10 0 CFAEMP COc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053011716 524455497 /nfs/dbraw/zinc/45/54/97/524455497.db2.gz ZZZJVQKYLZPRID-CQSZACIVSA-N 2 1 262.397 2.515 10 0 CFAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)CCc1ccncc1 ZINC000052483065 524477731 /nfs/dbraw/zinc/47/77/31/524477731.db2.gz SNTOALVKHIHNOC-CQSZACIVSA-N 2 1 263.429 2.580 10 0 CFAEMP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049156030 524763236 /nfs/dbraw/zinc/76/32/36/524763236.db2.gz DTUVGODIKOGNJM-UMVBOHGHSA-N 2 1 266.454 2.999 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)C[C@H](C)O1 ZINC000052380264 525000720 /nfs/dbraw/zinc/00/07/20/525000720.db2.gz MPQAKRABSWKEIF-OKILXGFUSA-N 2 1 274.408 2.548 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)C[C@H](C)O1 ZINC000052380264 525000731 /nfs/dbraw/zinc/00/07/31/525000731.db2.gz MPQAKRABSWKEIF-OKILXGFUSA-N 2 1 274.408 2.548 10 0 CFAEMP C[C@@H]1COCC[N@@H+]1Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052476108 525126175 /nfs/dbraw/zinc/12/61/75/525126175.db2.gz GNZZNCADOTVISK-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1COCC[N@H+]1Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052476108 525126181 /nfs/dbraw/zinc/12/61/81/525126181.db2.gz GNZZNCADOTVISK-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1COCC[N@@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052475945 525127997 /nfs/dbraw/zinc/12/79/97/525127997.db2.gz XDQIEMVNLFNFKL-LLVKDONJSA-N 2 1 276.405 2.581 10 0 CFAEMP C[C@@H]1COCC[N@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052475945 525128005 /nfs/dbraw/zinc/12/80/05/525128005.db2.gz XDQIEMVNLFNFKL-LLVKDONJSA-N 2 1 276.405 2.581 10 0 CFAEMP COc1cccc(C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)C)c1 ZINC000052372976 525918219 /nfs/dbraw/zinc/91/82/19/525918219.db2.gz VBWNURQBNXRJID-AWEZNQCLSA-N 2 1 264.413 2.904 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425322 526768735 /nfs/dbraw/zinc/76/87/35/526768735.db2.gz OZFMOANJWLKBEM-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000052425322 526768738 /nfs/dbraw/zinc/76/87/38/526768738.db2.gz OZFMOANJWLKBEM-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Clc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261995543 526976428 /nfs/dbraw/zinc/97/64/28/526976428.db2.gz TZJSVUGJGHJXFJ-OAGGEKHMSA-N 2 1 294.826 2.587 10 0 CFAEMP [NH3+]C1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000055144422 527140303 /nfs/dbraw/zinc/14/03/03/527140303.db2.gz CNPCRAYPFIYFJJ-KPPDAEKUSA-N 2 1 250.308 2.531 10 0 CFAEMP [NH3+]Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000052373091 527264980 /nfs/dbraw/zinc/26/49/80/527264980.db2.gz PTZWXUDVXBARRT-ZDUSSCGKSA-N 2 1 273.405 2.591 10 0 CFAEMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697417 618285443 /nfs/dbraw/zinc/28/54/43/618285443.db2.gz CAEUMVPNBPGADH-KURKYZTESA-N 2 1 288.435 2.574 10 0 CFAEMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261772132 618426671 /nfs/dbraw/zinc/42/66/71/618426671.db2.gz DSWLINRWIQFNBT-SJORKVTESA-N 2 1 287.451 2.587 10 0 CFAEMP c1ccc(COc2ccc(CC[NH2+][C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000261558339 619170304 /nfs/dbraw/zinc/17/03/04/619170304.db2.gz YEACCTUBWUAKCO-GOSISDBHSA-N 2 1 296.414 2.760 10 0 CFAEMP CCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262002900 619364141 /nfs/dbraw/zinc/36/41/41/619364141.db2.gz USBOKBPOORPVON-YWWDTZIBSA-N 2 1 280.456 2.702 10 0 CFAEMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124938523 187162345 /nfs/dbraw/zinc/16/23/45/187162345.db2.gz KNGHMUWFNJLOOD-CQSZACIVSA-N 2 1 269.392 2.618 10 0 CFAEMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000124938523 187162346 /nfs/dbraw/zinc/16/23/46/187162346.db2.gz KNGHMUWFNJLOOD-CQSZACIVSA-N 2 1 269.392 2.618 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151257430 529706512 /nfs/dbraw/zinc/70/65/12/529706512.db2.gz BWURHMANTONQLH-CRAIPNDOSA-N 2 1 290.451 2.746 10 0 CFAEMP CC[NH2+][C@@](C)(CO)CCC[N@@H+](C)C1CCC(C)CC1 ZINC000085243792 178988075 /nfs/dbraw/zinc/98/80/75/178988075.db2.gz DSUHIPZDUDKFNY-UYSNPLJNSA-N 2 1 270.461 2.638 10 0 CFAEMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234263 346315534 /nfs/dbraw/zinc/31/55/34/346315534.db2.gz KAXQIIGCHQPXCF-ROUUACIJSA-N 2 1 266.388 2.861 10 0 CFAEMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041304 346336528 /nfs/dbraw/zinc/33/65/28/346336528.db2.gz FQWJGNJGJWGXFM-CYBMUJFWSA-N 2 1 262.397 2.876 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817388 179344485 /nfs/dbraw/zinc/34/44/85/179344485.db2.gz MAJPOLOTHHIASP-IUODEOHRSA-N 2 1 250.361 2.961 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000086817239 179345238 /nfs/dbraw/zinc/34/52/38/179345238.db2.gz LRWUAQVOFALFPT-HNNXBMFYSA-N 2 1 266.816 2.956 10 0 CFAEMP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818651 179347141 /nfs/dbraw/zinc/34/71/41/179347141.db2.gz RMUKWALHHZYZHG-ZFWWWQNUSA-N 2 1 262.397 2.830 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357732 /nfs/dbraw/zinc/35/77/32/179357732.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[NH+]1CCC(N[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086836812 179351988 /nfs/dbraw/zinc/35/19/88/179351988.db2.gz ZRFBYNXUVDQGKN-MRXNPFEDSA-N 2 1 281.488 2.713 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086836812 179351989 /nfs/dbraw/zinc/35/19/89/179351989.db2.gz ZRFBYNXUVDQGKN-MRXNPFEDSA-N 3 1 281.488 2.713 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086836812 179351992 /nfs/dbraw/zinc/35/19/92/179351992.db2.gz ZRFBYNXUVDQGKN-MRXNPFEDSA-N 3 1 281.488 2.713 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357723 /nfs/dbraw/zinc/35/77/23/179357723.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357725 /nfs/dbraw/zinc/35/77/25/179357725.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357728 /nfs/dbraw/zinc/35/77/28/179357728.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357730 /nfs/dbraw/zinc/35/77/30/179357730.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 1 281.488 2.844 10 0 CFAEMP N[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000225918410 348180455 /nfs/dbraw/zinc/18/04/55/348180455.db2.gz QGTKUBTUMAIBIK-MOPGFXCFSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000225918410 348180461 /nfs/dbraw/zinc/18/04/61/348180461.db2.gz QGTKUBTUMAIBIK-MOPGFXCFSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000225918410 348180465 /nfs/dbraw/zinc/18/04/65/348180465.db2.gz QGTKUBTUMAIBIK-MOPGFXCFSA-N 2 1 278.399 2.930 10 0 CFAEMP Clc1c[nH+]ccc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000310756040 348410539 /nfs/dbraw/zinc/41/05/39/348410539.db2.gz XCVCAJMWCKGSJY-UHFFFAOYSA-N 2 1 265.788 2.705 10 0 CFAEMP [NH3+][C@]12CN(Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000584630939 348695528 /nfs/dbraw/zinc/69/55/28/348695528.db2.gz QGTKUBTUMAIBIK-RBUKOAKNSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@]12C[N@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000584630939 348695532 /nfs/dbraw/zinc/69/55/32/348695532.db2.gz QGTKUBTUMAIBIK-RBUKOAKNSA-N 2 1 278.399 2.930 10 0 CFAEMP [NH3+][C@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000584630939 348695535 /nfs/dbraw/zinc/69/55/35/348695535.db2.gz QGTKUBTUMAIBIK-RBUKOAKNSA-N 2 1 278.399 2.930 10 0 CFAEMP Cc1ncsc1C[N@H+](C)Cc1ccccc1C[NH3+] ZINC000104444492 186003790 /nfs/dbraw/zinc/00/37/90/186003790.db2.gz XBNCUAPIEIHIOR-UHFFFAOYSA-N 2 1 261.394 2.542 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1c1ccccc1 ZINC000398930934 539765879 /nfs/dbraw/zinc/76/58/79/539765879.db2.gz QYKFJHHCFCGKMF-SJORKVTESA-N 2 1 258.409 2.851 10 0 CFAEMP NCC[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616627290 352389720 /nfs/dbraw/zinc/38/97/20/352389720.db2.gz GSGSVJPSOFCPDH-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP NCC[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616627290 352389727 /nfs/dbraw/zinc/38/97/27/352389727.db2.gz GSGSVJPSOFCPDH-CQSZACIVSA-N 2 1 269.392 2.763 10 0 CFAEMP C[NH2+]CCOCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000630530436 355104782 /nfs/dbraw/zinc/10/47/82/355104782.db2.gz JVBJCEHRZWWBNL-UHFFFAOYSA-N 2 1 279.771 2.536 10 0 CFAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839430 355601895 /nfs/dbraw/zinc/60/18/95/355601895.db2.gz GGTBHWBVUCSIOJ-DOMZBBRYSA-N 2 1 269.392 2.570 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840525 355603137 /nfs/dbraw/zinc/60/31/37/355603137.db2.gz SYTUZBMIRYQPOU-OSAQELSMSA-N 2 1 250.361 2.803 10 0 CFAEMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000381724168 540699417 /nfs/dbraw/zinc/69/94/17/540699417.db2.gz RXOAPRDPXCTEMP-IHRRRGAJSA-N 2 1 272.383 2.873 10 0 CFAEMP Cc1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000178303344 189105046 /nfs/dbraw/zinc/10/50/46/189105046.db2.gz OJIYWTXRQLKSQQ-ZDUSSCGKSA-N 2 1 276.409 2.621 10 0 CFAEMP Cc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000178303344 189105047 /nfs/dbraw/zinc/10/50/47/189105047.db2.gz OJIYWTXRQLKSQQ-ZDUSSCGKSA-N 2 1 276.409 2.621 10 0 CFAEMP c1cc2c(cccc2C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000275602496 193083940 /nfs/dbraw/zinc/08/39/40/193083940.db2.gz QMOSZXGVUKULMU-ZDUSSCGKSA-N 2 1 280.375 2.717 10 0 CFAEMP CC[NH+]1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000034996445 372527024 /nfs/dbraw/zinc/52/70/24/372527024.db2.gz ZFQZRBDXMWTUHS-OAHLLOKOSA-N 2 1 260.381 2.584 10 0 CFAEMP Cc1cccc2c(NC[C@@H]3C[N@@H+](C)CCO3)c(C)c[nH+]c12 ZINC000185284972 381586254 /nfs/dbraw/zinc/58/62/54/381586254.db2.gz WLFJWYIIECEVTK-CQSZACIVSA-N 2 1 285.391 2.594 10 0 CFAEMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300281000 382059363 /nfs/dbraw/zinc/05/93/63/382059363.db2.gz YOKDBQMJUITVJA-LSDHHAIUSA-N 2 1 266.429 2.552 10 0 CFAEMP Cc1cncc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000189896047 382644299 /nfs/dbraw/zinc/64/42/99/382644299.db2.gz SEUXPUATVMRAMM-OAHLLOKOSA-N 2 1 282.391 2.719 10 0 CFAEMP C[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000231456720 382865096 /nfs/dbraw/zinc/86/50/96/382865096.db2.gz AEEUQEQKGFNDDD-OAHLLOKOSA-N 2 1 294.826 2.849 10 0 CFAEMP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000231456720 382865098 /nfs/dbraw/zinc/86/50/98/382865098.db2.gz AEEUQEQKGFNDDD-OAHLLOKOSA-N 2 1 294.826 2.849 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067052 383139071 /nfs/dbraw/zinc/13/90/71/383139071.db2.gz IJLGXYBFSXVCNN-NXHRZFHOSA-N 2 1 288.435 2.808 10 0 CFAEMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344621 /nfs/dbraw/zinc/34/46/21/383344621.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344626 /nfs/dbraw/zinc/34/46/26/383344626.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 2 1 282.472 2.734 10 0 CFAEMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344628 /nfs/dbraw/zinc/34/46/28/383344628.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 2 1 282.472 2.734 10 0 CFAEMP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250848277 383381304 /nfs/dbraw/zinc/38/13/04/383381304.db2.gz KIVWWUVGGLYXMP-VYDXJSESSA-N 2 1 256.393 2.890 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000261555846 383511916 /nfs/dbraw/zinc/51/19/16/383511916.db2.gz QCUQLSRHUOTVHG-MPKXVKKWSA-N 2 1 250.773 2.509 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261587792 383521145 /nfs/dbraw/zinc/52/11/45/383521145.db2.gz JPOKVYZOTPUMDG-GDLCADMTSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261587792 383521149 /nfs/dbraw/zinc/52/11/49/383521149.db2.gz JPOKVYZOTPUMDG-GDLCADMTSA-N 2 1 280.799 2.518 10 0 CFAEMP Cc1ncsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604993 383526631 /nfs/dbraw/zinc/52/66/31/383526631.db2.gz AYJXMFYOBVJVFW-CABCVRRESA-N 2 1 287.432 2.626 10 0 CFAEMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2O1 ZINC000261632864 383532918 /nfs/dbraw/zinc/53/29/18/383532918.db2.gz HSKIFPYNKNHKAW-IMJJTQAJSA-N 2 1 286.419 2.569 10 0 CFAEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261643826 383535683 /nfs/dbraw/zinc/53/56/83/383535683.db2.gz DWZVHEBXHQUMDL-MJGOQNOKSA-N 2 1 296.414 2.870 10 0 CFAEMP CCN(C)c1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cn1 ZINC000262050306 383599199 /nfs/dbraw/zinc/59/91/99/383599199.db2.gz ZOCDRSDRHUVQEO-INIZCTEOSA-N 2 1 290.455 2.502 10 0 CFAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262050286 383599364 /nfs/dbraw/zinc/59/93/64/383599364.db2.gz ZNTHOUOTADAWTR-BFYDXBDKSA-N 2 1 273.424 2.682 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776373 383558076 /nfs/dbraw/zinc/55/80/76/383558076.db2.gz PEZIXARNVRFDPK-UAGQMJEPSA-N 2 1 274.408 2.643 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261778375 383558129 /nfs/dbraw/zinc/55/81/29/383558129.db2.gz PEZIXARNVRFDPK-XIRDDKMYSA-N 2 1 274.408 2.643 10 0 CFAEMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261785693 383559963 /nfs/dbraw/zinc/55/99/63/383559963.db2.gz UJXCCKUZXJKJSX-MJGOQNOKSA-N 2 1 296.414 2.870 10 0 CFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335642764 288856329 /nfs/dbraw/zinc/85/63/29/288856329.db2.gz IJBWPIKRHGVARL-WNYYMSAVSA-N 2 1 264.335 2.838 10 0 CFAEMP [NH3+]Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000031997326 393511486 /nfs/dbraw/zinc/51/14/86/393511486.db2.gz PECGJWRIJVTKLM-UHFFFAOYSA-N 2 1 282.387 2.645 10 0 CFAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588741 393564428 /nfs/dbraw/zinc/56/44/28/393564428.db2.gz DBOJSESHJYLWEM-QWHCGFSZSA-N 2 1 260.372 2.886 10 0 CFAEMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000085636473 393751930 /nfs/dbraw/zinc/75/19/30/393751930.db2.gz URIUAHNGIPOXAD-OCABDXPQSA-N 2 1 294.483 2.900 10 0 CFAEMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261940809 393951229 /nfs/dbraw/zinc/95/12/29/393951229.db2.gz MRQGKWSLTZGWGZ-UTUOFQBUSA-N 2 1 264.335 2.649 10 0 CFAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000399085697 397561394 /nfs/dbraw/zinc/56/13/94/397561394.db2.gz UKWRUCVDYQAECK-MRXNPFEDSA-N 2 1 280.456 2.536 10 0 CFAEMP C[N@H+](Cc1cccc(F)c1)C1(C[NH3+])CCCCC1 ZINC000020226850 171091504 /nfs/dbraw/zinc/09/15/04/171091504.db2.gz GVZZETJYDRHDLH-UHFFFAOYSA-N 2 1 250.361 2.919 10 0 CFAEMP C[N@@H+](Cc1cccc(F)c1)C1(C[NH3+])CCCCC1 ZINC000020226850 171091508 /nfs/dbraw/zinc/09/15/08/171091508.db2.gz GVZZETJYDRHDLH-UHFFFAOYSA-N 2 1 250.361 2.919 10 0 CFAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367488 171165772 /nfs/dbraw/zinc/16/57/72/171165772.db2.gz IYWRQGYGZUPIFY-OWCLPIDISA-N 2 1 297.487 2.534 10 0 CFAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367488 171165774 /nfs/dbraw/zinc/16/57/74/171165774.db2.gz IYWRQGYGZUPIFY-OWCLPIDISA-N 2 1 297.487 2.534 10 0 CFAEMP C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156195 171362717 /nfs/dbraw/zinc/36/27/17/171362717.db2.gz GGONSDHSHMDWNR-AWEZNQCLSA-N 2 1 289.423 2.596 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661427 172339266 /nfs/dbraw/zinc/33/92/66/172339266.db2.gz IIGYOLHRAVYWSA-KGLIPLIRSA-N 2 1 250.386 2.532 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037172386 173006070 /nfs/dbraw/zinc/00/60/70/173006070.db2.gz DOUZJNSTIRYDCZ-CQSZACIVSA-N 2 1 264.413 2.545 10 0 CFAEMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000037209102 173030615 /nfs/dbraw/zinc/03/06/15/173030615.db2.gz ADESZHYKLIJJDG-HIFRSBDPSA-N 2 1 264.388 2.688 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220973 173038953 /nfs/dbraw/zinc/03/89/53/173038953.db2.gz SSIPESOIPVWJGZ-DOMZBBRYSA-N 2 1 250.430 2.885 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220831 173039848 /nfs/dbraw/zinc/03/98/48/173039848.db2.gz HNIQDQPCAOJFPA-LZWOXQAQSA-N 2 1 261.413 2.853 10 0 CFAEMP CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000037240600 173057293 /nfs/dbraw/zinc/05/72/93/173057293.db2.gz HPADPLRCNBRHBR-JYJNAYRXSA-N 2 1 268.445 2.654 10 0 CFAEMP C[C@@H]1CCC[C@](C[NH2+]CCc2ccncc2)([NH+](C)C)C1 ZINC000040669332 174368016 /nfs/dbraw/zinc/36/80/16/174368016.db2.gz WZNMEVGHPGCRHO-WBVHZDCISA-N 2 1 275.440 2.724 10 0 CFAEMP CC(C)=CC[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000040736312 174389240 /nfs/dbraw/zinc/38/92/40/174389240.db2.gz WZRFNIWDKVEEPR-UHFFFAOYSA-N 2 1 288.435 2.955 10 0 CFAEMP CCC[N@H+](Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747654 174392639 /nfs/dbraw/zinc/39/26/39/174392639.db2.gz CCXJOFILXJMDDK-YIONKMFJSA-N 2 1 277.412 2.786 10 0 CFAEMP CCC[N@@H+](Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747654 174392641 /nfs/dbraw/zinc/39/26/41/174392641.db2.gz CCXJOFILXJMDDK-YIONKMFJSA-N 2 1 277.412 2.786 10 0 CFAEMP CCC[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747595 174392701 /nfs/dbraw/zinc/39/27/01/174392701.db2.gz ITOYXMZZXDMMKF-MZBDJJRSSA-N 2 1 259.397 2.577 10 0 CFAEMP CCC[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747595 174392702 /nfs/dbraw/zinc/39/27/02/174392702.db2.gz ITOYXMZZXDMMKF-MZBDJJRSSA-N 2 1 259.397 2.577 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)cc1 ZINC000040750134 174395387 /nfs/dbraw/zinc/39/53/87/174395387.db2.gz VLPZGDHQUZKETR-AGUYFDCRSA-N 2 1 280.799 2.673 10 0 CFAEMP CC[C@H](N)[C@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364996 175026190 /nfs/dbraw/zinc/02/61/90/175026190.db2.gz LLXWIIGKFWUQCD-DOTOQJQBSA-N 2 1 293.455 2.640 10 0 CFAEMP [NH3+]CCCCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428143 175041275 /nfs/dbraw/zinc/04/12/75/175041275.db2.gz RUZMEYBMIPJBAK-GJZGRUSLSA-N 2 1 254.418 2.539 10 0 CFAEMP CCCC[C@H](CC)C[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000043454540 175050227 /nfs/dbraw/zinc/05/02/27/175050227.db2.gz WQWBQYYSMHBEAS-IRXDYDNUSA-N 2 1 283.504 2.805 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000043488408 175056984 /nfs/dbraw/zinc/05/69/84/175056984.db2.gz UEWPWHVPYBPHRC-CYBMUJFWSA-N 2 1 282.815 2.866 10 0 CFAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818439 175112942 /nfs/dbraw/zinc/11/29/42/175112942.db2.gz WPACGINCVQLRQE-GOSISDBHSA-N 2 1 289.467 2.592 10 0 CFAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818437 175113036 /nfs/dbraw/zinc/11/30/36/175113036.db2.gz WPACGINCVQLRQE-SFHVURJKSA-N 2 1 289.467 2.592 10 0 CFAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1c(C)cc(C)cc1C ZINC000043818153 175113188 /nfs/dbraw/zinc/11/31/88/175113188.db2.gz NVCAGDJKZNYFCW-QGZVFWFLSA-N 2 1 289.467 2.510 10 0 CFAEMP CCCc1ccc([C@@H](CN2CCC[N@@H+](C)CC2)[NH2+]C)cc1 ZINC000043818183 175113322 /nfs/dbraw/zinc/11/33/22/175113322.db2.gz REJFFFDQDUOQET-GOSISDBHSA-N 2 1 289.467 2.537 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818368 175113331 /nfs/dbraw/zinc/11/33/31/175113331.db2.gz XCMIHVCKHICYED-ULQDDVLXSA-N 2 1 295.515 2.817 10 0 CFAEMP CCCC[NH+](CCCC)[C@H]1COCC[C@H]1[NH2+]CC ZINC000043819560 175114167 /nfs/dbraw/zinc/11/41/67/175114167.db2.gz LGTXLZOPWQUNNR-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CCC)C(C)C)OCCO2 ZINC000043885284 175116787 /nfs/dbraw/zinc/11/67/87/175116787.db2.gz OMOLUNNVKUHNRP-HOTGVXAUSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888990 175117797 /nfs/dbraw/zinc/11/77/97/175117797.db2.gz VQZHMAUTSGPQDZ-XHSDSOJGSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@H](C[N@H+](C)C1CCOCC1)C(C)(C)C ZINC000043898613 175121189 /nfs/dbraw/zinc/12/11/89/175121189.db2.gz QCNPJQNUMUHFKM-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H](C[N@@H+](C)C1CCOCC1)C(C)(C)C ZINC000043898613 175121190 /nfs/dbraw/zinc/12/11/90/175121190.db2.gz QCNPJQNUMUHFKM-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966801 175127694 /nfs/dbraw/zinc/12/76/94/175127694.db2.gz AHPBFSUDKBRUPU-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966801 175127696 /nfs/dbraw/zinc/12/76/96/175127696.db2.gz AHPBFSUDKBRUPU-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043966771 175127926 /nfs/dbraw/zinc/12/79/26/175127926.db2.gz FXVSIVXWUVFHNO-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043966771 175127927 /nfs/dbraw/zinc/12/79/27/175127927.db2.gz FXVSIVXWUVFHNO-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)CCOC ZINC000043968746 175129980 /nfs/dbraw/zinc/12/99/80/175129980.db2.gz MLQKTXLPTXUWHC-ILXRZTDVSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)CCOC ZINC000043968746 175129981 /nfs/dbraw/zinc/12/99/81/175129981.db2.gz MLQKTXLPTXUWHC-ILXRZTDVSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969417 175130782 /nfs/dbraw/zinc/13/07/82/175130782.db2.gz FIDCCLPYJOXJDW-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969417 175130783 /nfs/dbraw/zinc/13/07/83/175130783.db2.gz FIDCCLPYJOXJDW-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)CC(C)C ZINC000043970291 175131533 /nfs/dbraw/zinc/13/15/33/175131533.db2.gz IYHFQMGJUNLXIC-LSDHHAIUSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973189 175132595 /nfs/dbraw/zinc/13/25/95/175132595.db2.gz QCPXHYHLRSKHBM-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC(C)C)C(C)C ZINC000043974129 175132859 /nfs/dbraw/zinc/13/28/59/175132859.db2.gz FRDAQNMGZNULIJ-LSDHHAIUSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC(C)C)C(C)C ZINC000043974129 175132860 /nfs/dbraw/zinc/13/28/60/175132860.db2.gz FRDAQNMGZNULIJ-LSDHHAIUSA-N 2 1 256.434 2.510 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH2+]CC)C1 ZINC000043971250 175132998 /nfs/dbraw/zinc/13/29/98/175132998.db2.gz VXSYMSMBCHYAHK-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCCO[C@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH2+]CC)C1 ZINC000043971250 175132999 /nfs/dbraw/zinc/13/29/99/175132999.db2.gz VXSYMSMBCHYAHK-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977692 175133661 /nfs/dbraw/zinc/13/36/61/175133661.db2.gz QVOZJTKXGCWUAF-KCQAQPDRSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977692 175133663 /nfs/dbraw/zinc/13/36/63/175133663.db2.gz QVOZJTKXGCWUAF-KCQAQPDRSA-N 2 1 256.434 2.510 10 0 CFAEMP [NH3+]C[C@@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000044530290 175195124 /nfs/dbraw/zinc/19/51/24/175195124.db2.gz OQAUGUANQYLQTM-LBPRGKRZSA-N 2 1 268.401 2.589 10 0 CFAEMP [NH3+]C[C@@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000044530290 175195125 /nfs/dbraw/zinc/19/51/25/175195125.db2.gz OQAUGUANQYLQTM-LBPRGKRZSA-N 2 1 268.401 2.589 10 0 CFAEMP C[N@H+]1CCC[C@H](Cn2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000044538230 175199414 /nfs/dbraw/zinc/19/94/14/175199414.db2.gz UZXVIHHVBBYMFC-JTQLQIEISA-N 2 1 278.787 2.614 10 0 CFAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1C ZINC000044560646 175204244 /nfs/dbraw/zinc/20/42/44/175204244.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 1 293.499 2.569 10 0 CFAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660205 175226207 /nfs/dbraw/zinc/22/62/07/175226207.db2.gz TXNXWEURABEIBW-YALNPMBYSA-N 2 1 258.409 2.862 10 0 CFAEMP [NH3+]Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045069363 175300870 /nfs/dbraw/zinc/30/08/70/175300870.db2.gz YBMMOYAIZFFKPR-QZTJIDSGSA-N 2 1 288.435 2.833 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000045168606 175319802 /nfs/dbraw/zinc/31/98/02/175319802.db2.gz GXEQIPOOTDRXOR-AWEZNQCLSA-N 2 1 292.471 2.810 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1C ZINC000045172560 175321463 /nfs/dbraw/zinc/32/14/63/175321463.db2.gz BVVFLBJRMATFSP-NWDGAFQWSA-N 2 1 266.433 2.511 10 0 CFAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045368408 175363640 /nfs/dbraw/zinc/36/36/40/175363640.db2.gz FWLDVCNQJBVTRY-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045368408 175363641 /nfs/dbraw/zinc/36/36/41/175363641.db2.gz FWLDVCNQJBVTRY-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045370701 175364397 /nfs/dbraw/zinc/36/43/97/175364397.db2.gz KCDWFDDDTAENEP-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045370701 175364399 /nfs/dbraw/zinc/36/43/99/175364399.db2.gz KCDWFDDDTAENEP-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C1CCCCC1 ZINC000045372410 175364895 /nfs/dbraw/zinc/36/48/95/175364895.db2.gz JHLUJEBNZHQLGI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C1CCCCC1 ZINC000045372410 175364896 /nfs/dbraw/zinc/36/48/96/175364896.db2.gz JHLUJEBNZHQLGI-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C1CCCCC1)[NH2+]C ZINC000045379075 175367971 /nfs/dbraw/zinc/36/79/71/175367971.db2.gz NHPIGWOMDGRAKX-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCCC1)[NH2+]C ZINC000045379075 175367973 /nfs/dbraw/zinc/36/79/73/175367973.db2.gz NHPIGWOMDGRAKX-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C(C)C ZINC000045379163 175368535 /nfs/dbraw/zinc/36/85/35/175368535.db2.gz WWZIZDLRZKSDBK-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C(C)C ZINC000045379163 175368536 /nfs/dbraw/zinc/36/85/36/175368536.db2.gz WWZIZDLRZKSDBK-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379090 175368708 /nfs/dbraw/zinc/36/87/08/175368708.db2.gz NRLQDYFDMFBYAP-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381038 175369861 /nfs/dbraw/zinc/36/98/61/175369861.db2.gz HBNPKMOJUWWWEX-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381038 175369862 /nfs/dbraw/zinc/36/98/62/175369862.db2.gz HBNPKMOJUWWWEX-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387477 175373400 /nfs/dbraw/zinc/37/34/00/175373400.db2.gz HADHSNQDLXHKLJ-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387477 175373401 /nfs/dbraw/zinc/37/34/01/175373401.db2.gz HADHSNQDLXHKLJ-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045386910 175373425 /nfs/dbraw/zinc/37/34/25/175373425.db2.gz BOGGXHOOFQUSOX-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045386910 175373427 /nfs/dbraw/zinc/37/34/27/175373427.db2.gz BOGGXHOOFQUSOX-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045387959 175373901 /nfs/dbraw/zinc/37/39/01/175373901.db2.gz IFFYIDKCFOCQTP-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045387959 175373902 /nfs/dbraw/zinc/37/39/02/175373902.db2.gz IFFYIDKCFOCQTP-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC(CC)[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045391488 175375055 /nfs/dbraw/zinc/37/50/55/175375055.db2.gz TZTGWLNZFLPSKA-INIZCTEOSA-N 2 1 285.476 2.519 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045420984 175380138 /nfs/dbraw/zinc/38/01/38/175380138.db2.gz UPEOIKURWYWJDK-BBRMVZONSA-N 2 1 286.460 2.804 10 0 CFAEMP CCC[C@H](CC[NH3+])CCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000079244744 177455376 /nfs/dbraw/zinc/45/53/76/177455376.db2.gz RXJGGLOKJVPCLM-IRXDYDNUSA-N 2 1 283.504 2.948 10 0 CFAEMP Clc1ccc2c(NC[C@@H]3C[NH2+]CCCO3)cc[nH+]c2c1 ZINC000390069487 262103110 /nfs/dbraw/zinc/10/31/10/262103110.db2.gz NCLIEHKPQARXEY-LBPRGKRZSA-N 2 1 291.782 2.679 10 0 CFAEMP CC(C)(CC[NH3+])[NH2+]Cc1ccccc1Br ZINC000258902225 270274854 /nfs/dbraw/zinc/27/48/54/270274854.db2.gz SCFPWGPVZLPHPM-UHFFFAOYSA-N 2 1 271.202 2.666 10 0 CFAEMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000335012981 276359053 /nfs/dbraw/zinc/35/90/53/276359053.db2.gz YFBGVVLEQWNQBL-FUHWJXTLSA-N 2 1 293.499 2.667 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261944217 277678889 /nfs/dbraw/zinc/67/88/89/277678889.db2.gz NHQDXXOIGPWHQA-DUQPFJRNSA-N 2 1 294.483 2.950 10 0 CFAEMP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCC[NH2+]C1 ZINC000233543877 279237038 /nfs/dbraw/zinc/23/70/38/279237038.db2.gz PBUUYKNMFOETMC-CQSZACIVSA-N 2 1 292.423 2.525 10 0 CFAEMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCC[NH2+]C1 ZINC000233543877 279237040 /nfs/dbraw/zinc/23/70/40/279237040.db2.gz PBUUYKNMFOETMC-CQSZACIVSA-N 2 1 292.423 2.525 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[C@H](C)O3)C2)[nH+]1 ZINC000190592680 281245371 /nfs/dbraw/zinc/24/53/71/281245371.db2.gz OQZYLXNSZOCPHC-JYJNAYRXSA-N 2 1 289.423 2.691 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[C@H](C)O3)C2)[nH+]1 ZINC000190592680 281245373 /nfs/dbraw/zinc/24/53/73/281245373.db2.gz OQZYLXNSZOCPHC-JYJNAYRXSA-N 2 1 289.423 2.691 10 0 CFAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000045700657 519616524 /nfs/dbraw/zinc/61/65/24/519616524.db2.gz CNCUQCRGSGZSDI-HNNXBMFYSA-N 2 1 297.487 2.534 10 0 CFAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423928 519720989 /nfs/dbraw/zinc/72/09/89/519720989.db2.gz CQYRPWFQWLWGCY-OAHLLOKOSA-N 2 1 263.429 2.723 10 0 CFAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543561 519721203 /nfs/dbraw/zinc/72/12/03/519721203.db2.gz LGINZAADZAYGHI-UONOGXRCSA-N 2 1 256.434 2.652 10 0 CFAEMP CC(C)C[NH2+]Cc1ccoc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453181 519747914 /nfs/dbraw/zinc/74/79/14/519747914.db2.gz LZFIISCDIWEHEU-AWEZNQCLSA-N 2 1 282.453 2.963 10 0 CFAEMP CCCC1CC[NH+](CCCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000050905915 519900827 /nfs/dbraw/zinc/90/08/27/519900827.db2.gz VUKCHZVHNWWZOX-INIZCTEOSA-N 2 1 284.444 2.559 10 0 CFAEMP CCC[NH2+]CCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573188 519912001 /nfs/dbraw/zinc/91/20/01/519912001.db2.gz MLSXWYXNMNYWCV-HOTGVXAUSA-N 2 1 268.445 2.800 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)oc1C ZINC000052453187 519988055 /nfs/dbraw/zinc/98/80/55/519988055.db2.gz PVVDBYKWGBMWQO-CYBMUJFWSA-N 2 1 268.426 2.635 10 0 CFAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000052371020 520004364 /nfs/dbraw/zinc/00/43/64/520004364.db2.gz SAOVVACMZGDCJO-UHFFFAOYSA-N 2 1 264.438 2.735 10 0 CFAEMP CCC[N@@H+](CC)CCOc1cccc(C[NH2+]C)c1 ZINC000052448357 521612317 /nfs/dbraw/zinc/61/23/17/521612317.db2.gz JIZLVXIUCFZEFH-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052448334 521613118 /nfs/dbraw/zinc/61/31/18/521613118.db2.gz JGPJIABZECIZJF-UHFFFAOYSA-N 2 1 253.390 2.795 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](Cc2cccs2)C(C)C)CCOCC1 ZINC000052183356 521967652 /nfs/dbraw/zinc/96/76/52/521967652.db2.gz OXOWCZRBFOYRFE-UHFFFAOYSA-N 2 1 296.480 2.975 10 0 CFAEMP CC(C)(C)[NH2+]CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702276 518759361 /nfs/dbraw/zinc/75/93/61/518759361.db2.gz OFHNQLYGRFIUBW-MRXNPFEDSA-N 2 1 276.424 2.666 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382919 519722583 /nfs/dbraw/zinc/72/25/83/519722583.db2.gz ZZKYNWJLHACELZ-GFCCVEGCSA-N 2 1 252.427 2.740 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382919 519722585 /nfs/dbraw/zinc/72/25/85/519722585.db2.gz ZZKYNWJLHACELZ-GFCCVEGCSA-N 2 1 252.427 2.740 10 0 CFAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507806 519743984 /nfs/dbraw/zinc/74/39/84/519743984.db2.gz XKKGLRQHVUPHFH-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@@H+]2CCC[C@H]2C)cs1 ZINC000052375550 519748289 /nfs/dbraw/zinc/74/82/89/519748289.db2.gz JXCQPMSGUXXLEU-GFCCVEGCSA-N 2 1 267.442 2.873 10 0 CFAEMP CC(C)C[NH2+]Cc1nc(C[N@H+]2CCC[C@H]2C)cs1 ZINC000052375550 519748292 /nfs/dbraw/zinc/74/82/92/519748292.db2.gz JXCQPMSGUXXLEU-GFCCVEGCSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181819 519912950 /nfs/dbraw/zinc/91/29/50/519912950.db2.gz MQSUVZUUEPVPBD-HNNXBMFYSA-N 2 1 268.445 2.515 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000053012740 519936187 /nfs/dbraw/zinc/93/61/87/519936187.db2.gz WYMYNEBMLDEEOB-CQSZACIVSA-N 2 1 250.361 2.647 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000053012740 519936197 /nfs/dbraw/zinc/93/61/97/519936197.db2.gz WYMYNEBMLDEEOB-CQSZACIVSA-N 2 1 250.361 2.647 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419171 519938738 /nfs/dbraw/zinc/93/87/38/519938738.db2.gz KIHUDLWGDSMGJP-MSOLQXFVSA-N 2 1 288.435 2.592 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)[C@@H](C)CC)on1 ZINC000052451146 519944792 /nfs/dbraw/zinc/94/47/92/519944792.db2.gz LVUQZFDCQVKKQL-LBPRGKRZSA-N 2 1 253.390 2.795 10 0 CFAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381393 519999647 /nfs/dbraw/zinc/99/96/47/519999647.db2.gz VLZQLJYFVYSRBH-OAHLLOKOSA-N 2 1 276.424 2.907 10 0 CFAEMP CC[NH2+]Cc1occc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420652 520030336 /nfs/dbraw/zinc/03/03/36/520030336.db2.gz AJIXVWDCRVQVGA-BETUJISGSA-N 2 1 250.386 2.867 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401386 520284709 /nfs/dbraw/zinc/28/47/09/520284709.db2.gz HBQFIPVPSGVYSW-INIZCTEOSA-N 2 1 280.387 2.675 10 0 CFAEMP CCCO[C@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052371628 520288177 /nfs/dbraw/zinc/28/81/77/520288177.db2.gz HULOKXLPKZHVLL-HOCLYGCPSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[N@@H+](CC(C)C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181224 520412734 /nfs/dbraw/zinc/41/27/34/520412734.db2.gz NHMGAWLEGRKSIW-UHFFFAOYSA-N 2 1 270.461 2.759 10 0 CFAEMP CCCCOCC[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000049261663 520760099 /nfs/dbraw/zinc/76/00/99/520760099.db2.gz AZIXQOSKWUMVJN-UHFFFAOYSA-N 2 1 256.434 2.787 10 0 CFAEMP CCC(C)(C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000069448504 521304161 /nfs/dbraw/zinc/30/41/61/521304161.db2.gz BUPKYAJVXKLQQJ-UHFFFAOYSA-N 2 1 253.390 2.793 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)[C@H](C)CCC[NH2+]C1CC1 ZINC000052515036 521420744 /nfs/dbraw/zinc/42/07/44/521420744.db2.gz IGQWVZXSJCYSQG-CQSZACIVSA-N 2 1 261.413 2.824 10 0 CFAEMP CCc1ccccc1[C@@H](CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052203795 521930039 /nfs/dbraw/zinc/93/00/39/521930039.db2.gz JDORKCYWRFZBPJ-GOSISDBHSA-N 2 1 289.467 2.522 10 0 CFAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541629 521997537 /nfs/dbraw/zinc/99/75/37/521997537.db2.gz JAUOLKQHYMJCJE-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181182 522048909 /nfs/dbraw/zinc/04/89/09/522048909.db2.gz DUBTZHUVHWLVQO-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380716 522104593 /nfs/dbraw/zinc/10/45/93/522104593.db2.gz YHSKBPDSOSDVBN-CHWSQXEVSA-N 2 1 288.391 2.761 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1Cn1cc[nH+]c1C ZINC000052576157 522104991 /nfs/dbraw/zinc/10/49/91/522104991.db2.gz INRRPVFWRMFIHX-UHFFFAOYSA-N 2 1 255.321 2.705 10 0 CFAEMP CN1CCC([N@@H+](C)CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052419897 522727525 /nfs/dbraw/zinc/72/75/25/522727525.db2.gz SMPNOGSKYVPROF-UHFFFAOYSA-N 2 1 269.477 2.571 10 0 CFAEMP C[N@H+](CCCCC[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419897 522727533 /nfs/dbraw/zinc/72/75/33/522727533.db2.gz SMPNOGSKYVPROF-UHFFFAOYSA-N 3 1 269.477 2.571 10 0 CFAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419897 522727541 /nfs/dbraw/zinc/72/75/41/522727541.db2.gz SMPNOGSKYVPROF-UHFFFAOYSA-N 3 1 269.477 2.571 10 0 CFAEMP COCc1ccccc1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205658 523102793 /nfs/dbraw/zinc/10/27/93/523102793.db2.gz VCCJMILRDGQEED-QGZVFWFLSA-N 2 1 276.424 2.797 10 0 CFAEMP CN1CCC([N@H+](C)Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052419830 523220036 /nfs/dbraw/zinc/22/00/36/523220036.db2.gz KQJMGVMXBDLGPB-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP CN1CCC([N@@H+](C)Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052419830 523220042 /nfs/dbraw/zinc/22/00/42/523220042.db2.gz KQJMGVMXBDLGPB-UHFFFAOYSA-N 2 1 293.455 2.694 10 0 CFAEMP C[C@H]1CCC[N@H+]1CCOc1ccccc1C[NH2+]C1CC1 ZINC000052375853 524120486 /nfs/dbraw/zinc/12/04/86/524120486.db2.gz NAIKEBCKOHVXHV-AWEZNQCLSA-N 2 1 274.408 2.802 10 0 CFAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000049554086 524164960 /nfs/dbraw/zinc/16/49/60/524164960.db2.gz RJCPCCUUBIQREI-OAHLLOKOSA-N 2 1 275.440 2.717 10 0 CFAEMP C[C@H]1CCC[C@@](CNCC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205803 524170312 /nfs/dbraw/zinc/17/03/12/524170312.db2.gz AWDWVTMSBAZWDL-OKZBNKHCSA-N 2 1 295.515 2.961 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231464548 524205408 /nfs/dbraw/zinc/20/54/08/524205408.db2.gz HJVYOAYRYDOTJY-AWEZNQCLSA-N 2 1 282.815 2.923 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231464548 524205419 /nfs/dbraw/zinc/20/54/19/524205419.db2.gz HJVYOAYRYDOTJY-AWEZNQCLSA-N 2 1 282.815 2.923 10 0 CFAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)CCc1ccccn1 ZINC000052423818 524477595 /nfs/dbraw/zinc/47/75/95/524477595.db2.gz MTWQHVHVXSSOLU-CQSZACIVSA-N 2 1 263.429 2.580 10 0 CFAEMP Cc1cccc(N2CC[NH+](C[C@H](C)C[NH2+]C3CC3)CC2)c1 ZINC000052418933 524558920 /nfs/dbraw/zinc/55/89/20/524558920.db2.gz SEOFKQXFZYCSNO-MRXNPFEDSA-N 2 1 287.451 2.505 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOC(C)(C)C)C2)[nH+]1 ZINC000195516341 524680408 /nfs/dbraw/zinc/68/04/08/524680408.db2.gz OHTVTHOAPXKFHJ-HNNXBMFYSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOC(C)(C)C)C2)[nH+]1 ZINC000195516341 524680418 /nfs/dbraw/zinc/68/04/18/524680418.db2.gz OHTVTHOAPXKFHJ-HNNXBMFYSA-N 2 1 291.439 2.939 10 0 CFAEMP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000052274874 524852252 /nfs/dbraw/zinc/85/22/52/524852252.db2.gz GEWWIYWLEGQRIO-YOEHRIQHSA-N 2 1 258.409 2.692 10 0 CFAEMP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049147242 524927377 /nfs/dbraw/zinc/92/73/77/524927377.db2.gz FGERNSDYMMBRHQ-AYDFFVQHSA-N 2 1 262.397 2.721 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382742 525015057 /nfs/dbraw/zinc/01/50/57/525015057.db2.gz SRACTRKROOWFGR-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382742 525015066 /nfs/dbraw/zinc/01/50/66/525015066.db2.gz SRACTRKROOWFGR-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[NH+](Cc2oc3ccccc3c2C[NH3+])C[C@@H](C)O1 ZINC000052380618 525039224 /nfs/dbraw/zinc/03/92/24/525039224.db2.gz XFADDDGWMMWTLR-VXGBXAGGSA-N 2 1 274.364 2.501 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000049577410 525523472 /nfs/dbraw/zinc/52/34/72/525523472.db2.gz DRQVBMIZXDLIMW-YPMHNXCESA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000049577410 525523481 /nfs/dbraw/zinc/52/34/81/525523481.db2.gz DRQVBMIZXDLIMW-YPMHNXCESA-N 2 1 268.351 2.785 10 0 CFAEMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151282871 525732008 /nfs/dbraw/zinc/73/20/08/525732008.db2.gz FOTZTIXICZHSLB-AEFFLSMTSA-N 2 1 290.451 2.801 10 0 CFAEMP NC(=[NH2+])c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599517 526824386 /nfs/dbraw/zinc/82/43/86/526824386.db2.gz LQIOMOYQLUJCDS-OAHLLOKOSA-N 2 1 279.387 2.960 10 0 CFAEMP [NH3+]C1CCC([N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000055144546 527140323 /nfs/dbraw/zinc/14/03/23/527140323.db2.gz ZVRFUWKACGDMQB-UHFFFAOYSA-N 2 1 250.411 2.982 10 0 CFAEMP [NH3+]CCC[N@@H+](CCCn1ccnc1)C1CCCCCC1 ZINC000049327444 527178390 /nfs/dbraw/zinc/17/83/90/527178390.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 2 1 278.444 2.647 10 0 CFAEMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261667657 618128788 /nfs/dbraw/zinc/12/87/88/618128788.db2.gz ZVLNZIISFJVPLI-ULQDDVLXSA-N 2 1 258.409 2.979 10 0 CFAEMP Cc1csc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979760 618280180 /nfs/dbraw/zinc/28/01/80/618280180.db2.gz MJCAQHRMXFDYOT-CQSZACIVSA-N 2 1 279.453 2.631 10 0 CFAEMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261578441 619173008 /nfs/dbraw/zinc/17/30/08/619173008.db2.gz OZDCXKTYZXGMPI-WDEREUQCSA-N 2 1 264.335 2.649 10 0 CFAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(C)(C)C)C2)ccn1 ZINC000886071972 646854998 /nfs/dbraw/zinc/85/49/98/646854998.db2.gz JWAAQOOJMOCMAA-MRXNPFEDSA-N 2 1 291.439 2.642 10 0 CFAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151257326 529706803 /nfs/dbraw/zinc/70/68/03/529706803.db2.gz BWURHMANTONQLH-QAPCUYQASA-N 2 1 290.451 2.746 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817848 179345824 /nfs/dbraw/zinc/34/58/24/179345824.db2.gz HSXGSFQCWSJHSZ-OCCSQVGLSA-N 2 1 276.380 2.550 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817846 179346049 /nfs/dbraw/zinc/34/60/49/179346049.db2.gz HSXGSFQCWSJHSZ-TZMCWYRMSA-N 2 1 276.380 2.550 10 0 CFAEMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818248 179346484 /nfs/dbraw/zinc/34/64/84/179346484.db2.gz ZFBVLAAVUQDTLV-OCCSQVGLSA-N 2 1 280.387 2.969 10 0 CFAEMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818248 179346487 /nfs/dbraw/zinc/34/64/87/179346487.db2.gz ZFBVLAAVUQDTLV-OCCSQVGLSA-N 2 1 280.387 2.969 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356708 /nfs/dbraw/zinc/35/67/08/179356708.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356709 /nfs/dbraw/zinc/35/67/09/179356709.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356711 /nfs/dbraw/zinc/35/67/11/179356711.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356712 /nfs/dbraw/zinc/35/67/12/179356712.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 1 269.477 2.556 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356714 /nfs/dbraw/zinc/35/67/14/179356714.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 1 269.477 2.556 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845969 179354511 /nfs/dbraw/zinc/35/45/11/179354511.db2.gz GMMIMQQRBWVJFP-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[N@H+]1CCC[C@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844168 179354604 /nfs/dbraw/zinc/35/46/04/179354604.db2.gz OBPSVCBTCADAHM-INIZCTEOSA-N 2 1 276.424 2.920 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C)o2)CC1 ZINC000086844250 179354748 /nfs/dbraw/zinc/35/47/48/179354748.db2.gz MZPHOKODVCBWCZ-AWEZNQCLSA-N 2 1 250.386 2.942 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C)o2)CC1 ZINC000086844250 179354750 /nfs/dbraw/zinc/35/47/50/179354750.db2.gz MZPHOKODVCBWCZ-AWEZNQCLSA-N 2 1 250.386 2.942 10 0 CFAEMP C[C@@H]1C[C@@]2(C[N@H+]1Cc1ccccc1)CC[NH2+]C[C@@H]2C ZINC000306493122 348388207 /nfs/dbraw/zinc/38/82/07/348388207.db2.gz YRPTZCWYPIRPQQ-ZMSDIMECSA-N 2 1 258.409 2.897 10 0 CFAEMP C[C@@H]1C[C@]2(C[N@H+]1Cc1ccccc1)CC[NH2+]C[C@H]2C ZINC000306493117 348388287 /nfs/dbraw/zinc/38/82/87/348388287.db2.gz YRPTZCWYPIRPQQ-INMHGKMJSA-N 2 1 258.409 2.897 10 0 CFAEMP Cc1nc(C)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000328639897 348441678 /nfs/dbraw/zinc/44/16/78/348441678.db2.gz PUCXYOJFIRJTGZ-ZDUSSCGKSA-N 2 1 290.436 2.651 10 0 CFAEMP Cc1nc(C)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000328639897 348441680 /nfs/dbraw/zinc/44/16/80/348441680.db2.gz PUCXYOJFIRJTGZ-ZDUSSCGKSA-N 2 1 290.436 2.651 10 0 CFAEMP [NH3+]CCC[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000584614856 348690928 /nfs/dbraw/zinc/69/09/28/348690928.db2.gz MFVFEBIMLUMSJJ-UHFFFAOYSA-N 3 1 292.814 2.629 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573520 539673188 /nfs/dbraw/zinc/67/31/88/539673188.db2.gz ASRAULRCPRCDBD-BRWVUGGUSA-N 2 1 256.393 2.733 10 0 CFAEMP NCC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616627092 352390057 /nfs/dbraw/zinc/39/00/57/352390057.db2.gz CNXOYAAZOBLFAE-LBPRGKRZSA-N 2 1 252.789 2.868 10 0 CFAEMP NCC[N@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616627092 352390060 /nfs/dbraw/zinc/39/00/60/352390060.db2.gz CNXOYAAZOBLFAE-LBPRGKRZSA-N 2 1 252.789 2.868 10 0 CFAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616627092 352390063 /nfs/dbraw/zinc/39/00/63/352390063.db2.gz CNXOYAAZOBLFAE-LBPRGKRZSA-N 2 1 252.789 2.868 10 0 CFAEMP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616627092 352390065 /nfs/dbraw/zinc/39/00/65/352390065.db2.gz CNXOYAAZOBLFAE-LBPRGKRZSA-N 2 1 252.789 2.868 10 0 CFAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000629595165 354855301 /nfs/dbraw/zinc/85/53/01/354855301.db2.gz NASIEBMUMCJORX-MCIONIFRSA-N 2 1 272.383 2.743 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837833 355601135 /nfs/dbraw/zinc/60/11/35/355601135.db2.gz GAPXNTPPUIIBIW-GWCFXTLKSA-N 2 1 254.324 2.651 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631839519 355602723 /nfs/dbraw/zinc/60/27/23/355602723.db2.gz HHCCPKGTIWALGN-CJNGLKHVSA-N 2 1 254.377 2.866 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631842540 355603608 /nfs/dbraw/zinc/60/36/08/355603608.db2.gz BSELPXDQRCYMII-PWSUYJOCSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631842540 355603612 /nfs/dbraw/zinc/60/36/12/355603612.db2.gz BSELPXDQRCYMII-PWSUYJOCSA-N 2 1 272.314 2.732 10 0 CFAEMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275555836 193075149 /nfs/dbraw/zinc/07/51/49/193075149.db2.gz NPLROFCDZRWGJR-DRDHIDPGSA-N 2 1 297.402 2.757 10 0 CFAEMP Cc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000275509432 193062549 /nfs/dbraw/zinc/06/25/49/193062549.db2.gz KEQBTYTYBDBMNV-LBPRGKRZSA-N 2 1 261.394 2.605 10 0 CFAEMP CC(C)c1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)cn2)cc1 ZINC000067909880 374015643 /nfs/dbraw/zinc/01/56/43/374015643.db2.gz RPPKMUAQNWPARQ-OAHLLOKOSA-N 2 1 298.434 2.776 10 0 CFAEMP CC(C)c1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH3+])C3)cn2)cc1 ZINC000067909880 374015648 /nfs/dbraw/zinc/01/56/48/374015648.db2.gz RPPKMUAQNWPARQ-OAHLLOKOSA-N 2 1 298.434 2.776 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC000119183574 376368297 /nfs/dbraw/zinc/36/82/97/376368297.db2.gz AMDYQTBKFWVEDD-OAHLLOKOSA-N 2 1 282.472 2.591 10 0 CFAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151266584 378312386 /nfs/dbraw/zinc/31/23/86/378312386.db2.gz VYMLXOCWZAOKMV-IAGOWNOFSA-N 2 1 276.424 2.574 10 0 CFAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151326824 378317481 /nfs/dbraw/zinc/31/74/81/378317481.db2.gz ZDOCGFUTJDYJDL-SJORKVTESA-N 2 1 294.414 2.713 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCOC(C)C)C2)[nH+]1 ZINC000151111893 378295241 /nfs/dbraw/zinc/29/52/41/378295241.db2.gz QFSXQXGQLSFXHE-INIZCTEOSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCOC(C)C)C2)[nH+]1 ZINC000151111893 378295245 /nfs/dbraw/zinc/29/52/45/378295245.db2.gz QFSXQXGQLSFXHE-INIZCTEOSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000178333744 380438669 /nfs/dbraw/zinc/43/86/69/380438669.db2.gz DZXQRJNLHUFSDC-CQSZACIVSA-N 2 1 296.374 2.997 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000178333744 380438673 /nfs/dbraw/zinc/43/86/73/380438673.db2.gz DZXQRJNLHUFSDC-CQSZACIVSA-N 2 1 296.374 2.997 10 0 CFAEMP C[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379659314 382507985 /nfs/dbraw/zinc/50/79/85/382507985.db2.gz ZOJNPJBXKHVXQQ-WBVHZDCISA-N 2 1 292.467 2.894 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@](C)(CO)[NH2+]CCC ZINC000085216288 184605852 /nfs/dbraw/zinc/60/58/52/184605852.db2.gz IVHAPXOKULQVBB-OAHLLOKOSA-N 2 1 258.450 2.639 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000190641224 382676020 /nfs/dbraw/zinc/67/60/20/382676020.db2.gz KDBWCSWWIDVSDR-SJORKVTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000190641224 382676022 /nfs/dbraw/zinc/67/60/22/382676022.db2.gz KDBWCSWWIDVSDR-SJORKVTESA-N 2 1 291.439 2.597 10 0 CFAEMP C[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000231454912 382864799 /nfs/dbraw/zinc/86/47/99/382864799.db2.gz OMGZAMXANAMNAB-QGZVFWFLSA-N 2 1 258.409 2.749 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247107196 383144117 /nfs/dbraw/zinc/14/41/17/383144117.db2.gz OXXYMFINKVDGOI-VYDXJSESSA-N 2 1 276.424 2.664 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247107196 383144123 /nfs/dbraw/zinc/14/41/23/383144123.db2.gz OXXYMFINKVDGOI-VYDXJSESSA-N 2 1 276.424 2.664 10 0 CFAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247253738 383156745 /nfs/dbraw/zinc/15/67/45/383156745.db2.gz UDODRAXTZCNRKL-HUUCEWRRSA-N 2 1 277.412 2.652 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123868 383328794 /nfs/dbraw/zinc/32/87/94/383328794.db2.gz TXJJUHRZIFBZFS-IRXDYDNUSA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123868 383328799 /nfs/dbraw/zinc/32/87/99/383328799.db2.gz TXJJUHRZIFBZFS-IRXDYDNUSA-N 2 1 291.439 2.597 10 0 CFAEMP C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998792 383455554 /nfs/dbraw/zinc/45/55/54/383455554.db2.gz LDFBZXJRCLWQKO-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998792 383455556 /nfs/dbraw/zinc/45/55/56/383455556.db2.gz LDFBZXJRCLWQKO-KOLCDFICSA-N 2 1 256.752 2.506 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3)C[C@@H]12 ZINC000261545323 383508905 /nfs/dbraw/zinc/50/89/05/383508905.db2.gz FYAQAWHDPJYGIX-MRVWCRGKSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@@H]12 ZINC000261545323 383508908 /nfs/dbraw/zinc/50/89/08/383508908.db2.gz FYAQAWHDPJYGIX-MRVWCRGKSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]12 ZINC000261573412 383516664 /nfs/dbraw/zinc/51/66/64/383516664.db2.gz IUJGSNDPCAFDIQ-ATZCPNFKSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]12 ZINC000261573412 383516668 /nfs/dbraw/zinc/51/66/68/383516668.db2.gz IUJGSNDPCAFDIQ-ATZCPNFKSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]12 ZINC000261578232 383518041 /nfs/dbraw/zinc/51/80/41/383518041.db2.gz LPHDQCLFNCIYDQ-JFUSQASVSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@H]12 ZINC000261578232 383518045 /nfs/dbraw/zinc/51/80/45/383518045.db2.gz LPHDQCLFNCIYDQ-JFUSQASVSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@@H]12 ZINC000261598154 383525432 /nfs/dbraw/zinc/52/54/32/383525432.db2.gz ATHVUKSTIIXQLZ-NUEKZKHPSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@@H]12 ZINC000261598154 383525437 /nfs/dbraw/zinc/52/54/37/383525437.db2.gz ATHVUKSTIIXQLZ-NUEKZKHPSA-N 2 1 283.375 2.511 10 0 CFAEMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612409 383527903 /nfs/dbraw/zinc/52/79/03/383527903.db2.gz SPNHRUBWWPWLQC-USXIJHARSA-N 2 1 258.409 2.781 10 0 CFAEMP CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261881422 383574451 /nfs/dbraw/zinc/57/44/51/383574451.db2.gz FJKPFOKUULCWGK-YOHUBWIESA-N 2 1 294.483 2.948 10 0 CFAEMP CCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261876410 383574533 /nfs/dbraw/zinc/57/45/33/383574533.db2.gz ZTQMTLAULHEPTP-UAGQMJEPSA-N 2 1 274.408 2.645 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261950778 383584289 /nfs/dbraw/zinc/58/42/89/383584289.db2.gz NXZMKGNIWZEZKT-WHOFXGATSA-N 2 1 294.826 2.908 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261950778 383584294 /nfs/dbraw/zinc/58/42/94/383584294.db2.gz NXZMKGNIWZEZKT-WHOFXGATSA-N 2 1 294.826 2.908 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261950775 383584804 /nfs/dbraw/zinc/58/48/04/383584804.db2.gz NXZMKGNIWZEZKT-CORIIIEPSA-N 2 1 294.826 2.908 10 0 CFAEMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261950775 383584807 /nfs/dbraw/zinc/58/48/07/383584807.db2.gz NXZMKGNIWZEZKT-CORIIIEPSA-N 2 1 294.826 2.908 10 0 CFAEMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261979720 383589796 /nfs/dbraw/zinc/58/97/96/383589796.db2.gz RFCZPNBBLNLZGY-AEFFLSMTSA-N 2 1 298.434 2.638 10 0 CFAEMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261986727 383591443 /nfs/dbraw/zinc/59/14/43/383591443.db2.gz RYHGZALTICIBRI-BJJXKVORSA-N 2 1 262.372 2.557 10 0 CFAEMP Clc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261995537 383592595 /nfs/dbraw/zinc/59/25/95/383592595.db2.gz TZJSVUGJGHJXFJ-ARFHVFGLSA-N 2 1 294.826 2.587 10 0 CFAEMP CC1(C)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262005586 383593302 /nfs/dbraw/zinc/59/33/02/383593302.db2.gz UYGDAGYVOMVANW-XHSDSOJGSA-N 2 1 280.456 2.702 10 0 CFAEMP CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262004328 383593658 /nfs/dbraw/zinc/59/36/58/383593658.db2.gz UWRMPMMHSWTJPZ-BZUAXINKSA-N 2 1 294.464 2.557 10 0 CFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000090773380 393780800 /nfs/dbraw/zinc/78/08/00/393780800.db2.gz MCEJTQBMROEEDY-OAHLLOKOSA-N 2 1 250.430 2.885 10 0 CFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000090773380 393780801 /nfs/dbraw/zinc/78/08/01/393780801.db2.gz MCEJTQBMROEEDY-OAHLLOKOSA-N 2 1 250.430 2.885 10 0 CFAEMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)[C@H]1CCC[NH2+]CC1 ZINC000231460080 393781374 /nfs/dbraw/zinc/78/13/74/393781374.db2.gz BQYZIUSBIUKZGL-INIZCTEOSA-N 2 1 288.435 2.974 10 0 CFAEMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@H]1CCC[NH2+]CC1 ZINC000231460080 393781377 /nfs/dbraw/zinc/78/13/77/393781377.db2.gz BQYZIUSBIUKZGL-INIZCTEOSA-N 2 1 288.435 2.974 10 0 CFAEMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231461629 393781657 /nfs/dbraw/zinc/78/16/57/393781657.db2.gz SBZZPQRRARWGKJ-HNNXBMFYSA-N 2 1 292.423 2.586 10 0 CFAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCCCC2)CC1 ZINC000121084089 393948324 /nfs/dbraw/zinc/94/83/24/393948324.db2.gz PWBHWNMUKFRCAL-MRXNPFEDSA-N 2 1 296.499 2.981 10 0 CFAEMP C[C@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000261553353 393948353 /nfs/dbraw/zinc/94/83/53/393948353.db2.gz AEVULTIZCTWKKE-CABZTGNLSA-N 2 1 261.756 2.814 10 0 CFAEMP CC(C)(C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647512610 395366953 /nfs/dbraw/zinc/36/69/53/395366953.db2.gz IRJSETZHOHMZRQ-BPUTZDHNSA-N 2 1 258.409 2.633 10 0 CFAEMP COc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188397771 543061845 /nfs/dbraw/zinc/06/18/45/543061845.db2.gz MFQNPXIHBSZAKB-HNNXBMFYSA-N 2 1 271.364 2.556 10 0 CFAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394672156 397551070 /nfs/dbraw/zinc/55/10/70/397551070.db2.gz SYROLCSNAWKLJP-QWHCGFSZSA-N 2 1 260.372 2.873 10 0 CFAEMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2ccccc2n1 ZINC000020246224 171099128 /nfs/dbraw/zinc/09/91/28/171099128.db2.gz VHKASILGFBDAOL-UHFFFAOYSA-N 2 1 271.408 2.912 10 0 CFAEMP [NH3+]Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000022172473 171368965 /nfs/dbraw/zinc/36/89/65/171368965.db2.gz MUJXFFRQGDEROK-UHFFFAOYSA-N 2 1 252.361 2.704 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000022565184 171391962 /nfs/dbraw/zinc/39/19/62/171391962.db2.gz KBRNGRHVBALHDB-IBHBGHMQSA-N 2 1 259.397 2.735 10 0 CFAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccco2)C1 ZINC000035700786 172369014 /nfs/dbraw/zinc/36/90/14/172369014.db2.gz PMCGLVPFKSSKOS-UMVBOHGHSA-N 2 1 250.386 2.865 10 0 CFAEMP C[N@H+](Cc1cccs1)Cc1ccc(C[NH3+])cc1F ZINC000035725560 172380260 /nfs/dbraw/zinc/38/02/60/172380260.db2.gz BHSROXHPZJTUIN-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[N@@H+](Cc1cccs1)Cc1ccc(C[NH3+])cc1F ZINC000035725560 172380263 /nfs/dbraw/zinc/38/02/63/172380263.db2.gz BHSROXHPZJTUIN-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629048 287268905 /nfs/dbraw/zinc/26/89/05/287268905.db2.gz BLUAHGBTPQBFFY-QXSJWSMHSA-N 2 1 280.456 2.654 10 0 CFAEMP CCCCC[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037171734 173005984 /nfs/dbraw/zinc/00/59/84/173005984.db2.gz LYVMLZJYOTYKNT-UHFFFAOYSA-N 2 1 251.349 2.732 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220974 173038959 /nfs/dbraw/zinc/03/89/59/173038959.db2.gz SSIPESOIPVWJGZ-IUODEOHRSA-N 2 1 250.430 2.885 10 0 CFAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037220388 173039115 /nfs/dbraw/zinc/03/91/15/173039115.db2.gz IBMDYWYGNZUFIJ-ILXRZTDVSA-N 2 1 261.413 2.853 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037220388 173039117 /nfs/dbraw/zinc/03/91/17/173039117.db2.gz IBMDYWYGNZUFIJ-ILXRZTDVSA-N 2 1 261.413 2.853 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221783 173041847 /nfs/dbraw/zinc/04/18/47/173041847.db2.gz CMEMMUUDRMHXAN-UGUYLWEFSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[N@H+](Cc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000037538417 173259348 /nfs/dbraw/zinc/25/93/48/173259348.db2.gz FQEJEJMJBUWVEJ-UHFFFAOYSA-N 2 1 282.815 2.923 10 0 CFAEMP CC[N@@H+](Cc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000037538417 173259350 /nfs/dbraw/zinc/25/93/50/173259350.db2.gz FQEJEJMJBUWVEJ-UHFFFAOYSA-N 2 1 282.815 2.923 10 0 CFAEMP CC[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CCSC ZINC000039794788 174173182 /nfs/dbraw/zinc/17/31/82/174173182.db2.gz KDTQADJIOLJLGD-AWEZNQCLSA-N 2 1 252.427 2.589 10 0 CFAEMP CC[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CCSC ZINC000039794788 174173183 /nfs/dbraw/zinc/17/31/83/174173183.db2.gz KDTQADJIOLJLGD-AWEZNQCLSA-N 2 1 252.427 2.589 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000040593377 174347388 /nfs/dbraw/zinc/34/73/88/174347388.db2.gz NBKSEAQCEPNLDN-CQSZACIVSA-N 2 1 271.408 2.610 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040592346 174347822 /nfs/dbraw/zinc/34/78/22/174347822.db2.gz KBMKBXWOLYLYQM-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040592346 174347823 /nfs/dbraw/zinc/34/78/23/174347823.db2.gz KBMKBXWOLYLYQM-UONOGXRCSA-N 2 1 292.423 2.696 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040622790 174355985 /nfs/dbraw/zinc/35/59/85/174355985.db2.gz GXPBACGLQROZAZ-XJKSGUPXSA-N 2 1 274.408 2.699 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623435 174356036 /nfs/dbraw/zinc/35/60/36/174356036.db2.gz AMDMFDDXZLTGTQ-YPMHNXCESA-N 2 1 267.442 2.832 10 0 CFAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623435 174356037 /nfs/dbraw/zinc/35/60/37/174356037.db2.gz AMDMFDDXZLTGTQ-YPMHNXCESA-N 2 1 267.442 2.832 10 0 CFAEMP CSCCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668587 174367532 /nfs/dbraw/zinc/36/75/32/174367532.db2.gz CMIWLXVMNMXFKS-UONOGXRCSA-N 2 1 258.475 2.840 10 0 CFAEMP CCCCCC[C@@H](C[NH3+])[NH+]1CCC(OCC)CC1 ZINC000040689094 174376072 /nfs/dbraw/zinc/37/60/72/174376072.db2.gz PGNDZKHDZIKESV-AWEZNQCLSA-N 2 1 256.434 2.785 10 0 CFAEMP CC[N@@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747467 174392622 /nfs/dbraw/zinc/39/26/22/174392622.db2.gz NULLCISMFTWUDE-XYPWUTKMSA-N 2 1 274.408 2.800 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(F)F ZINC000040749366 174393728 /nfs/dbraw/zinc/39/37/28/174393728.db2.gz HDLIOAJBRRZMAZ-YHWZYXNKSA-N 2 1 282.334 2.742 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC(F)F ZINC000040749366 174393729 /nfs/dbraw/zinc/39/37/29/174393729.db2.gz HDLIOAJBRRZMAZ-YHWZYXNKSA-N 2 1 282.334 2.742 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000040749242 174394013 /nfs/dbraw/zinc/39/40/13/174394013.db2.gz BZPFKXOEGSOWJM-YHWZYXNKSA-N 2 1 250.773 2.794 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000040749242 174394014 /nfs/dbraw/zinc/39/40/14/174394014.db2.gz BZPFKXOEGSOWJM-YHWZYXNKSA-N 2 1 250.773 2.794 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000040749937 174394829 /nfs/dbraw/zinc/39/48/29/174394829.db2.gz UNCZUUJWFFNDNL-MQVJKMGUSA-N 2 1 285.366 2.828 10 0 CFAEMP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043326018 175007461 /nfs/dbraw/zinc/00/74/61/175007461.db2.gz VWPQNVBQLHEHFW-AWEZNQCLSA-N 2 1 259.397 2.759 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1cccnc1)n1cc[nH+]c1C(C)C ZINC000043348870 175019244 /nfs/dbraw/zinc/01/92/44/175019244.db2.gz CGJQHGYTOAPQFL-KGLIPLIRSA-N 2 1 258.369 2.728 10 0 CFAEMP CCCC(C[NH3+])(CCC)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043424590 175040213 /nfs/dbraw/zinc/04/02/13/175040213.db2.gz GYBVQWOWQDRVLT-UONOGXRCSA-N 2 1 254.418 2.537 10 0 CFAEMP [NH3+]CCCCCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428141 175041304 /nfs/dbraw/zinc/04/13/04/175041304.db2.gz RUZMEYBMIPJBAK-CABCVRRESA-N 2 1 254.418 2.539 10 0 CFAEMP FC(F)(F)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000043498762 175058213 /nfs/dbraw/zinc/05/82/13/175058213.db2.gz QXNVPEJZKDDXHY-RYUDHWBXSA-N 2 1 264.335 2.793 10 0 CFAEMP FC(F)(F)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000043498762 175058214 /nfs/dbraw/zinc/05/82/14/175058214.db2.gz QXNVPEJZKDDXHY-RYUDHWBXSA-N 2 1 264.335 2.793 10 0 CFAEMP CC[N@@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000043591990 175074337 /nfs/dbraw/zinc/07/43/37/175074337.db2.gz IHPHESZNNGYOEF-AWEZNQCLSA-N 2 1 250.386 2.881 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810290 175109618 /nfs/dbraw/zinc/10/96/18/175109618.db2.gz UDKVCMQUXRIQRA-ARFHVFGLSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810290 175109619 /nfs/dbraw/zinc/10/96/19/175109619.db2.gz UDKVCMQUXRIQRA-ARFHVFGLSA-N 2 1 296.455 2.525 10 0 CFAEMP C[NH2+][C@@H](C)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819737 175113623 /nfs/dbraw/zinc/11/36/23/175113623.db2.gz QEYJBGYHEUGLIH-LSDHHAIUSA-N 2 1 260.425 2.938 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890347 175118257 /nfs/dbraw/zinc/11/82/57/175118257.db2.gz OGHYNRLUUSJGLW-IMJJTQAJSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C1CCCCCC1 ZINC000043899793 175121688 /nfs/dbraw/zinc/12/16/88/175121688.db2.gz YQNWVEAJSGNFLG-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899793 175121690 /nfs/dbraw/zinc/12/16/90/175121690.db2.gz YQNWVEAJSGNFLG-CVEARBPZSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCCCCC1 ZINC000043899801 175122072 /nfs/dbraw/zinc/12/20/72/175122072.db2.gz YQNWVEAJSGNFLG-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899801 175122074 /nfs/dbraw/zinc/12/20/74/175122074.db2.gz YQNWVEAJSGNFLG-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CCOC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043906957 175122526 /nfs/dbraw/zinc/12/25/26/175122526.db2.gz CVIAFCJEKKAIAA-VNQPRFMTSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CC)CCOC ZINC000043968749 175129571 /nfs/dbraw/zinc/12/95/71/175129571.db2.gz TWPIWYLREOFBAT-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CC)CCOC ZINC000043968749 175129573 /nfs/dbraw/zinc/12/95/73/175129573.db2.gz TWPIWYLREOFBAT-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000043969361 175130805 /nfs/dbraw/zinc/13/08/05/175130805.db2.gz WGOQLINOZFLGRR-KBPBESRZSA-N 2 1 294.439 2.832 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970371 175131028 /nfs/dbraw/zinc/13/10/28/175131028.db2.gz KSDBZNDKJQTAQE-OAGGEKHMSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970496 175131035 /nfs/dbraw/zinc/13/10/35/175131035.db2.gz WVBLLOTYGONOEX-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970496 175131036 /nfs/dbraw/zinc/13/10/36/175131036.db2.gz WVBLLOTYGONOEX-GJZGRUSLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970805 175131802 /nfs/dbraw/zinc/13/18/02/175131802.db2.gz HPEFZYYGQPTYQN-IRXDYDNUSA-N 3 1 281.488 2.571 10 0 CFAEMP CCC[NH2+][C@@H](C)CC[N@H+]1CCC[C@H](OCCC)C1 ZINC000043971319 175132477 /nfs/dbraw/zinc/13/24/77/175132477.db2.gz UERUXACJVLUOGK-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCCCC[N@H+](C(C)C)[C@@H]1COCC[C@@H]1[NH2+]CC ZINC000043971978 175132898 /nfs/dbraw/zinc/13/28/98/175132898.db2.gz OLDKGDGTXPMJIT-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCCC[N@@H+](C(C)C)[C@@H]1COCC[C@@H]1[NH2+]CC ZINC000043971978 175132899 /nfs/dbraw/zinc/13/28/99/175132899.db2.gz OLDKGDGTXPMJIT-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H](C)CC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977924 175133434 /nfs/dbraw/zinc/13/34/34/175133434.db2.gz YVEDEWNOIQBWOY-KBPBESRZSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000043993984 175136160 /nfs/dbraw/zinc/13/61/60/175136160.db2.gz HQHKKQLZGOGGIU-INIZCTEOSA-N 2 1 273.380 2.941 10 0 CFAEMP C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1n1cc[nH+]c1C ZINC000043994049 175136389 /nfs/dbraw/zinc/13/63/89/175136389.db2.gz WHOLJHGIYPCNNQ-JKSUJKDBSA-N 2 1 271.364 2.648 10 0 CFAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1C)c1ccc2c(c1)OCO2 ZINC000043993999 175136521 /nfs/dbraw/zinc/13/65/21/175136521.db2.gz YRRRSFPRHSKSAU-AWEZNQCLSA-N 2 1 287.363 2.661 10 0 CFAEMP CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1C ZINC000043993687 175136650 /nfs/dbraw/zinc/13/66/50/175136650.db2.gz OOWPLTKEDCAZGI-GDBMZVCRSA-N 2 1 271.364 2.866 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2cc(C)ccc2C)CC1 ZINC000044172616 175149502 /nfs/dbraw/zinc/14/95/02/175149502.db2.gz RZMWYBNPLGMUIV-GOSISDBHSA-N 2 1 290.451 2.753 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cc(C)ccc2C)CC1 ZINC000044172616 175149503 /nfs/dbraw/zinc/14/95/03/175149503.db2.gz RZMWYBNPLGMUIV-GOSISDBHSA-N 2 1 290.451 2.753 10 0 CFAEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000044533017 175195826 /nfs/dbraw/zinc/19/58/26/175195826.db2.gz QFTKNYDCOZZQNT-CZUORRHYSA-N 2 1 276.449 2.906 10 0 CFAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000044533017 175195827 /nfs/dbraw/zinc/19/58/27/175195827.db2.gz QFTKNYDCOZZQNT-CZUORRHYSA-N 2 1 276.449 2.906 10 0 CFAEMP COc1ccc(C2CC([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000044533475 175196877 /nfs/dbraw/zinc/19/68/77/175196877.db2.gz AKRUMKYWVPZTBQ-ODIFPOPNSA-N 2 1 288.435 2.873 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656970 175225787 /nfs/dbraw/zinc/22/57/87/175225787.db2.gz QDTCCZDEAGVAAE-HUUCEWRRSA-N 2 1 256.434 2.513 10 0 CFAEMP Nc1[nH+]c2cc(Cl)ccc2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726521 175238732 /nfs/dbraw/zinc/23/87/32/175238732.db2.gz YNWMHBHGNPATEN-LLVKDONJSA-N 2 1 276.771 2.681 10 0 CFAEMP Nc1[nH+]c2cc(Cl)ccc2n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726521 175238734 /nfs/dbraw/zinc/23/87/34/175238734.db2.gz YNWMHBHGNPATEN-LLVKDONJSA-N 2 1 276.771 2.681 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073394 175302354 /nfs/dbraw/zinc/30/23/54/175302354.db2.gz DCWOCMPKBJMCPL-BBWFWOEESA-N 2 1 280.456 2.798 10 0 CFAEMP CCCC[N@H+](CC[C@@](C)([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000045282666 175353488 /nfs/dbraw/zinc/35/34/88/175353488.db2.gz IZQMOAVSPQLGGU-GOEBONIOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@@H+](CC[C@@](C)([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000045282666 175353490 /nfs/dbraw/zinc/35/34/90/175353490.db2.gz IZQMOAVSPQLGGU-GOEBONIOSA-N 2 1 285.476 2.521 10 0 CFAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045370748 175364488 /nfs/dbraw/zinc/36/44/88/175364488.db2.gz CMDKMYHFTXMTQK-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045370748 175364489 /nfs/dbraw/zinc/36/44/89/175364489.db2.gz CMDKMYHFTXMTQK-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCCC1 ZINC000045372413 175365111 /nfs/dbraw/zinc/36/51/11/175365111.db2.gz JHLUJEBNZHQLGI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCCC1 ZINC000045372413 175365112 /nfs/dbraw/zinc/36/51/12/175365112.db2.gz JHLUJEBNZHQLGI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384699 175372423 /nfs/dbraw/zinc/37/24/23/175372423.db2.gz OHBHGKCOCLFDKC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384699 175372424 /nfs/dbraw/zinc/37/24/24/175372424.db2.gz OHBHGKCOCLFDKC-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386418 175372597 /nfs/dbraw/zinc/37/25/97/175372597.db2.gz KJUYIAJZYKVIGY-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386418 175372598 /nfs/dbraw/zinc/37/25/98/175372598.db2.gz KJUYIAJZYKVIGY-KRWDZBQOSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)CCC)C(=O)OC ZINC000045386925 175373085 /nfs/dbraw/zinc/37/30/85/175373085.db2.gz YRMOOCFWKBWEIW-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CCC)C(=O)OC ZINC000045386925 175373086 /nfs/dbraw/zinc/37/30/86/175373086.db2.gz YRMOOCFWKBWEIW-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387482 175373204 /nfs/dbraw/zinc/37/32/04/175373204.db2.gz HADHSNQDLXHKLJ-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045387482 175373206 /nfs/dbraw/zinc/37/32/06/175373206.db2.gz HADHSNQDLXHKLJ-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388680 175374123 /nfs/dbraw/zinc/37/41/23/175374123.db2.gz UBFIMOQCEPMJCF-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388680 175374125 /nfs/dbraw/zinc/37/41/25/175374125.db2.gz UBFIMOQCEPMJCF-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C[C@@H](C)CC)[NH2+]C ZINC000045388493 175374218 /nfs/dbraw/zinc/37/42/18/175374218.db2.gz WHGWYIJXUXGILX-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)[NH2+]C ZINC000045388493 175374219 /nfs/dbraw/zinc/37/42/19/175374219.db2.gz WHGWYIJXUXGILX-HOCLYGCPSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420997 175379841 /nfs/dbraw/zinc/37/98/41/175379841.db2.gz HNFSESPSWXNDDN-YOEHRIQHSA-N 2 1 299.503 2.767 10 0 CFAEMP C[N@@H+](CCn1ccc2c1CCC[C@@H]2[NH3+])C1CCCC1 ZINC000071379201 176143859 /nfs/dbraw/zinc/14/38/59/176143859.db2.gz SHATUJBOZQBLLG-HNNXBMFYSA-N 2 1 261.413 2.699 10 0 CFAEMP C[C@H]1C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000071402080 176153920 /nfs/dbraw/zinc/15/39/20/176153920.db2.gz NKPQCEHGFGYAMR-HOCLYGCPSA-N 2 1 262.397 2.577 10 0 CFAEMP COCC[N@@H+](CCC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071401863 176154121 /nfs/dbraw/zinc/15/41/21/176154121.db2.gz UDEWOLAVROJEIF-INIZCTEOSA-N 2 1 262.397 2.577 10 0 CFAEMP CCc1ccc(CCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071587017 176214046 /nfs/dbraw/zinc/21/40/46/176214046.db2.gz PPDKIELMILLBSV-UHFFFAOYSA-N 2 1 260.425 2.867 10 0 CFAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515580 265183540 /nfs/dbraw/zinc/18/35/40/265183540.db2.gz YVZMIHPVCSDYSD-YESZJQIVSA-N 2 1 283.504 2.863 10 0 CFAEMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398339460 270322087 /nfs/dbraw/zinc/32/20/87/270322087.db2.gz MINGXNZCFABXPV-KRWDZBQOSA-N 2 1 296.414 2.965 10 0 CFAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261551931 295238024 /nfs/dbraw/zinc/23/80/24/295238024.db2.gz AOMYZDMSQMGTMT-STQMWFEESA-N 2 1 260.372 2.873 10 0 CFAEMP CCC[NH2+]C[C@H](C(C)C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545256 519929147 /nfs/dbraw/zinc/92/91/47/519929147.db2.gz JMXSQDOUIPWXRT-GOEBONIOSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[NH2+]Cc1cccc(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000052511407 519953966 /nfs/dbraw/zinc/95/39/66/519953966.db2.gz MSUHZDNMPBAFAO-AWEZNQCLSA-N 2 1 264.413 2.653 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)[C@H](C)c2cccs2)CCOCC1 ZINC000052182445 521970424 /nfs/dbraw/zinc/97/04/24/521970424.db2.gz SZDAHAIEPNJNDH-CYBMUJFWSA-N 2 1 282.453 2.757 10 0 CFAEMP CC(C)C[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045422427 519715428 /nfs/dbraw/zinc/71/54/28/519715428.db2.gz FEVDVVLBWSBNHG-KRWDZBQOSA-N 2 1 297.487 2.519 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)Cc1occc1C[NH2+]C(C)C ZINC000052503312 519716884 /nfs/dbraw/zinc/71/68/84/519716884.db2.gz XJGHGJSWEGUDLU-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)Cc1occc1C[NH2+]C(C)C ZINC000052503312 519716886 /nfs/dbraw/zinc/71/68/86/519716886.db2.gz XJGHGJSWEGUDLU-UHFFFAOYSA-N 2 1 295.471 2.797 10 0 CFAEMP CC(C)[NH2+]CCCCC[N@@H+](C)CCc1ccccn1 ZINC000052423944 519720471 /nfs/dbraw/zinc/72/04/71/519720471.db2.gz QMHYDMUBIUSMRV-UHFFFAOYSA-N 2 1 263.429 2.724 10 0 CFAEMP CC(C)[NH2+]Cc1cccc(OCC[N@@H+](C)C(C)C)c1 ZINC000052419595 519727246 /nfs/dbraw/zinc/72/72/46/519727246.db2.gz GJSPQTNHAIOJJQ-UHFFFAOYSA-N 2 1 264.413 2.904 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@H](C)C1 ZINC000052484465 519727900 /nfs/dbraw/zinc/72/79/00/519727900.db2.gz FLUFDNQCRPBEAJ-HNNXBMFYSA-N 2 1 276.424 2.905 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481864 519743515 /nfs/dbraw/zinc/74/35/15/519743515.db2.gz XJVQAVZABNIFCQ-AWEZNQCLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379040 519746385 /nfs/dbraw/zinc/74/63/85/519746385.db2.gz QXOPYLRAHQOCBJ-XHSDSOJGSA-N 2 1 268.445 2.654 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000052424345 519747132 /nfs/dbraw/zinc/74/71/32/519747132.db2.gz RZMVLOZTMBSELI-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000052424345 519747133 /nfs/dbraw/zinc/74/71/33/519747133.db2.gz RZMVLOZTMBSELI-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000052424345 519747134 /nfs/dbraw/zinc/74/71/34/519747134.db2.gz RZMVLOZTMBSELI-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)OCC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049259238 519765376 /nfs/dbraw/zinc/76/53/76/519765376.db2.gz MZEZKNXNIBFVBT-UHFFFAOYSA-N 2 1 256.434 2.785 10 0 CFAEMP CCCC1CC[NH+](CCCC[C@@](C)([NH3+])C(=O)OCC)CC1 ZINC000050905921 519900853 /nfs/dbraw/zinc/90/08/53/519900853.db2.gz AFVVGUSSIPQHHS-QGZVFWFLSA-N 2 1 298.471 2.949 10 0 CFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccco1 ZINC000054628929 519907598 /nfs/dbraw/zinc/90/75/98/519907598.db2.gz ADJQNXOERGZSNK-GOOCMWNKSA-N 2 1 262.397 2.817 10 0 CFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000054627979 519910860 /nfs/dbraw/zinc/91/08/60/519910860.db2.gz XFRBUUYMOGLGED-YHWZYXNKSA-N 2 1 250.411 2.853 10 0 CFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000054627979 519910865 /nfs/dbraw/zinc/91/08/65/519910865.db2.gz XFRBUUYMOGLGED-YHWZYXNKSA-N 2 1 250.411 2.853 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197763 519911804 /nfs/dbraw/zinc/91/18/04/519911804.db2.gz BXRJXJYKYPFSJZ-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CC)O1 ZINC000052447829 519925674 /nfs/dbraw/zinc/92/56/74/519925674.db2.gz RKOQWUZRMOQHOE-JYJNAYRXSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+]C[C@H](C(C)C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000052372054 519930240 /nfs/dbraw/zinc/93/02/40/519930240.db2.gz HWZNDLYDSZOBAV-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@H](C(C)C)[N@H+]1CCC[C@H](OCC)C1 ZINC000052372054 519930247 /nfs/dbraw/zinc/93/02/47/519930247.db2.gz HWZNDLYDSZOBAV-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572053 519936318 /nfs/dbraw/zinc/93/63/18/519936318.db2.gz YOPWFVSOWUGDCK-XHSDSOJGSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482376 519953104 /nfs/dbraw/zinc/95/31/04/519953104.db2.gz CZOKFEYTKMJZOQ-YVSFHVDLSA-N 2 1 280.456 2.656 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)Cc2ccccc2)O1 ZINC000052443810 519953249 /nfs/dbraw/zinc/95/32/49/519953249.db2.gz ZCOUURLJQUYKJP-DLBZAZTESA-N 2 1 276.424 2.666 10 0 CFAEMP CCC[NH2+][C@@H](C)CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643371 519984403 /nfs/dbraw/zinc/98/44/03/519984403.db2.gz ZYXYBNKLQVAQAU-JKSUJKDBSA-N 2 1 269.477 2.571 10 0 CFAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000052453126 520003867 /nfs/dbraw/zinc/00/38/67/520003867.db2.gz XOIYTSKPGRAMRD-OAHLLOKOSA-N 2 1 264.438 2.733 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cs1 ZINC000052509704 520019997 /nfs/dbraw/zinc/01/99/97/520019997.db2.gz ZTUNDZPYPYNSJI-NEPJUHHUSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cs1 ZINC000052509704 520020002 /nfs/dbraw/zinc/02/00/02/520020002.db2.gz ZTUNDZPYPYNSJI-NEPJUHHUSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000191786544 520607553 /nfs/dbraw/zinc/60/75/53/520607553.db2.gz NTCYGZXZNRYDCN-INIZCTEOSA-N 2 1 278.444 2.560 10 0 CFAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000191786544 520607558 /nfs/dbraw/zinc/60/75/58/520607558.db2.gz NTCYGZXZNRYDCN-INIZCTEOSA-N 2 1 278.444 2.560 10 0 CFAEMP CCCCOCC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000049261896 520780693 /nfs/dbraw/zinc/78/06/93/520780693.db2.gz ARAUUOWFEAMAOG-HNNXBMFYSA-N 2 1 256.434 2.657 10 0 CFAEMP CC[N@H+](CC1CC1)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000069237059 520969487 /nfs/dbraw/zinc/96/94/87/520969487.db2.gz CJNHLAGMBAPZPE-MLGOLLRUSA-N 2 1 262.397 2.815 10 0 CFAEMP CC[N@@H+](CC1CC1)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000069237059 520969493 /nfs/dbraw/zinc/96/94/93/520969493.db2.gz CJNHLAGMBAPZPE-MLGOLLRUSA-N 2 1 262.397 2.815 10 0 CFAEMP CCC[C@H](C)[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181885 521033195 /nfs/dbraw/zinc/03/31/95/521033195.db2.gz DJSJLJZHLIIRFY-HNNXBMFYSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052510966 521228399 /nfs/dbraw/zinc/22/83/99/521228399.db2.gz NTCIIITYBAYCDX-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[N@@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181430 521618885 /nfs/dbraw/zinc/61/88/85/521618885.db2.gz VXBWSLRUJCIEKD-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CCCn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227522771 521656777 /nfs/dbraw/zinc/65/67/77/521656777.db2.gz GEVJHRJHEBXWPU-HOTGVXAUSA-N 2 1 261.413 2.615 10 0 CFAEMP CCCn1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227522771 521656781 /nfs/dbraw/zinc/65/67/81/521656781.db2.gz GEVJHRJHEBXWPU-HOTGVXAUSA-N 2 1 261.413 2.615 10 0 CFAEMP CCN1CC[NH+](Cc2cccc(C[NH2+]CC(C)C)c2)CC1 ZINC000052422296 521688617 /nfs/dbraw/zinc/68/86/17/521688617.db2.gz ZSKZGPGGKHYDNK-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508247 522058834 /nfs/dbraw/zinc/05/88/34/522058834.db2.gz UKCDSKRBHKCXTL-GJZGRUSLSA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1occc1C[N@H+](C)Cc1ccsc1 ZINC000052457221 522163535 /nfs/dbraw/zinc/16/35/35/522163535.db2.gz AZVMZQDALMFJLB-UHFFFAOYSA-N 2 1 250.367 2.693 10 0 CFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1ccsc1 ZINC000052457221 522163545 /nfs/dbraw/zinc/16/35/45/522163545.db2.gz AZVMZQDALMFJLB-UHFFFAOYSA-N 2 1 250.367 2.693 10 0 CFAEMP CC[C@H]([NH2+]C)c1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329500 522557333 /nfs/dbraw/zinc/55/73/33/522557333.db2.gz YHTHRIHKEVLUKB-INIZCTEOSA-N 2 1 273.380 2.941 10 0 CFAEMP CC[C@@H]([NH3+])Cc1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049331409 522645236 /nfs/dbraw/zinc/64/52/36/522645236.db2.gz IXJKCFDFPDHBEN-OAHLLOKOSA-N 2 1 273.380 2.550 10 0 CFAEMP C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231670207 522908143 /nfs/dbraw/zinc/90/81/43/522908143.db2.gz FLFMXNWVKHQXBV-CQSZACIVSA-N 2 1 282.815 2.793 10 0 CFAEMP COCc1ccccc1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205659 523102602 /nfs/dbraw/zinc/10/26/02/523102602.db2.gz VCCJMILRDGQEED-KRWDZBQOSA-N 2 1 276.424 2.797 10 0 CFAEMP CC[C@H]1CC[N@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665694 523165704 /nfs/dbraw/zinc/16/57/04/523165704.db2.gz VEYLEGMDCFZFLY-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP CC[C@H]1CC[N@@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665694 523165710 /nfs/dbraw/zinc/16/57/10/523165710.db2.gz VEYLEGMDCFZFLY-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@H+](Cc1ccc(Cl)s1)CC1(C[NH3+])CCOCC1 ZINC000052182527 523237130 /nfs/dbraw/zinc/23/71/30/523237130.db2.gz DMRHOOVQXPNURH-UHFFFAOYSA-N 2 1 288.844 2.589 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)s1)CC1(C[NH3+])CCOCC1 ZINC000052182527 523237139 /nfs/dbraw/zinc/23/71/39/523237139.db2.gz DMRHOOVQXPNURH-UHFFFAOYSA-N 2 1 288.844 2.589 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCOc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563644 524229316 /nfs/dbraw/zinc/22/93/16/524229316.db2.gz OGVSHIPYKTUQFG-ZIAGYGMSSA-N 2 1 262.397 2.645 10 0 CFAEMP C[C@@H]1CCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375830 524261349 /nfs/dbraw/zinc/26/13/49/524261349.db2.gz YITKUMRWMOLXOH-LLVKDONJSA-N 2 1 251.374 2.547 10 0 CFAEMP COc1ccccc1C[N@H+](C)Cc1cc(F)ccc1C[NH3+] ZINC000069401311 524435473 /nfs/dbraw/zinc/43/54/73/524435473.db2.gz JGSLVUYPMUOKTQ-UHFFFAOYSA-N 2 1 288.366 2.925 10 0 CFAEMP COc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C[NH3+] ZINC000069401311 524435479 /nfs/dbraw/zinc/43/54/79/524435479.db2.gz JGSLVUYPMUOKTQ-UHFFFAOYSA-N 2 1 288.366 2.925 10 0 CFAEMP C[C@@H](Nc1cc[nH+]cc1Br)[C@H]1CCC[NH2+]C1 ZINC000159892329 525722664 /nfs/dbraw/zinc/72/26/64/525722664.db2.gz SQEGAYZAPLZUGN-ZJUUUORDSA-N 2 1 284.201 2.644 10 0 CFAEMP Cc1csc(C[NH2+]CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000049539139 526355881 /nfs/dbraw/zinc/35/58/81/526355881.db2.gz NBCKCWPZNDCMKT-CYBMUJFWSA-N 2 1 261.394 2.631 10 0 CFAEMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373073 527253419 /nfs/dbraw/zinc/25/34/19/527253419.db2.gz QLQCEYXBLPNARL-AWEZNQCLSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000069401675 527254427 /nfs/dbraw/zinc/25/44/27/527254427.db2.gz JUUVIESQTRMRQA-UHFFFAOYSA-N 2 1 286.350 2.679 10 0 CFAEMP [NH3+]Cc1ccc(F)cc1C[N@H+]1CCOc2ccccc2C1 ZINC000069401675 527254432 /nfs/dbraw/zinc/25/44/32/527254432.db2.gz JUUVIESQTRMRQA-UHFFFAOYSA-N 2 1 286.350 2.679 10 0 CFAEMP C[N@@H+](CCSc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226466366 545499748 /nfs/dbraw/zinc/49/97/48/545499748.db2.gz CXJDCJAVMPDCOW-AWEZNQCLSA-N 2 1 282.428 2.992 10 0 CFAEMP Clc1ccc2c(c1)[nH+]ccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090323049 617713745 /nfs/dbraw/zinc/71/37/45/617713745.db2.gz WNXWLTPICLGUHT-PHIMTYICSA-N 2 1 273.767 2.544 10 0 CFAEMP CC(C)n1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261801922 618147134 /nfs/dbraw/zinc/14/71/34/618147134.db2.gz QWFNSYNXRGQQMZ-AEFFLSMTSA-N 2 1 298.434 2.638 10 0 CFAEMP CC(C)n1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261801922 618147137 /nfs/dbraw/zinc/14/71/37/618147137.db2.gz QWFNSYNXRGQQMZ-AEFFLSMTSA-N 2 1 298.434 2.638 10 0 CFAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261721453 618375571 /nfs/dbraw/zinc/37/55/71/618375571.db2.gz QFHBZQKOLMVNOB-XKQJLSEDSA-N 2 1 281.403 2.712 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261601487 619175381 /nfs/dbraw/zinc/17/53/81/619175381.db2.gz QBWAFKWNOPTOHB-FQMFCJFBSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261601487 619175383 /nfs/dbraw/zinc/17/53/83/619175383.db2.gz QBWAFKWNOPTOHB-FQMFCJFBSA-N 2 1 266.335 2.695 10 0 CFAEMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261669877 619201679 /nfs/dbraw/zinc/20/16/79/619201679.db2.gz ZVLNZIISFJVPLI-YESZJQIVSA-N 2 1 258.409 2.979 10 0 CFAEMP CC[C@@H]1C[NH2+]C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096950599 185139524 /nfs/dbraw/zinc/13/95/24/185139524.db2.gz RVKLADLAEWNDNI-IAGOWNOFSA-N 2 1 258.409 2.898 10 0 CFAEMP CCC1(CC)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261997971 282372923 /nfs/dbraw/zinc/37/29/23/282372923.db2.gz SZQRFIUJVHUSIO-CYBMUJFWSA-N 2 1 256.459 2.594 10 0 CFAEMP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763509 347756179 /nfs/dbraw/zinc/75/61/79/347756179.db2.gz LCENUJXZYOHWDZ-ZWKOTPCHSA-N 2 1 281.403 2.951 10 0 CFAEMP c1ccc2c(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763509 347756181 /nfs/dbraw/zinc/75/61/81/347756181.db2.gz LCENUJXZYOHWDZ-ZWKOTPCHSA-N 2 1 281.403 2.951 10 0 CFAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818247 179347460 /nfs/dbraw/zinc/34/74/60/179347460.db2.gz ZFBVLAAVUQDTLV-JSGCOSHPSA-N 2 1 280.387 2.969 10 0 CFAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818247 179347463 /nfs/dbraw/zinc/34/74/63/179347463.db2.gz ZFBVLAAVUQDTLV-JSGCOSHPSA-N 2 1 280.387 2.969 10 0 CFAEMP C[N@@H+](CCCN[C@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817119 179344661 /nfs/dbraw/zinc/34/46/61/179344661.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 2 1 289.467 2.582 10 0 CFAEMP C[NH+](CCCN[C@H]1CCC[N@H+](C)CC1)Cc1ccccc1 ZINC000086817119 179344662 /nfs/dbraw/zinc/34/46/62/179344662.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 2 1 289.467 2.582 10 0 CFAEMP C[NH+](CCCN[C@H]1CCC[N@@H+](C)CC1)Cc1ccccc1 ZINC000086817119 179344664 /nfs/dbraw/zinc/34/46/64/179344664.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 2 1 289.467 2.582 10 0 CFAEMP C[N@H+](CCC[NH2+][C@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817119 179344666 /nfs/dbraw/zinc/34/46/66/179344666.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 3 1 289.467 2.582 10 0 CFAEMP C[N@@H+](CCC[NH2+][C@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817119 179344667 /nfs/dbraw/zinc/34/46/67/179344667.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 3 1 289.467 2.582 10 0 CFAEMP C[NH+](CCC[NH2+][C@H]1CCC[N@H+](C)CC1)Cc1ccccc1 ZINC000086817119 179344669 /nfs/dbraw/zinc/34/46/69/179344669.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 3 1 289.467 2.582 10 0 CFAEMP C[NH+](CCC[NH2+][C@H]1CCC[N@@H+](C)CC1)Cc1ccccc1 ZINC000086817119 179344670 /nfs/dbraw/zinc/34/46/70/179344670.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 3 1 289.467 2.582 10 0 CFAEMP CN(CCC[NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817069 179344873 /nfs/dbraw/zinc/34/48/73/179344873.db2.gz PDUYZEWMDDQMHU-INIZCTEOSA-N 2 1 275.440 2.587 10 0 CFAEMP CN(CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817070 179345022 /nfs/dbraw/zinc/34/50/22/179345022.db2.gz PDUYZEWMDDQMHU-MRXNPFEDSA-N 2 1 275.440 2.587 10 0 CFAEMP C[N@@H+](CCCN[C@@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817120 179345272 /nfs/dbraw/zinc/34/52/72/179345272.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 2 1 289.467 2.582 10 0 CFAEMP C[NH+](CCCN[C@@H]1CCC[N@H+](C)CC1)Cc1ccccc1 ZINC000086817120 179345273 /nfs/dbraw/zinc/34/52/73/179345273.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 2 1 289.467 2.582 10 0 CFAEMP C[NH+](CCCN[C@@H]1CCC[N@@H+](C)CC1)Cc1ccccc1 ZINC000086817120 179345276 /nfs/dbraw/zinc/34/52/76/179345276.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 2 1 289.467 2.582 10 0 CFAEMP C[N@H+](CCC[NH2+][C@@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817120 179345278 /nfs/dbraw/zinc/34/52/78/179345278.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 3 1 289.467 2.582 10 0 CFAEMP C[N@@H+](CCC[NH2+][C@@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817120 179345280 /nfs/dbraw/zinc/34/52/80/179345280.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 3 1 289.467 2.582 10 0 CFAEMP C[NH+](CCC[NH2+][C@@H]1CCC[N@H+](C)CC1)Cc1ccccc1 ZINC000086817120 179345282 /nfs/dbraw/zinc/34/52/82/179345282.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 3 1 289.467 2.582 10 0 CFAEMP C[NH+](CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1)Cc1ccccc1 ZINC000086817120 179345284 /nfs/dbraw/zinc/34/52/84/179345284.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 3 1 289.467 2.582 10 0 CFAEMP C[NH+](C)Cc1ccccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818563 179347033 /nfs/dbraw/zinc/34/70/33/179347033.db2.gz CMTNIZPPUXMPFD-HNNXBMFYSA-N 2 1 261.413 2.644 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)CSC)CC1 ZINC000086845273 179355732 /nfs/dbraw/zinc/35/57/32/179355732.db2.gz PXTVGDXZSALKTK-KGLIPLIRSA-N 2 1 258.475 2.840 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)C2CCCC2)CC1 ZINC000086847027 179356903 /nfs/dbraw/zinc/35/69/03/179356903.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](CC)C2CCCC2)CC1 ZINC000086847027 179356905 /nfs/dbraw/zinc/35/69/05/179356905.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](CC)C2CCCC2)CC1 ZINC000086847027 179356906 /nfs/dbraw/zinc/35/69/06/179356906.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](CC)C2CCCC2)CC1 ZINC000086847027 179356908 /nfs/dbraw/zinc/35/69/08/179356908.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](CC)C2CCCC2)CC1 ZINC000086847027 179356912 /nfs/dbraw/zinc/35/69/12/179356912.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 1 281.488 2.844 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(C)c2)CC1 ZINC000086848352 179357104 /nfs/dbraw/zinc/35/71/04/179357104.db2.gz RILAHTQFEQDYRP-KRWDZBQOSA-N 2 1 275.440 2.635 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357126 /nfs/dbraw/zinc/35/71/26/179357126.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 1 281.488 2.700 10 0 CFAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357128 /nfs/dbraw/zinc/35/71/28/179357128.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 1 281.488 2.700 10 0 CFAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357130 /nfs/dbraw/zinc/35/71/30/179357130.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 1 281.488 2.700 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357132 /nfs/dbraw/zinc/35/71/32/179357132.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 1 281.488 2.700 10 0 CFAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357134 /nfs/dbraw/zinc/35/71/34/179357134.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 1 281.488 2.700 10 0 CFAEMP CCN(Cc1cccs1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847797 179357384 /nfs/dbraw/zinc/35/73/84/179357384.db2.gz RAOZZOSDKBWWLZ-INIZCTEOSA-N 2 1 295.496 2.773 10 0 CFAEMP CCCN(C(C)C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846771 179354890 /nfs/dbraw/zinc/35/48/90/179354890.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC[N@H+](C(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846771 179354892 /nfs/dbraw/zinc/35/48/92/179354892.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC[N@@H+](C(C)C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846771 179354894 /nfs/dbraw/zinc/35/48/94/179354894.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC[NH+](C(C)C)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086846771 179354895 /nfs/dbraw/zinc/35/48/95/179354895.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCC[NH+](C(C)C)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086846771 179354898 /nfs/dbraw/zinc/35/48/98/179354898.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 1 269.477 2.699 10 0 CFAEMP CCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](CCC)CC1 ZINC000086851113 179359917 /nfs/dbraw/zinc/35/99/17/179359917.db2.gz GZAHJBSGLKLFBU-IAGOWNOFSA-N 2 1 281.488 2.715 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868525 179360259 /nfs/dbraw/zinc/36/02/59/179360259.db2.gz OUAXFIXISFKESY-QGZVFWFLSA-N 2 1 296.455 2.670 10 0 CFAEMP CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCC[N@@H+](CC)CC1 ZINC000086868554 179360914 /nfs/dbraw/zinc/36/09/14/179360914.db2.gz DGAIZCVHKYTSJB-QGZVFWFLSA-N 2 1 296.455 2.670 10 0 CFAEMP C[NH2+]CC[C@H]1CCCCN1[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086851258 179359002 /nfs/dbraw/zinc/35/90/02/179359002.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 2 1 281.488 2.713 10 0 CFAEMP C[NH2+]CC[C@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086851258 179359003 /nfs/dbraw/zinc/35/90/03/179359003.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 3 1 281.488 2.713 10 0 CFAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086851258 179359004 /nfs/dbraw/zinc/35/90/04/179359004.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 3 1 281.488 2.713 10 0 CFAEMP C[NH2+]CC[C@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086851258 179359005 /nfs/dbraw/zinc/35/90/05/179359005.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 3 1 281.488 2.713 10 0 CFAEMP C[NH2+]CC[C@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086851258 179359006 /nfs/dbraw/zinc/35/90/06/179359006.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 3 1 281.488 2.713 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCCS1 ZINC000307365189 348398634 /nfs/dbraw/zinc/39/86/34/348398634.db2.gz LTKYCCNAQKTKKA-DZGCQCFKSA-N 2 1 289.448 2.589 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCCS1 ZINC000307365189 348398638 /nfs/dbraw/zinc/39/86/38/348398638.db2.gz LTKYCCNAQKTKKA-DZGCQCFKSA-N 2 1 289.448 2.589 10 0 CFAEMP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455880 539883860 /nfs/dbraw/zinc/88/38/60/539883860.db2.gz MLGPTRBCHJTUMF-JOYOIKCWSA-N 2 1 284.201 2.596 10 0 CFAEMP CC[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000309455880 539883863 /nfs/dbraw/zinc/88/38/63/539883863.db2.gz MLGPTRBCHJTUMF-JOYOIKCWSA-N 2 1 284.201 2.596 10 0 CFAEMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151273606 540372574 /nfs/dbraw/zinc/37/25/74/540372574.db2.gz IWLBJMQQPFAZNW-CVEARBPZSA-N 2 1 268.445 2.558 10 0 CFAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507925 190040257 /nfs/dbraw/zinc/04/02/57/190040257.db2.gz NWKPTWWOFZVAAU-WCQYABFASA-N 2 1 272.314 2.527 10 0 CFAEMP Cc1ccsc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121109487 376761450 /nfs/dbraw/zinc/76/14/50/376761450.db2.gz WDRNJZKPZKVZFE-AWEZNQCLSA-N 2 1 296.480 2.581 10 0 CFAEMP CSCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173779989 379776497 /nfs/dbraw/zinc/77/64/97/379776497.db2.gz VQVBIXCGYMQMRN-AWEZNQCLSA-N 2 1 279.453 2.877 10 0 CFAEMP CSCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173779989 379776504 /nfs/dbraw/zinc/77/65/04/379776504.db2.gz VQVBIXCGYMQMRN-AWEZNQCLSA-N 2 1 279.453 2.877 10 0 CFAEMP CC(C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180142484 380624321 /nfs/dbraw/zinc/62/43/21/380624321.db2.gz PMKTVCDTWMKLPC-ALOPSCKCSA-N 2 1 288.435 2.543 10 0 CFAEMP COc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000380196548 382510750 /nfs/dbraw/zinc/51/07/50/382510750.db2.gz DVXQROPMOUZZCD-CSMYWGQOSA-N 2 1 274.408 2.599 10 0 CFAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H](C(N)=O)c1ccccc1 ZINC000328627206 382556282 /nfs/dbraw/zinc/55/62/82/382556282.db2.gz FVWMUIWDQWTPLL-BBRMVZONSA-N 2 1 298.390 2.654 10 0 CFAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H](C(N)=O)c1ccccc1 ZINC000328627206 382556287 /nfs/dbraw/zinc/55/62/87/382556287.db2.gz FVWMUIWDQWTPLL-BBRMVZONSA-N 2 1 298.390 2.654 10 0 CFAEMP CCc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000231459665 382865134 /nfs/dbraw/zinc/86/51/34/382865134.db2.gz KEHLUVLBNALGAV-LBPRGKRZSA-N 2 1 252.427 2.884 10 0 CFAEMP C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231462726 382865421 /nfs/dbraw/zinc/86/54/21/382865421.db2.gz GOWSWWLDSIAZTM-CQSZACIVSA-N 2 1 254.324 2.539 10 0 CFAEMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231462726 382865423 /nfs/dbraw/zinc/86/54/23/382865423.db2.gz GOWSWWLDSIAZTM-CQSZACIVSA-N 2 1 254.324 2.539 10 0 CFAEMP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)n1 ZINC000247332779 383164455 /nfs/dbraw/zinc/16/44/55/383164455.db2.gz NAUGIOLJBSXURW-RISCZKNCSA-N 2 1 274.412 2.803 10 0 CFAEMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305471 383339382 /nfs/dbraw/zinc/33/93/82/383339382.db2.gz CWIDHPROISBXHH-IRXDYDNUSA-N 2 1 282.472 2.591 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998260 383453657 /nfs/dbraw/zinc/45/36/57/383453657.db2.gz CQDRXPCHCPUHNG-YPMHNXCESA-N 2 1 252.789 2.675 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000261552551 383509556 /nfs/dbraw/zinc/50/95/56/383509556.db2.gz NAMQODWQWBBGNA-IACUBPJLSA-N 2 1 250.773 2.509 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Br)C[C@@H]12 ZINC000261552690 383509946 /nfs/dbraw/zinc/50/99/46/383509946.db2.gz NFMXZOMVDPQOOD-ZKYQVNSYSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@@H]12 ZINC000261552690 383509949 /nfs/dbraw/zinc/50/99/49/383509949.db2.gz NFMXZOMVDPQOOD-ZKYQVNSYSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624308 383530832 /nfs/dbraw/zinc/53/08/32/383530832.db2.gz VCLIHZFMZQPKPM-MWQQHZPXSA-N 2 1 256.393 2.733 10 0 CFAEMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261882651 383575506 /nfs/dbraw/zinc/57/55/06/383575506.db2.gz FMKYQNFVGURNJZ-HMDCTGQHSA-N 2 1 280.456 2.559 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@H]12 ZINC000261956361 383585896 /nfs/dbraw/zinc/58/58/96/383585896.db2.gz OSVDCODKMVQCMV-ZMLRMANQSA-N 2 1 291.395 2.605 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@H]12 ZINC000261956361 383585899 /nfs/dbraw/zinc/58/58/99/383585899.db2.gz OSVDCODKMVQCMV-ZMLRMANQSA-N 2 1 291.395 2.605 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@@H]12 ZINC000261780945 383559557 /nfs/dbraw/zinc/55/95/57/383559557.db2.gz WXYNBPPDCXTXKF-NUEKZKHPSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@@H]12 ZINC000261780945 383559560 /nfs/dbraw/zinc/55/95/60/383559560.db2.gz WXYNBPPDCXTXKF-NUEKZKHPSA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H]1c1ccccc1 ZINC000261806236 383564279 /nfs/dbraw/zinc/56/42/79/383564279.db2.gz MDOYPYMDEUZFBF-AEFFLSMTSA-N 2 1 282.387 2.567 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000571194038 383673214 /nfs/dbraw/zinc/67/32/14/383673214.db2.gz NUKKDZGXJNJUNJ-RYUDHWBXSA-N 2 1 284.350 2.766 10 0 CFAEMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000394019054 260003134 /nfs/dbraw/zinc/00/31/34/260003134.db2.gz HTGXFBFSSRSUIA-XOKHGSTOSA-N 2 1 258.409 2.981 10 0 CFAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381576506 393564629 /nfs/dbraw/zinc/56/46/29/393564629.db2.gz IQVUQDPNRRFWRO-YNEHKIRRSA-N 2 1 260.372 2.871 10 0 CFAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381668273 393565851 /nfs/dbraw/zinc/56/58/51/393565851.db2.gz KSQHKVXLXOIRKJ-OLZOCXBDSA-N 2 1 260.372 2.743 10 0 CFAEMP Cc1csc([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063133 393952818 /nfs/dbraw/zinc/95/28/18/393952818.db2.gz RINGHDUCTXKUTL-DZGCQCFKSA-N 2 1 279.453 2.631 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCC(F)(F)CC1 ZINC000423373710 394279451 /nfs/dbraw/zinc/27/94/51/394279451.db2.gz JJSQPHUWMOFNSV-LOWVWBTDSA-N 2 1 260.372 2.931 10 0 CFAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCC(F)(F)CC1 ZINC000423373709 394279537 /nfs/dbraw/zinc/27/95/37/394279537.db2.gz JJSQPHUWMOFNSV-GVXVVHGQSA-N 2 1 260.372 2.931 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222818 397539842 /nfs/dbraw/zinc/53/98/42/397539842.db2.gz WYBLVYSWJKIGBF-USXIJHARSA-N 2 1 256.393 2.733 10 0 CFAEMP C[N@H+](CCc1ccccn1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020260953 171117977 /nfs/dbraw/zinc/11/79/77/171117977.db2.gz HSSLHLFHBXAOGG-HOTGVXAUSA-N 2 1 261.413 2.606 10 0 CFAEMP C[N@@H+](CCc1ccccn1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020260953 171117981 /nfs/dbraw/zinc/11/79/81/171117981.db2.gz HSSLHLFHBXAOGG-HOTGVXAUSA-N 2 1 261.413 2.606 10 0 CFAEMP C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022155367 171361757 /nfs/dbraw/zinc/36/17/57/171361757.db2.gz AANVMEJQNPZUFS-AWEZNQCLSA-N 2 1 289.423 2.738 10 0 CFAEMP CC(C)[C@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451708 172205246 /nfs/dbraw/zinc/20/52/46/172205246.db2.gz IRNQMLNMTFZYHJ-HIFRSBDPSA-N 2 1 252.402 2.777 10 0 CFAEMP C[N@H+](Cc1ccsc1)Cc1ccc(C(N)=[NH2+])cc1F ZINC000035719325 172373952 /nfs/dbraw/zinc/37/39/52/172373952.db2.gz DHXVOMXRTBRSGA-UHFFFAOYSA-N 2 1 277.368 2.803 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1ccc(C(N)=[NH2+])cc1F ZINC000035719325 172373954 /nfs/dbraw/zinc/37/39/54/172373954.db2.gz DHXVOMXRTBRSGA-UHFFFAOYSA-N 2 1 277.368 2.803 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CCOc1ccc(C[NH3+])cc1 ZINC000037172384 173005972 /nfs/dbraw/zinc/00/59/72/173005972.db2.gz AGFZFKKUZGKOJZ-CYBMUJFWSA-N 2 1 250.386 2.502 10 0 CFAEMP C[NH+](C)CCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213759 173034451 /nfs/dbraw/zinc/03/44/51/173034451.db2.gz RBAVIXSFRCVGMJ-CQSZACIVSA-N 2 1 250.411 2.516 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220833 173038883 /nfs/dbraw/zinc/03/88/83/173038883.db2.gz HNIQDQPCAOJFPA-SQWLQELKSA-N 2 1 261.413 2.853 10 0 CFAEMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299590 173104165 /nfs/dbraw/zinc/10/41/65/173104165.db2.gz WRXMFXMJENKEBF-UHFFFAOYSA-N 2 1 257.381 2.794 10 0 CFAEMP CC1CC[NH+](CCC[NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000037302225 173108189 /nfs/dbraw/zinc/10/81/89/173108189.db2.gz UEWZBTIIIRQTHB-UHFFFAOYSA-N 2 1 290.407 2.627 10 0 CFAEMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000038097920 174112714 /nfs/dbraw/zinc/11/27/14/174112714.db2.gz DZSZGCJYTXQKDF-INIZCTEOSA-N 2 1 262.397 2.917 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040622787 174356008 /nfs/dbraw/zinc/35/60/08/174356008.db2.gz GXPBACGLQROZAZ-CZUORRHYSA-N 2 1 274.408 2.699 10 0 CFAEMP C[C@H]1CCC[C@](C[NH2+]CCc2ccccn2)([NH+](C)C)C1 ZINC000040669326 174367884 /nfs/dbraw/zinc/36/78/84/174367884.db2.gz ZKPHWEYIKCSALX-RDJZCZTQSA-N 2 1 275.440 2.724 10 0 CFAEMP C[N@@H+](Cc1c[nH]c2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746500 174391514 /nfs/dbraw/zinc/39/15/14/174391514.db2.gz PLYABIKLOAKNLA-YIONKMFJSA-N 2 1 269.392 2.883 10 0 CFAEMP CCCN1CCC([N@H+](CCC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747623 174392434 /nfs/dbraw/zinc/39/24/34/174392434.db2.gz BMMLLIKZNZQRAI-BYICEURKSA-N 3 1 293.499 2.856 10 0 CFAEMP CCCN1CCC([N@@H+](CCC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747623 174392436 /nfs/dbraw/zinc/39/24/36/174392436.db2.gz BMMLLIKZNZQRAI-BYICEURKSA-N 3 1 293.499 2.856 10 0 CFAEMP CCC[N@H+](C1CC[NH+](CCC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747623 174392437 /nfs/dbraw/zinc/39/24/37/174392437.db2.gz BMMLLIKZNZQRAI-BYICEURKSA-N 3 1 293.499 2.856 10 0 CFAEMP CCC[N@@H+](C1CC[NH+](CCC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747623 174392438 /nfs/dbraw/zinc/39/24/38/174392438.db2.gz BMMLLIKZNZQRAI-BYICEURKSA-N 3 1 293.499 2.856 10 0 CFAEMP CC[N@@H+](CCOc1ccccc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748218 174393026 /nfs/dbraw/zinc/39/30/26/174393026.db2.gz NWHNCPHLQLVSIJ-SJPCQFCGSA-N 2 1 288.435 2.979 10 0 CFAEMP CCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000040750285 174394938 /nfs/dbraw/zinc/39/49/38/174394938.db2.gz OSFKEZNNYWGBAK-YOGCLGLASA-N 2 1 250.411 2.765 10 0 CFAEMP CC(C)C[C@@H](C)[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000042562763 174798635 /nfs/dbraw/zinc/79/86/35/174798635.db2.gz JPKQRJWSNSRVOS-OAHLLOKOSA-N 2 1 278.440 2.933 10 0 CFAEMP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818457 175112766 /nfs/dbraw/zinc/11/27/66/175112766.db2.gz UHRXGCZORFLPFL-ROUUACIJSA-N 2 1 289.467 2.753 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CCC)C(C)C)OCCO2 ZINC000043885282 175117070 /nfs/dbraw/zinc/11/70/70/175117070.db2.gz OMOLUNNVKUHNRP-CVEARBPZSA-N 2 1 298.471 2.771 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907269 175123170 /nfs/dbraw/zinc/12/31/70/175123170.db2.gz DLHRJERTBKUWMX-BPUTZDHNSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907300 175123240 /nfs/dbraw/zinc/12/32/40/175123240.db2.gz WRKWEUHHCFYLJZ-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H](C[NH+]1CCC(OCC)CC1)C(C)(C)C ZINC000043907285 175123338 /nfs/dbraw/zinc/12/33/38/175123338.db2.gz ZZFLVSIBICRLBW-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907265 175123365 /nfs/dbraw/zinc/12/33/65/175123365.db2.gz DLHRJERTBKUWMX-IMJJTQAJSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](CC)CCOC ZINC000043968626 175129581 /nfs/dbraw/zinc/12/95/81/175129581.db2.gz XYNKKKZAYBMGRF-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](CC)CCOC ZINC000043968626 175129582 /nfs/dbraw/zinc/12/95/82/175129582.db2.gz XYNKKKZAYBMGRF-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@H](CC)[N@H+](CC)CCOC ZINC000043968797 175129957 /nfs/dbraw/zinc/12/99/57/175129957.db2.gz JHKNYAMISYBUQO-GJZGRUSLSA-N 2 1 258.450 2.902 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@H](CC)[N@@H+](CC)CCOC ZINC000043968797 175129958 /nfs/dbraw/zinc/12/99/58/175129958.db2.gz JHKNYAMISYBUQO-GJZGRUSLSA-N 2 1 258.450 2.902 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970373 175131568 /nfs/dbraw/zinc/13/15/68/175131568.db2.gz KSDBZNDKJQTAQE-PMPSAXMXSA-N 2 1 270.461 2.758 10 0 CFAEMP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971146 175131853 /nfs/dbraw/zinc/13/18/53/175131853.db2.gz YBFWLOBOEGRKCS-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCCO[C@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971146 175131854 /nfs/dbraw/zinc/13/18/54/175131854.db2.gz YBFWLOBOEGRKCS-HRCADAONSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973192 175132407 /nfs/dbraw/zinc/13/24/07/175132407.db2.gz QCPXHYHLRSKHBM-RRFJBIMHSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000043973449 175132456 /nfs/dbraw/zinc/13/24/56/175132456.db2.gz WHBWEYXLGHGVEO-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000043973449 175132457 /nfs/dbraw/zinc/13/24/57/175132457.db2.gz WHBWEYXLGHGVEO-SOUVJXGZSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976827 175132801 /nfs/dbraw/zinc/13/28/01/175132801.db2.gz AFLMEYJXFZQQJT-JJXSEGSLSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043976827 175132802 /nfs/dbraw/zinc/13/28/02/175132802.db2.gz AFLMEYJXFZQQJT-JJXSEGSLSA-N 2 1 268.445 2.654 10 0 CFAEMP [NH3+]CCC[N@@H+](CCOc1ccccc1)C1CCCC1 ZINC000044421440 175173608 /nfs/dbraw/zinc/17/36/08/175173608.db2.gz NOPSLHSODUHPLP-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@@H+]1CCCC[C@@H]1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000044563668 175207726 /nfs/dbraw/zinc/20/77/26/175207726.db2.gz DXRIYXVQQUITRT-LLVKDONJSA-N 2 1 278.787 2.756 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000044563668 175207727 /nfs/dbraw/zinc/20/77/27/175207727.db2.gz DXRIYXVQQUITRT-LLVKDONJSA-N 2 1 278.787 2.756 10 0 CFAEMP COc1cccc(C[NH2+]CCCC[N@@H+](C)C(C)C)c1OC ZINC000044573218 175210462 /nfs/dbraw/zinc/21/04/62/175210462.db2.gz ZWRLYVSSVBUDEI-UHFFFAOYSA-N 2 1 294.439 2.914 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690778 175233505 /nfs/dbraw/zinc/23/35/05/175233505.db2.gz SJKIZFIUYPRHAD-RRFJBIMHSA-N 2 1 256.434 2.512 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732359 175241075 /nfs/dbraw/zinc/24/10/75/175241075.db2.gz YSNNKYYSHXHDCS-INIZCTEOSA-N 2 1 271.364 2.607 10 0 CFAEMP C[NH2+][C@H]1CCCc2cc(OCCn3cc[nH+]c3C)ccc21 ZINC000044745069 175241502 /nfs/dbraw/zinc/24/15/02/175241502.db2.gz OAUNEJVVWUSIBR-KRWDZBQOSA-N 2 1 285.391 2.867 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000044747332 175243081 /nfs/dbraw/zinc/24/30/81/175243081.db2.gz FBPSHUPMWPDWEY-ACJLOTCBSA-N 2 1 286.419 2.844 10 0 CFAEMP C[N@@H+](CCCC(=O)Nc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068469 175300380 /nfs/dbraw/zinc/30/03/80/175300380.db2.gz HCKVCUGQYYVTPL-UHFFFAOYSA-N 2 1 291.439 2.842 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[NH+](CC)CC)c1C ZINC000045167547 175319357 /nfs/dbraw/zinc/31/93/57/175319357.db2.gz GONUIOOHZXRVEK-CYBMUJFWSA-N 2 1 280.460 2.902 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000045167343 175319401 /nfs/dbraw/zinc/31/94/01/175319401.db2.gz GTTQPFQTSJUROT-KBPBESRZSA-N 2 1 292.471 2.952 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000045167343 175319402 /nfs/dbraw/zinc/31/94/02/175319402.db2.gz GTTQPFQTSJUROT-KBPBESRZSA-N 2 1 292.471 2.952 10 0 CFAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000045171941 175320953 /nfs/dbraw/zinc/32/09/53/175320953.db2.gz MCECWUOUXUTROG-ZIAGYGMSSA-N 2 1 292.471 2.810 10 0 CFAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045368404 175363902 /nfs/dbraw/zinc/36/39/02/175363902.db2.gz FWLDVCNQJBVTRY-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045368404 175363904 /nfs/dbraw/zinc/36/39/04/175363904.db2.gz FWLDVCNQJBVTRY-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C1CCCCC1)[NH2+]C ZINC000045379077 175368072 /nfs/dbraw/zinc/36/80/72/175368072.db2.gz NHPIGWOMDGRAKX-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCCC1)[NH2+]C ZINC000045379077 175368073 /nfs/dbraw/zinc/36/80/73/175368073.db2.gz NHPIGWOMDGRAKX-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC(C)C ZINC000045381866 175369629 /nfs/dbraw/zinc/36/96/29/175369629.db2.gz ISFJFBNOAAIGJU-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC(C)C ZINC000045381866 175369631 /nfs/dbraw/zinc/36/96/31/175369631.db2.gz ISFJFBNOAAIGJU-INIZCTEOSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC(C)C ZINC000045381867 175369718 /nfs/dbraw/zinc/36/97/18/175369718.db2.gz ISFJFBNOAAIGJU-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC(C)C ZINC000045381867 175369719 /nfs/dbraw/zinc/36/97/19/175369719.db2.gz ISFJFBNOAAIGJU-MRXNPFEDSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381020 175369995 /nfs/dbraw/zinc/36/99/95/175369995.db2.gz WEMDIZKBYRWHPY-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381020 175369996 /nfs/dbraw/zinc/36/99/96/175369996.db2.gz WEMDIZKBYRWHPY-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045380864 175370278 /nfs/dbraw/zinc/37/02/78/175370278.db2.gz CNAACCGNQQPZBY-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045380864 175370279 /nfs/dbraw/zinc/37/02/79/175370279.db2.gz CNAACCGNQQPZBY-INIZCTEOSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384921 175372169 /nfs/dbraw/zinc/37/21/69/175372169.db2.gz FBKRIFOJMLENIK-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C(C)C ZINC000045384921 175372170 /nfs/dbraw/zinc/37/21/70/175372170.db2.gz FBKRIFOJMLENIK-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386395 175372854 /nfs/dbraw/zinc/37/28/54/175372854.db2.gz FBCXUUPXQXVOHI-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386395 175372856 /nfs/dbraw/zinc/37/28/56/175372856.db2.gz FBCXUUPXQXVOHI-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CCC)C1CC1)C(=O)OC ZINC000045387622 175374065 /nfs/dbraw/zinc/37/40/65/175374065.db2.gz AVFVJCYDRUSLDB-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OC ZINC000045387622 175374066 /nfs/dbraw/zinc/37/40/66/175374066.db2.gz AVFVJCYDRUSLDB-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391625 175374855 /nfs/dbraw/zinc/37/48/55/175374855.db2.gz CSBJMQKFOZAPOQ-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391625 175374856 /nfs/dbraw/zinc/37/48/56/175374856.db2.gz CSBJMQKFOZAPOQ-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045391609 175375097 /nfs/dbraw/zinc/37/50/97/175375097.db2.gz GOEGSAOKXRZDII-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OCC ZINC000045391609 175375098 /nfs/dbraw/zinc/37/50/98/175375098.db2.gz GOEGSAOKXRZDII-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393040 175375498 /nfs/dbraw/zinc/37/54/98/175375498.db2.gz WLXQFAHUAVVHFL-YOEHRIQHSA-N 2 1 298.471 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393040 175375499 /nfs/dbraw/zinc/37/54/99/175375499.db2.gz WLXQFAHUAVVHFL-YOEHRIQHSA-N 2 1 298.471 2.818 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250300 176095012 /nfs/dbraw/zinc/09/50/12/176095012.db2.gz OKOAGCTWSGBWMP-UHFFFAOYSA-N 2 1 264.369 2.978 10 0 CFAEMP C[C@H]([N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267916 176101837 /nfs/dbraw/zinc/10/18/37/176101837.db2.gz CVNZWKJMONMOIW-JTQLQIEISA-N 2 1 265.376 2.976 10 0 CFAEMP CCC[C@@H](CC[NH3+])CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000079244058 177455386 /nfs/dbraw/zinc/45/53/86/177455386.db2.gz JWFMZPJMNXCFIG-CABCVRRESA-N 2 1 256.434 2.643 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262033204 277680501 /nfs/dbraw/zinc/68/05/01/277680501.db2.gz XQYUGTLICXTTSD-HHARLNAUSA-N 2 1 280.456 2.559 10 0 CFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335642765 278048985 /nfs/dbraw/zinc/04/89/85/278048985.db2.gz IJBWPIKRHGVARL-XKGSQUFQSA-N 2 1 264.335 2.838 10 0 CFAEMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000335012982 279258657 /nfs/dbraw/zinc/25/86/57/279258657.db2.gz YFBGVVLEQWNQBL-SJLPKXTDSA-N 2 1 293.499 2.667 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261624168 281017111 /nfs/dbraw/zinc/01/71/11/281017111.db2.gz VAJWXVLSZRMPEZ-ARLBYUKCSA-N 2 1 262.372 2.946 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000571194036 322574538 /nfs/dbraw/zinc/57/45/38/322574538.db2.gz NUKKDZGXJNJUNJ-NEPJUHHUSA-N 2 1 284.350 2.766 10 0 CFAEMP CC(C)C[N@H+](CCN(C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052503302 519716070 /nfs/dbraw/zinc/71/60/70/519716070.db2.gz LIXBWTGBBXJACU-OAHLLOKOSA-N 2 1 271.493 2.530 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052503302 519716071 /nfs/dbraw/zinc/71/60/71/519716071.db2.gz LIXBWTGBBXJACU-OAHLLOKOSA-N 2 1 271.493 2.530 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](CCC)C(C)C)CCOCC1 ZINC000052181407 519910111 /nfs/dbraw/zinc/91/01/11/519910111.db2.gz RPGQSZTUNRKAFF-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197909 519912160 /nfs/dbraw/zinc/91/21/60/519912160.db2.gz WWWZOAIBWOXPAU-UHFFFAOYSA-N 2 1 282.472 2.905 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503366 519913270 /nfs/dbraw/zinc/91/32/70/519913270.db2.gz CIWLGMIXMITAEQ-INIZCTEOSA-N 2 1 271.493 2.674 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372973 519918855 /nfs/dbraw/zinc/91/88/55/519918855.db2.gz VFIPTVQXYZNLPU-CQSZACIVSA-N 2 1 264.413 2.905 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC)O1 ZINC000052447827 519937708 /nfs/dbraw/zinc/93/77/08/519937708.db2.gz RKOQWUZRMOQHOE-ARFHVFGLSA-N 2 1 268.445 2.798 10 0 CFAEMP CCCCC[N@@H+](C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052181469 520148253 /nfs/dbraw/zinc/14/82/53/520148253.db2.gz RIYNTUNOYYIDLO-UHFFFAOYSA-N 2 1 270.461 2.905 10 0 CFAEMP CCCCC[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181471 520149915 /nfs/dbraw/zinc/14/99/15/520149915.db2.gz LNOHWVZOJCWNMO-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[N@@H+](C)CCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052446103 520240627 /nfs/dbraw/zinc/24/06/27/520240627.db2.gz PCMDYJRROIIKIN-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052418757 520479541 /nfs/dbraw/zinc/47/95/41/520479541.db2.gz ZGDHTRWCKKEMHN-UHFFFAOYSA-N 2 1 253.390 2.795 10 0 CFAEMP CCC[N@@H+](CC)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052448376 521609915 /nfs/dbraw/zinc/60/99/15/521609915.db2.gz DHLJFKJPMIVCJU-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181448 521969348 /nfs/dbraw/zinc/96/93/48/521969348.db2.gz PSBIHUYZMQIGQV-CQSZACIVSA-N 2 1 268.445 2.513 10 0 CFAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000052381373 522133474 /nfs/dbraw/zinc/13/34/74/522133474.db2.gz QOWARMSAIFJUEP-AWEZNQCLSA-N 2 1 262.397 2.517 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419394 519723565 /nfs/dbraw/zinc/72/35/65/519723565.db2.gz UVDDONOQOYQGIA-HOTGVXAUSA-N 2 1 268.445 2.797 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC(C)(C)C)O1 ZINC000052570186 519723853 /nfs/dbraw/zinc/72/38/53/519723853.db2.gz VBDWELGMNCYRHL-UONOGXRCSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)C[NH2+]Cc1coc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000052484546 519748359 /nfs/dbraw/zinc/74/83/59/519748359.db2.gz OBYUIPMHYGWXEL-CYBMUJFWSA-N 2 1 250.386 2.867 10 0 CFAEMP CC(C)C[NH2+]Cc1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000061800714 519748815 /nfs/dbraw/zinc/74/88/15/519748815.db2.gz JTLUVLIZWOMWIY-CMPLNLGQSA-N 2 1 265.426 2.580 10 0 CFAEMP CC(C)C[NH2+]Cc1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000061800714 519748816 /nfs/dbraw/zinc/74/88/16/519748816.db2.gz JTLUVLIZWOMWIY-CMPLNLGQSA-N 2 1 265.426 2.580 10 0 CFAEMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262001580 519843341 /nfs/dbraw/zinc/84/33/41/519843341.db2.gz UPZVNRGGLDIBSY-BZUAXINKSA-N 2 1 280.456 2.704 10 0 CFAEMP CCCC1CC[NH+](CCC[C@](C)([NH3+])C(=O)OCC)CC1 ZINC000050905761 519900778 /nfs/dbraw/zinc/90/07/78/519900778.db2.gz YNDNFTYKLIDOTP-INIZCTEOSA-N 2 1 284.444 2.559 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000052483121 519913149 /nfs/dbraw/zinc/91/31/49/519913149.db2.gz XYJZCEPEJSOLCV-OAHLLOKOSA-N 2 1 263.429 2.724 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](Cc2ccco2)C2CC2)CCOCC1 ZINC000052197934 519913230 /nfs/dbraw/zinc/91/32/30/519913230.db2.gz PUKJITDIMHVNDN-UHFFFAOYSA-N 2 1 292.423 2.650 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](Cc2ccco2)C2CC2)CCOCC1 ZINC000052197934 519913232 /nfs/dbraw/zinc/91/32/32/519913232.db2.gz PUKJITDIMHVNDN-UHFFFAOYSA-N 2 1 292.423 2.650 10 0 CFAEMP CCNC[C@@H](C(C)C)[N@@H+](CCOC)C(CC)CC ZINC000052573259 519930335 /nfs/dbraw/zinc/93/03/35/519930335.db2.gz UMTYONWXBOWBKW-HNNXBMFYSA-N 2 1 258.450 2.758 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CC)O1 ZINC000052447831 519937897 /nfs/dbraw/zinc/93/78/97/519937897.db2.gz RKOQWUZRMOQHOE-XHSDSOJGSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416595 519938590 /nfs/dbraw/zinc/93/85/90/519938590.db2.gz UGSXMYQAZNSUGG-HUUCEWRRSA-N 2 1 294.464 2.653 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)Cc2ccccc2)O1 ZINC000052443812 519950765 /nfs/dbraw/zinc/95/07/65/519950765.db2.gz ZCOUURLJQUYKJP-IRXDYDNUSA-N 2 1 276.424 2.666 10 0 CFAEMP CCC[NH2+]Cc1ccc(OCC[N@@H+](C)CC)cc1 ZINC000052446114 519952758 /nfs/dbraw/zinc/95/27/58/519952758.db2.gz JJSOZFSUSUNEKF-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CC)[C@H](C)COC ZINC000052504763 519959598 /nfs/dbraw/zinc/95/95/98/519959598.db2.gz DCLRMOSFGQIAKI-CYBMUJFWSA-N 2 1 268.401 2.636 10 0 CFAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](CCOC)CC(C)C ZINC000045602577 519983989 /nfs/dbraw/zinc/98/39/89/519983989.db2.gz OIQFNRUNDFHGNA-HNNXBMFYSA-N 2 1 258.450 2.759 10 0 CFAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000045601844 519985019 /nfs/dbraw/zinc/98/50/19/519985019.db2.gz HMIPLXIAZNCURY-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000052482544 519989343 /nfs/dbraw/zinc/98/93/43/519989343.db2.gz ZTLHCXPWJXLAKW-CJNGLKHVSA-N 2 1 277.412 2.939 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000052482544 519989351 /nfs/dbraw/zinc/98/93/51/519989351.db2.gz ZTLHCXPWJXLAKW-CJNGLKHVSA-N 2 1 277.412 2.939 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)CC(C)C ZINC000052452646 520008980 /nfs/dbraw/zinc/00/89/80/520008980.db2.gz JFYSAZSYTSAWSU-UHFFFAOYSA-N 2 1 264.413 2.763 10 0 CFAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@H]1CCSC1 ZINC000052453329 520009328 /nfs/dbraw/zinc/00/93/28/520009328.db2.gz AVYHWVBJTUHOQL-HNNXBMFYSA-N 2 1 294.464 2.612 10 0 CFAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCc2ccccc2C1 ZINC000052419094 520013824 /nfs/dbraw/zinc/01/38/24/520013824.db2.gz DQVOJISTOOTJLW-UHFFFAOYSA-N 2 1 270.376 2.947 10 0 CFAEMP CCCCC[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181473 520149577 /nfs/dbraw/zinc/14/95/77/520149577.db2.gz BYCAOROLIPGDDA-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+](CC)[C@@H](C)COC ZINC000053871484 520219499 /nfs/dbraw/zinc/21/94/99/520219499.db2.gz SKNDBYPHZUXIPY-JONQDZQNSA-N 2 1 270.461 2.758 10 0 CFAEMP CCC[C@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181889 521032993 /nfs/dbraw/zinc/03/29/93/521032993.db2.gz DKIILBSTWKNBSK-AWEZNQCLSA-N 2 1 268.445 2.656 10 0 CFAEMP CCCC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538839 521216565 /nfs/dbraw/zinc/21/65/65/521216565.db2.gz ANXOPOXHLWETGN-CABZTGNLSA-N 2 1 255.431 2.928 10 0 CFAEMP CC[N@@H+](Cc1cccs1)Cc1occc1C[NH3+] ZINC000052546351 521409636 /nfs/dbraw/zinc/40/96/36/521409636.db2.gz IBTQUTPHMKYVHF-UHFFFAOYSA-N 2 1 250.367 2.822 10 0 CFAEMP CCC[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181337 521483885 /nfs/dbraw/zinc/48/38/85/521483885.db2.gz AHOKEBAJZQLJKV-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCN1CCC([N@@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052543937 521560659 /nfs/dbraw/zinc/56/06/59/521560659.db2.gz IPMOXCKGMQBPQI-UHFFFAOYSA-N 2 1 269.477 2.571 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052543937 521560669 /nfs/dbraw/zinc/56/06/69/521560669.db2.gz IPMOXCKGMQBPQI-UHFFFAOYSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052543937 521560677 /nfs/dbraw/zinc/56/06/77/521560677.db2.gz IPMOXCKGMQBPQI-UHFFFAOYSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000049220568 521627410 /nfs/dbraw/zinc/62/74/10/521627410.db2.gz VAKCKGQJQBHGHD-LLVKDONJSA-N 2 1 278.787 2.929 10 0 CFAEMP CC[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000049220568 521627414 /nfs/dbraw/zinc/62/74/14/521627414.db2.gz VAKCKGQJQBHGHD-LLVKDONJSA-N 2 1 278.787 2.929 10 0 CFAEMP C[NH2+]C[C@H](O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000061702385 522078165 /nfs/dbraw/zinc/07/81/65/522078165.db2.gz BGHBRXWFFQSDBK-SJORKVTESA-N 2 1 276.424 2.522 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1ccccc1C[NH2+]C ZINC000052547447 522092730 /nfs/dbraw/zinc/09/27/30/522092730.db2.gz BGKZKXLTQAYIAI-CQSZACIVSA-N 2 1 264.413 2.653 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346393 522096926 /nfs/dbraw/zinc/09/69/26/522096926.db2.gz ADVQEQXWYCVPGH-HUUCEWRRSA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1cc(C[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000052419178 522105995 /nfs/dbraw/zinc/10/59/95/522105995.db2.gz PERCONVOPKUQEG-UHFFFAOYSA-N 2 1 270.376 2.866 10 0 CFAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000052455930 522133053 /nfs/dbraw/zinc/13/30/53/522133053.db2.gz TXFAJYJFHCVSLH-UHFFFAOYSA-N 2 1 258.365 2.939 10 0 CFAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCOC(C)(C)C1 ZINC000052481798 522159240 /nfs/dbraw/zinc/15/92/40/522159240.db2.gz HYHYCBLCXLJAIH-UHFFFAOYSA-N 2 1 288.391 2.763 10 0 CFAEMP CCc1[nH+]ccn1Cc1ccccc1C[NH2+]C1CC1 ZINC000052593223 522587540 /nfs/dbraw/zinc/58/75/40/522587540.db2.gz WLOSQDGKMZNLDN-UHFFFAOYSA-N 2 1 255.365 2.746 10 0 CFAEMP CC[C@H]1CCC[N@H+]1CCOc1ccccc1C[NH2+]C ZINC000052375103 523107452 /nfs/dbraw/zinc/10/74/52/523107452.db2.gz VDTVFLFRBDSZDI-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)cc1)CC1(C[NH3+])CCOCC1 ZINC000052197867 523228214 /nfs/dbraw/zinc/22/82/14/523228214.db2.gz AGZPYXIOHGUUFI-UHFFFAOYSA-N 2 1 282.815 2.527 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2OC)C1 ZINC000050124917 523253636 /nfs/dbraw/zinc/25/36/36/523253636.db2.gz XJKIMPXFXZLDFI-CYBMUJFWSA-N 2 1 262.397 2.776 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375094 523268457 /nfs/dbraw/zinc/26/84/57/523268457.db2.gz RSGXHJQHXQDORW-CYBMUJFWSA-N 2 1 265.401 2.937 10 0 CFAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCC[NH2+]CC(C)C ZINC000052570769 523505920 /nfs/dbraw/zinc/50/59/20/523505920.db2.gz CLXZZSVIXMYVTR-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C[NH3+])cc1 ZINC000069401303 524006791 /nfs/dbraw/zinc/00/67/91/524006791.db2.gz GUJHBYZMFLSPKX-UHFFFAOYSA-N 2 1 288.366 2.925 10 0 CFAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453497 524142708 /nfs/dbraw/zinc/14/27/08/524142708.db2.gz MHPCWGGGCQCSNP-CHWSQXEVSA-N 2 1 258.475 2.981 10 0 CFAEMP C[C@H](CC[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425417 524193014 /nfs/dbraw/zinc/19/30/14/524193014.db2.gz JYYCFXAVVNOESM-GFCCVEGCSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@H](CC[NH2+]C1CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425417 524193024 /nfs/dbraw/zinc/19/30/24/524193024.db2.gz JYYCFXAVVNOESM-GFCCVEGCSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@@H]1CCC[C@@](CNCC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205801 524339206 /nfs/dbraw/zinc/33/92/06/524339206.db2.gz AWDWVTMSBAZWDL-FGTMMUONSA-N 2 1 295.515 2.961 10 0 CFAEMP COc1ccccc1C[N@H+](C)[C@@H](C)CC[NH2+]C(C)C ZINC000052542317 524436626 /nfs/dbraw/zinc/43/66/26/524436626.db2.gz RHHLRVBQHGQZNA-AWEZNQCLSA-N 2 1 264.413 2.904 10 0 CFAEMP COc1ccccc1C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)C ZINC000052542317 524436632 /nfs/dbraw/zinc/43/66/32/524436632.db2.gz RHHLRVBQHGQZNA-AWEZNQCLSA-N 2 1 264.413 2.904 10 0 CFAEMP COc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053011705 524456283 /nfs/dbraw/zinc/45/62/83/524456283.db2.gz XCBDHWQQHOIYLO-OAHLLOKOSA-N 2 1 276.424 2.763 10 0 CFAEMP COc1ccccc1C[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053011705 524456293 /nfs/dbraw/zinc/45/62/93/524456293.db2.gz XCBDHWQQHOIYLO-OAHLLOKOSA-N 2 1 276.424 2.763 10 0 CFAEMP Cc1cc(C[N@H+]2CC[C@@H](C)C2)oc1C[NH2+]C(C)C ZINC000052484768 524704346 /nfs/dbraw/zinc/70/43/46/524704346.db2.gz OGAXITMOKKKFST-GFCCVEGCSA-N 2 1 250.386 2.928 10 0 CFAEMP COc1cccc(C[N@@H+](C)Cc2cc(F)ccc2C[NH3+])c1 ZINC000069401309 525913456 /nfs/dbraw/zinc/91/34/56/525913456.db2.gz VEBNRNJHBLRGEG-UHFFFAOYSA-N 2 1 288.366 2.925 10 0 CFAEMP Cc1oc(C[N@@H+]2CCc3sccc3C2)cc1C[NH3+] ZINC000052382979 526773159 /nfs/dbraw/zinc/77/31/59/526773159.db2.gz XKEOFLGJRKALCZ-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP Cc1oc(C[N@H+]2CCc3sccc3C2)cc1C[NH3+] ZINC000052382979 526773165 /nfs/dbraw/zinc/77/31/65/526773165.db2.gz XKEOFLGJRKALCZ-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP Cc1nc(C[N@H+](C)CCC[C@@H]2CCCC[NH2+]2)cs1 ZINC000050953966 526839461 /nfs/dbraw/zinc/83/94/61/526839461.db2.gz MQNNKCBCCBWDAD-ZDUSSCGKSA-N 2 1 267.442 2.806 10 0 CFAEMP Cc1nc(C[N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)cs1 ZINC000050953966 526839465 /nfs/dbraw/zinc/83/94/65/526839465.db2.gz MQNNKCBCCBWDAD-ZDUSSCGKSA-N 2 1 267.442 2.806 10 0 CFAEMP Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)C[NH+]1CCCC1 ZINC000052855080 527123365 /nfs/dbraw/zinc/12/33/65/527123365.db2.gz NDVMGWJQPIXLDH-NSHDSACASA-N 2 1 258.369 2.584 10 0 CFAEMP [NH3+]C1(CNc2cc[nH+]cc2Br)CCCCC1 ZINC000261579177 527132252 /nfs/dbraw/zinc/13/22/52/527132252.db2.gz MDRZNQDUVPMUSQ-UHFFFAOYSA-N 2 1 284.201 2.918 10 0 CFAEMP Cc1[nH+]ccn1CC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000049329697 527432454 /nfs/dbraw/zinc/43/24/54/527432454.db2.gz LJAAFQCORNUMPY-UHFFFAOYSA-N 2 1 259.397 2.750 10 0 CFAEMP CCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262002904 617893026 /nfs/dbraw/zinc/89/30/26/617893026.db2.gz USBOKBPOORPVON-ZKLCHKPXSA-N 2 1 280.456 2.702 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000090715018 618153192 /nfs/dbraw/zinc/15/31/92/618153192.db2.gz JAGKGTOCCVFDRN-QKPAOTATSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000090715018 618153195 /nfs/dbraw/zinc/15/31/95/618153195.db2.gz JAGKGTOCCVFDRN-QKPAOTATSA-N 2 1 280.456 2.654 10 0 CFAEMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697416 618285281 /nfs/dbraw/zinc/28/52/81/618285281.db2.gz CAEUMVPNBPGADH-KSZLIROESA-N 2 1 288.435 2.574 10 0 CFAEMP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399229804 619090238 /nfs/dbraw/zinc/09/02/38/619090238.db2.gz GHDTVMQAHJEHBE-HOTGVXAUSA-N 2 1 282.472 2.638 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]12 ZINC000261621031 619179014 /nfs/dbraw/zinc/17/90/14/619179014.db2.gz UUTKRDGQVKBBPZ-BFHYXJOUSA-N 2 1 266.335 2.793 10 0 CFAEMP C[N@H+](Cc1scnc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000262000920 619363608 /nfs/dbraw/zinc/36/36/08/619363608.db2.gz UCHREZNLDJURJI-GFCCVEGCSA-N 2 1 265.426 2.594 10 0 CFAEMP C[N@@H+](Cc1scnc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000262000920 619363610 /nfs/dbraw/zinc/36/36/10/619363610.db2.gz UCHREZNLDJURJI-GFCCVEGCSA-N 2 1 265.426 2.594 10 0 CFAEMP CCCC[N@@H+](C/C=C\c1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000229944649 623235749 /nfs/dbraw/zinc/23/57/49/623235749.db2.gz KETPQHSSICBLNK-IEODJVTJSA-N 2 1 288.435 2.526 10 0 CFAEMP c1ccc(COc2ccc(CC[NH2+][C@H]3CC[NH2+]C3)cc2)cc1 ZINC000261558340 623546161 /nfs/dbraw/zinc/54/61/61/623546161.db2.gz YEACCTUBWUAKCO-SFHVURJKSA-N 2 1 296.414 2.760 10 0 CFAEMP c1ccc(COc2cccc(CC[NH2+][C@@H]3CC[NH2+]C3)c2)cc1 ZINC000261560347 625128253 /nfs/dbraw/zinc/12/82/53/625128253.db2.gz ZTOLAJKYEGSTKP-GOSISDBHSA-N 2 1 296.414 2.760 10 0 CFAEMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127759595 187331025 /nfs/dbraw/zinc/33/10/25/187331025.db2.gz TYHVGNFLVJRTEK-KSZLIROESA-N 2 1 287.451 2.506 10 0 CFAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151257488 529721228 /nfs/dbraw/zinc/72/12/28/529721228.db2.gz BWURHMANTONQLH-MAUKXSAKSA-N 2 1 290.451 2.746 10 0 CFAEMP CCCC[N@@H+](CCCC[C@@](C)([NH3+])CO)[C@@H](C)CC ZINC000085261454 178990745 /nfs/dbraw/zinc/99/07/45/178990745.db2.gz NZDJEXOYSZZHPG-LSDHHAIUSA-N 2 1 258.450 2.767 10 0 CFAEMP O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000037164658 346328078 /nfs/dbraw/zinc/32/80/78/346328078.db2.gz NEABEQRHLPTZBX-ZWKOTPCHSA-N 2 1 288.435 2.544 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000086818885 179347904 /nfs/dbraw/zinc/34/79/04/179347904.db2.gz SZELPUKNGCWNJK-INIZCTEOSA-N 2 1 284.407 2.651 10 0 CFAEMP C[N@H+]1CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086819051 179348919 /nfs/dbraw/zinc/34/89/19/179348919.db2.gz FXMWOTVWKYKMPW-HNNXBMFYSA-N 2 1 268.351 2.581 10 0 CFAEMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817220 179345385 /nfs/dbraw/zinc/34/53/85/179345385.db2.gz KBLLZMCCJXEKGR-ZIAGYGMSSA-N 2 1 262.397 2.830 10 0 CFAEMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817220 179345388 /nfs/dbraw/zinc/34/53/88/179345388.db2.gz KBLLZMCCJXEKGR-ZIAGYGMSSA-N 2 1 262.397 2.830 10 0 CFAEMP C[NH+](C)Cc1cccc(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817835 179346108 /nfs/dbraw/zinc/34/61/08/179346108.db2.gz UPPKEAKZNKGOJZ-HNNXBMFYSA-N 2 1 261.413 2.644 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356421 /nfs/dbraw/zinc/35/64/21/179356421.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356422 /nfs/dbraw/zinc/35/64/22/179356422.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356423 /nfs/dbraw/zinc/35/64/23/179356423.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356425 /nfs/dbraw/zinc/35/64/25/179356425.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356426 /nfs/dbraw/zinc/35/64/26/179356426.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 1 283.504 2.946 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)C(CC)CC)CC1 ZINC000086847167 179356820 /nfs/dbraw/zinc/35/68/20/179356820.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](C)C(CC)CC)CC1 ZINC000086847167 179356824 /nfs/dbraw/zinc/35/68/24/179356824.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](C)C(CC)CC)CC1 ZINC000086847167 179356825 /nfs/dbraw/zinc/35/68/25/179356825.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](C)C(CC)CC)CC1 ZINC000086847167 179356828 /nfs/dbraw/zinc/35/68/28/179356828.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](C)C(CC)CC)CC1 ZINC000086847167 179356830 /nfs/dbraw/zinc/35/68/30/179356830.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846211 179355715 /nfs/dbraw/zinc/35/57/15/179355715.db2.gz WLXIBONCFCNIMN-QGZVFWFLSA-N 2 1 275.440 2.715 10 0 CFAEMP N[C@]12Cc3ccccc3[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225840929 348180412 /nfs/dbraw/zinc/18/04/12/348180412.db2.gz DDVSAHGGRSVPRQ-MSOLQXFVSA-N 2 1 264.372 2.540 10 0 CFAEMP C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657038 348441933 /nfs/dbraw/zinc/44/19/33/348441933.db2.gz ZXUKBFTWQLIKQT-SNVBAGLBSA-N 2 1 296.827 2.687 10 0 CFAEMP C[N@H+](Cc1cnc(Cl)s1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657038 348441935 /nfs/dbraw/zinc/44/19/35/348441935.db2.gz ZXUKBFTWQLIKQT-SNVBAGLBSA-N 2 1 296.827 2.687 10 0 CFAEMP CCOCC[N@@H+](CC)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104194381 185923928 /nfs/dbraw/zinc/92/39/28/185923928.db2.gz GVYFFMNVQURVGK-GJZGRUSLSA-N 2 1 256.434 2.513 10 0 CFAEMP CCn1cccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000091023036 180088948 /nfs/dbraw/zinc/08/89/48/180088948.db2.gz MYPWHBVUPQPLCR-UHFFFAOYSA-N 2 1 263.429 2.720 10 0 CFAEMP CC1CCC(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629667130 354884360 /nfs/dbraw/zinc/88/43/60/354884360.db2.gz RYUTZXVXOUBFDA-STONLHKKSA-N 2 1 250.430 2.744 10 0 CFAEMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1C(F)(F)F ZINC000630528790 355104212 /nfs/dbraw/zinc/10/42/12/355104212.db2.gz NAWGXDNVRQRVFH-BDAKNGLRSA-N 2 1 293.720 2.699 10 0 CFAEMP C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839509 355602930 /nfs/dbraw/zinc/60/29/30/355602930.db2.gz HETDCHBCPNKLHM-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839509 355602932 /nfs/dbraw/zinc/60/29/32/355602932.db2.gz HETDCHBCPNKLHM-VWYCJHECSA-N 2 1 254.324 2.552 10 0 CFAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839433 355602954 /nfs/dbraw/zinc/60/29/54/355602954.db2.gz GGTBHWBVUCSIOJ-WFASDCNBSA-N 2 1 269.392 2.570 10 0 CFAEMP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180144558 189239543 /nfs/dbraw/zinc/23/95/43/189239543.db2.gz QKGVUALAOHDRCH-CCNLRDMRSA-N 2 1 288.435 2.543 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738181 541029456 /nfs/dbraw/zinc/02/94/56/541029456.db2.gz ZXCQKXJVYPNAMJ-BYCMXARLSA-N 2 1 280.412 2.587 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCOC(C)C)C2)[nH+]1 ZINC000151111951 378296507 /nfs/dbraw/zinc/29/65/07/378296507.db2.gz QFSXQXGQLSFXHE-MRXNPFEDSA-N 2 1 291.439 2.939 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCOC(C)C)C2)[nH+]1 ZINC000151111951 378296512 /nfs/dbraw/zinc/29/65/12/378296512.db2.gz QFSXQXGQLSFXHE-MRXNPFEDSA-N 2 1 291.439 2.939 10 0 CFAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151266468 378311783 /nfs/dbraw/zinc/31/17/83/378311783.db2.gz VYMLXOCWZAOKMV-DLBZAZTESA-N 2 1 276.424 2.574 10 0 CFAEMP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601498 380530635 /nfs/dbraw/zinc/53/06/35/380530635.db2.gz JHLUDBHIJMJQHO-RYUDHWBXSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(F)(F)F ZINC000336601498 380530638 /nfs/dbraw/zinc/53/06/38/380530638.db2.gz JHLUDBHIJMJQHO-RYUDHWBXSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(F)(F)F ZINC000336601498 380530642 /nfs/dbraw/zinc/53/06/42/380530642.db2.gz JHLUDBHIJMJQHO-RYUDHWBXSA-N 2 1 264.335 2.603 10 0 CFAEMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(F)(F)F ZINC000336601498 380530646 /nfs/dbraw/zinc/53/06/46/380530646.db2.gz JHLUDBHIJMJQHO-RYUDHWBXSA-N 2 1 264.335 2.603 10 0 CFAEMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300280999 382058557 /nfs/dbraw/zinc/05/85/57/382058557.db2.gz YOKDBQMJUITVJA-GJZGRUSLSA-N 2 1 266.429 2.552 10 0 CFAEMP Clc1ccc2c(NC[C@H]3C[NH2+]CCCO3)cc[nH+]c2c1 ZINC000390069486 382617924 /nfs/dbraw/zinc/61/79/24/382617924.db2.gz NCLIEHKPQARXEY-GFCCVEGCSA-N 2 1 291.782 2.679 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190641145 382675958 /nfs/dbraw/zinc/67/59/58/382675958.db2.gz TXJJUHRZIFBZFS-IAGOWNOFSA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000190641145 382675960 /nfs/dbraw/zinc/67/59/60/382675960.db2.gz TXJJUHRZIFBZFS-IAGOWNOFSA-N 2 1 291.439 2.597 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247107182 383143825 /nfs/dbraw/zinc/14/38/25/383143825.db2.gz OXXYMFINKVDGOI-INMHGKMJSA-N 2 1 276.424 2.664 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247107182 383143829 /nfs/dbraw/zinc/14/38/29/383143829.db2.gz OXXYMFINKVDGOI-INMHGKMJSA-N 2 1 276.424 2.664 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000261564233 383513807 /nfs/dbraw/zinc/51/38/07/383513807.db2.gz XPJIIQSQVFEVIC-KWCYVHTRSA-N 2 1 250.773 2.509 10 0 CFAEMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261572929 383516143 /nfs/dbraw/zinc/51/61/43/383516143.db2.gz MBPQEHJUSWTSJC-QEJZJMRPSA-N 2 1 262.422 2.578 10 0 CFAEMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261572928 383516627 /nfs/dbraw/zinc/51/66/27/383516627.db2.gz MBPQEHJUSWTSJC-NWANDNLSSA-N 2 1 262.422 2.578 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000261578444 383518573 /nfs/dbraw/zinc/51/85/73/383518573.db2.gz OZEGFFIORZEHDM-MISXGVKJSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000261578444 383518575 /nfs/dbraw/zinc/51/85/75/383518575.db2.gz OZEGFFIORZEHDM-MISXGVKJSA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588737 383522440 /nfs/dbraw/zinc/52/24/40/383522440.db2.gz KIKOSWKDRVPLMF-BRWVUGGUSA-N 2 1 256.393 2.733 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594377 383523637 /nfs/dbraw/zinc/52/36/37/383523637.db2.gz NNVFIOHJQFMVML-JLBHGKSJSA-N 2 1 266.335 2.695 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594377 383523640 /nfs/dbraw/zinc/52/36/40/383523640.db2.gz NNVFIOHJQFMVML-JLBHGKSJSA-N 2 1 266.335 2.695 10 0 CFAEMP CC(C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261881420 383574260 /nfs/dbraw/zinc/57/42/60/383574260.db2.gz FJKPFOKUULCWGK-ILEACXBISA-N 2 1 294.483 2.948 10 0 CFAEMP C1[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000261886626 383575270 /nfs/dbraw/zinc/57/52/70/383575270.db2.gz FYTPLCAZNHZFMO-JCECYMMASA-N 2 1 292.467 2.702 10 0 CFAEMP C1[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000261886627 383575595 /nfs/dbraw/zinc/57/55/95/383575595.db2.gz FYTPLCAZNHZFMO-MDMSPXHWSA-N 2 1 292.467 2.702 10 0 CFAEMP CCc1csc([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961735 383587186 /nfs/dbraw/zinc/58/71/86/383587186.db2.gz HJJJVDPGBCSJPS-CJNGLKHVSA-N 2 1 293.480 2.885 10 0 CFAEMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261986728 383590976 /nfs/dbraw/zinc/59/09/76/383590976.db2.gz RYHGZALTICIBRI-DUVNUKRYSA-N 2 1 262.372 2.557 10 0 CFAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000262017753 383594489 /nfs/dbraw/zinc/59/44/89/383594489.db2.gz WHNNHSJZMHCHBH-KZNAEPCWSA-N 2 1 288.435 2.550 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262037183 383596902 /nfs/dbraw/zinc/59/69/02/383596902.db2.gz YAYPZRFQCUQKDS-BBWFWOEESA-N 2 1 294.483 2.950 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262044802 383599846 /nfs/dbraw/zinc/59/98/46/383599846.db2.gz YYMJDYGJRJZIMK-OAGGEKHMSA-N 2 1 280.456 2.559 10 0 CFAEMP CCN(C)c1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000262050307 383600110 /nfs/dbraw/zinc/60/01/10/383600110.db2.gz ZOCDRSDRHUVQEO-MRXNPFEDSA-N 2 1 290.455 2.502 10 0 CFAEMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262087874 383603971 /nfs/dbraw/zinc/60/39/71/383603971.db2.gz GJKWMRVZIJTVPX-VZJVUDMVSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262087874 383603978 /nfs/dbraw/zinc/60/39/78/383603978.db2.gz GJKWMRVZIJTVPX-VZJVUDMVSA-N 2 1 280.799 2.518 10 0 CFAEMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261787705 383561778 /nfs/dbraw/zinc/56/17/78/383561778.db2.gz OGADVPBCHLDRCK-CVEARBPZSA-N 2 1 260.425 2.857 10 0 CFAEMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038041302 292017597 /nfs/dbraw/zinc/01/75/97/292017597.db2.gz RVGDQEHCHWTOIR-CQSZACIVSA-N 2 1 262.397 2.943 10 0 CFAEMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261940807 289003030 /nfs/dbraw/zinc/00/30/30/289003030.db2.gz MRQGKWSLTZGWGZ-IJLUTSLNSA-N 2 1 264.335 2.649 10 0 CFAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645265 393565776 /nfs/dbraw/zinc/56/57/76/393565776.db2.gz XQVDCAQKSKXTHS-AGIUHOORSA-N 2 1 260.372 2.871 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1C ZINC000045171402 393569868 /nfs/dbraw/zinc/56/98/68/393569868.db2.gz ZOXGKNXTKBCFBQ-IUODEOHRSA-N 2 1 278.444 2.512 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000045171433 393569900 /nfs/dbraw/zinc/56/99/00/393569900.db2.gz IBMUHBJZCRLPCM-DOMZBBRYSA-N 2 1 290.455 2.655 10 0 CFAEMP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460874 393781734 /nfs/dbraw/zinc/78/17/34/393781734.db2.gz QSRQIXTUGASNCO-ZDUSSCGKSA-N 2 1 284.350 2.862 10 0 CFAEMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000234933294 393783480 /nfs/dbraw/zinc/78/34/80/393783480.db2.gz WUEVHEHACTWGDP-ZDUSSCGKSA-N 2 1 282.815 2.780 10 0 CFAEMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000234933294 393783483 /nfs/dbraw/zinc/78/34/83/393783483.db2.gz WUEVHEHACTWGDP-ZDUSSCGKSA-N 2 1 282.815 2.780 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000248042261 393904578 /nfs/dbraw/zinc/90/45/78/393904578.db2.gz TYZMBFIITPYLAN-NFAWXSAZSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000248042261 393904581 /nfs/dbraw/zinc/90/45/81/393904581.db2.gz TYZMBFIITPYLAN-NFAWXSAZSA-N 2 1 260.381 2.583 10 0 CFAEMP c1cn(C[C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)cn1 ZINC000188398320 543062078 /nfs/dbraw/zinc/06/20/78/543062078.db2.gz YZJPIZKVFZLHJR-KRWDZBQOSA-N 2 1 295.386 2.824 10 0 CFAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000401785848 413171222 /nfs/dbraw/zinc/17/12/22/413171222.db2.gz ZQEOMCPQBMCPLS-WNYYMSAVSA-N 2 1 264.335 2.695 10 0 CFAEMP C=COCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020197086 171061343 /nfs/dbraw/zinc/06/13/43/171061343.db2.gz RJXGNGFTEMZCOU-UHFFFAOYSA-N 2 1 274.408 2.791 10 0 CFAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000022239039 171381729 /nfs/dbraw/zinc/38/17/29/171381729.db2.gz AVCXVGRVKASBHH-AWEZNQCLSA-N 2 1 297.402 2.604 10 0 CFAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000022239039 171381730 /nfs/dbraw/zinc/38/17/30/171381730.db2.gz AVCXVGRVKASBHH-AWEZNQCLSA-N 2 1 297.402 2.604 10 0 CFAEMP CC(C)[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451702 172205082 /nfs/dbraw/zinc/20/50/82/172205082.db2.gz IRNQMLNMTFZYHJ-ZFWWWQNUSA-N 2 1 252.402 2.777 10 0 CFAEMP CCC[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C(C)C ZINC000035659164 172335446 /nfs/dbraw/zinc/33/54/46/172335446.db2.gz XPFJJUBPYHOUOT-UHFFFAOYSA-N 2 1 260.385 2.808 10 0 CFAEMP CCC[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C(C)C ZINC000035659164 172335449 /nfs/dbraw/zinc/33/54/49/172335449.db2.gz XPFJJUBPYHOUOT-UHFFFAOYSA-N 2 1 260.385 2.808 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210005 173032002 /nfs/dbraw/zinc/03/20/02/173032002.db2.gz KEXWCUKQUWBRQY-TZMCWYRMSA-N 2 1 250.361 2.646 10 0 CFAEMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665298999 414272595 /nfs/dbraw/zinc/27/25/95/414272595.db2.gz DSDIYOBXIPVGEH-GHMZBOCLSA-N 2 1 287.329 2.578 10 0 CFAEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000040622102 174355125 /nfs/dbraw/zinc/35/51/25/174355125.db2.gz ZXOLZMUQFIORRN-GOEBONIOSA-N 2 1 274.408 2.830 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000040622102 174355127 /nfs/dbraw/zinc/35/51/27/174355127.db2.gz ZXOLZMUQFIORRN-GOEBONIOSA-N 2 1 274.408 2.830 10 0 CFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc3c(s1)CCC3)C2 ZINC000040625994 174356246 /nfs/dbraw/zinc/35/62/46/174356246.db2.gz ZBAXFTVRWISMSR-AGUYFDCRSA-N 2 1 276.449 2.952 10 0 CFAEMP CC[N@@H+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748226 174393158 /nfs/dbraw/zinc/39/31/58/174393158.db2.gz IUAOXTYIRIEYDO-XYPWUTKMSA-N 2 1 274.408 2.670 10 0 CFAEMP CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)n1cc[nH+]c1C ZINC000042962262 174927111 /nfs/dbraw/zinc/92/71/11/174927111.db2.gz FVMDUFOYHHFXKS-GJZGRUSLSA-N 2 1 259.353 2.527 10 0 CFAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093682 174964517 /nfs/dbraw/zinc/96/45/17/174964517.db2.gz MILZDJDAYUGZDE-TVQRCGJNSA-N 2 1 294.196 2.891 10 0 CFAEMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326316 175007631 /nfs/dbraw/zinc/00/76/31/175007631.db2.gz IQCOCKJJEIALAR-BXUZGUMPSA-N 2 1 252.789 2.613 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1ccncc1)n1cc[nH+]c1C(C)C ZINC000043354958 175023081 /nfs/dbraw/zinc/02/30/81/175023081.db2.gz WAWDRJFUJWDPTF-KGLIPLIRSA-N 2 1 258.369 2.728 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CC)C1CCCCC1 ZINC000043804296 175107651 /nfs/dbraw/zinc/10/76/51/175107651.db2.gz DKHCQIGMODDRNN-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CC)C1CCCCC1 ZINC000043804296 175107652 /nfs/dbraw/zinc/10/76/52/175107652.db2.gz DKHCQIGMODDRNN-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890359 175118059 /nfs/dbraw/zinc/11/80/59/175118059.db2.gz OJNUXTQWDCSFNK-HOTGVXAUSA-N 2 1 268.445 2.798 10 0 CFAEMP CCOC1CC[NH+]([C@@H]2CCCCCC[C@H]2[NH2+]C)CC1 ZINC000043906949 175122402 /nfs/dbraw/zinc/12/24/02/175122402.db2.gz UYCFKOFNWJLTLE-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902073 175122481 /nfs/dbraw/zinc/12/24/81/175122481.db2.gz XRHHSYRPOHWNRV-DLBZAZTESA-N 2 1 275.440 2.867 10 0 CFAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902073 175122482 /nfs/dbraw/zinc/12/24/82/175122482.db2.gz XRHHSYRPOHWNRV-DLBZAZTESA-N 2 1 275.440 2.867 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043915110 175124274 /nfs/dbraw/zinc/12/42/74/175124274.db2.gz IKZSJFFVLXNIMW-JKSUJKDBSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043915110 175124276 /nfs/dbraw/zinc/12/42/76/175124276.db2.gz IKZSJFFVLXNIMW-JKSUJKDBSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043916540 175125464 /nfs/dbraw/zinc/12/54/64/175125464.db2.gz JKMKHBCEMDMJLK-AWEZNQCLSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC)CC(CC)CC ZINC000043967114 175128309 /nfs/dbraw/zinc/12/83/09/175128309.db2.gz RFDKDPWRNNYBGN-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC)CC(CC)CC ZINC000043967114 175128310 /nfs/dbraw/zinc/12/83/10/175128310.db2.gz RFDKDPWRNNYBGN-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C ZINC000043973111 175132886 /nfs/dbraw/zinc/13/28/86/175132886.db2.gz CIJBMLYVTZGLEF-YHUYYLMFSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972926 175133049 /nfs/dbraw/zinc/13/30/49/175133049.db2.gz PMLFCYPSFXOANV-JYJNAYRXSA-N 2 1 298.471 2.627 10 0 CFAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)CC(C)C)OCCO2 ZINC000043972926 175133051 /nfs/dbraw/zinc/13/30/51/175133051.db2.gz PMLFCYPSFXOANV-JYJNAYRXSA-N 2 1 298.471 2.627 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](CC)[C@@H](C)COC ZINC000043981527 175134152 /nfs/dbraw/zinc/13/41/52/175134152.db2.gz JTATUSREYIZANF-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](CC)[C@@H](C)COC ZINC000043981527 175134154 /nfs/dbraw/zinc/13/41/54/175134154.db2.gz JTATUSREYIZANF-ZNMIVQPWSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981749 175134173 /nfs/dbraw/zinc/13/41/73/175134173.db2.gz FFNZXVYAUFZFMW-UGUYLWEFSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981749 175134175 /nfs/dbraw/zinc/13/41/75/175134175.db2.gz FFNZXVYAUFZFMW-UGUYLWEFSA-N 2 1 270.461 2.900 10 0 CFAEMP CCCOc1ccc([C@@H](Cn2cc[nH+]c2C)[NH2+]C)cc1 ZINC000043994517 175136735 /nfs/dbraw/zinc/13/67/35/175136735.db2.gz QWAIMPCWDZHBOD-MRXNPFEDSA-N 2 1 273.380 2.941 10 0 CFAEMP CCc1[nH+]ccn1C[C@@H]([NH2+]C)c1ccc(CC)cc1 ZINC000044037478 175139643 /nfs/dbraw/zinc/13/96/43/175139643.db2.gz DYWHHULIRMHUBC-OAHLLOKOSA-N 2 1 257.381 2.969 10 0 CFAEMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532874 175196365 /nfs/dbraw/zinc/19/63/65/175196365.db2.gz OMGFDVRIPRUVOR-ZBFHGGJFSA-N 2 1 275.440 2.999 10 0 CFAEMP CC(C)C[C@@H]1CSC(NC[C@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563827 175207433 /nfs/dbraw/zinc/20/74/33/175207433.db2.gz FBTFJIXHLHOKDE-CHWSQXEVSA-N 2 1 269.458 2.578 10 0 CFAEMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000044573226 175210275 /nfs/dbraw/zinc/21/02/75/175210275.db2.gz DXOPTYBAJWTHFO-UHFFFAOYSA-N 2 1 294.439 2.914 10 0 CFAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747325 175243270 /nfs/dbraw/zinc/24/32/70/175243270.db2.gz OPLUBJLDXYTSPT-SUMWQHHRSA-N 2 1 274.408 2.701 10 0 CFAEMP C[N@@H+](CCCC(=O)Nc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068507 175299866 /nfs/dbraw/zinc/29/98/66/175299866.db2.gz DFMLLLRGSPIORW-UHFFFAOYSA-N 2 1 291.439 2.842 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000045168534 175319998 /nfs/dbraw/zinc/31/99/98/175319998.db2.gz LQHGKBUYTJAILZ-NSHDSACASA-N 2 1 292.471 2.997 10 0 CFAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045171895 175320850 /nfs/dbraw/zinc/32/08/50/175320850.db2.gz AXMWLUSIDFOXQS-RJPYNODJSA-N 2 1 290.455 2.560 10 0 CFAEMP CCCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000045282670 175353722 /nfs/dbraw/zinc/35/37/22/175353722.db2.gz CJDKHDQCTMFNAX-HOCLYGCPSA-N 2 1 285.476 2.519 10 0 CFAEMP CCCC[N@@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000045282670 175353724 /nfs/dbraw/zinc/35/37/24/175353724.db2.gz CJDKHDQCTMFNAX-HOCLYGCPSA-N 2 1 285.476 2.519 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)C1CCCCC1 ZINC000045372394 175365041 /nfs/dbraw/zinc/36/50/41/175365041.db2.gz PXWJQYKTGKDLRZ-INIZCTEOSA-N 2 1 284.444 2.702 10 0 CFAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379630 175368225 /nfs/dbraw/zinc/36/82/25/175368225.db2.gz BWZUWKXZIVFWSO-UXLLHSPISA-N 2 1 297.487 2.662 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381700 175369832 /nfs/dbraw/zinc/36/98/32/175369832.db2.gz ZONMHGKSQXMRCT-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381700 175369834 /nfs/dbraw/zinc/36/98/34/175369834.db2.gz ZONMHGKSQXMRCT-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383683 175371167 /nfs/dbraw/zinc/37/11/67/175371167.db2.gz SZHIVPKEJNDQOF-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383683 175371168 /nfs/dbraw/zinc/37/11/68/175371168.db2.gz SZHIVPKEJNDQOF-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385841 175371924 /nfs/dbraw/zinc/37/19/24/175371924.db2.gz CULYBSGZDKMSFW-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385841 175371925 /nfs/dbraw/zinc/37/19/25/175371925.db2.gz CULYBSGZDKMSFW-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045388145 175373854 /nfs/dbraw/zinc/37/38/54/175373854.db2.gz GXRFFCYAJKTYLF-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045388145 175373855 /nfs/dbraw/zinc/37/38/55/175373855.db2.gz GXRFFCYAJKTYLF-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C1CC1)C(=O)OCC ZINC000045387625 175373921 /nfs/dbraw/zinc/37/39/21/175373921.db2.gz GOEOCXJWQPAJDM-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045387625 175373922 /nfs/dbraw/zinc/37/39/22/175373922.db2.gz GOEOCXJWQPAJDM-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045388185 175374017 /nfs/dbraw/zinc/37/40/17/175374017.db2.gz AGBOWSFHPLPTGX-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045388185 175374018 /nfs/dbraw/zinc/37/40/18/175374018.db2.gz AGBOWSFHPLPTGX-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390638 175374372 /nfs/dbraw/zinc/37/43/72/175374372.db2.gz JBHDJQMSTAICCH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390638 175374373 /nfs/dbraw/zinc/37/43/73/175374373.db2.gz JBHDJQMSTAICCH-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391441 175374608 /nfs/dbraw/zinc/37/46/08/175374608.db2.gz WEEKYHAXDRIOTA-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391441 175374609 /nfs/dbraw/zinc/37/46/09/175374609.db2.gz WEEKYHAXDRIOTA-MRXNPFEDSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390617 175374934 /nfs/dbraw/zinc/37/49/34/175374934.db2.gz ZNQJASSGARBVHI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390617 175374937 /nfs/dbraw/zinc/37/49/37/175374937.db2.gz ZNQJASSGARBVHI-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C(CC)CC ZINC000045391397 175374980 /nfs/dbraw/zinc/37/49/80/175374980.db2.gz CBIFYPHISRIGQI-HNNXBMFYSA-N 2 1 272.433 2.558 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391979 175375329 /nfs/dbraw/zinc/37/53/29/175375329.db2.gz YVAFWVNMBNCQON-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391979 175375330 /nfs/dbraw/zinc/37/53/30/175375330.db2.gz YVAFWVNMBNCQON-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045419139 175377266 /nfs/dbraw/zinc/37/72/66/175377266.db2.gz NUDISSBFWJVVCE-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045419139 175377267 /nfs/dbraw/zinc/37/72/67/175377267.db2.gz NUDISSBFWJVVCE-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419340 175377990 /nfs/dbraw/zinc/37/79/90/175377990.db2.gz IOULDICSLALUSW-UXLLHSPISA-N 2 1 296.455 2.559 10 0 CFAEMP COc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC000575141525 335072057 /nfs/dbraw/zinc/07/20/57/335072057.db2.gz IPDIIVRZDYCWMI-CZIWCDLHSA-N 2 1 288.435 2.961 10 0 CFAEMP CCOc1ccc([C@H](C)[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142252 176039887 /nfs/dbraw/zinc/03/98/87/176039887.db2.gz KOOYYGUEZQDLIS-UONOGXRCSA-N 2 1 262.397 2.688 10 0 CFAEMP C[NH2+]C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000071148208 176044160 /nfs/dbraw/zinc/04/41/60/176044160.db2.gz ZJWDEHRODOWMDR-NSHDSACASA-N 2 1 275.783 2.934 10 0 CFAEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267693 176101216 /nfs/dbraw/zinc/10/12/16/176101216.db2.gz DSNHVYLGBACFNI-JTQLQIEISA-N 2 1 251.349 2.730 10 0 CFAEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267649 176101299 /nfs/dbraw/zinc/10/12/99/176101299.db2.gz REWMPSCYVRKYRR-SNVBAGLBSA-N 2 1 251.349 2.588 10 0 CFAEMP CC[C@H]1C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401700 176153812 /nfs/dbraw/zinc/15/38/12/176153812.db2.gz ZACSHDZRRXZNSX-HOTGVXAUSA-N 2 1 262.397 2.577 10 0 CFAEMP COc1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000076519267 177032470 /nfs/dbraw/zinc/03/24/70/177032470.db2.gz FBJRIFDIWHCMFN-INIZCTEOSA-N 2 1 276.424 2.558 10 0 CFAEMP C[N@@H+](CCc1ccncc1)CC[C@H]1[NH2+]CCc2ccccc21 ZINC000076567862 177039587 /nfs/dbraw/zinc/03/95/87/177039587.db2.gz AFUGTYOGSFYNAH-LJQANCHMSA-N 2 1 295.430 2.833 10 0 CFAEMP C[N@H+](CCc1ccncc1)CC[C@H]1[NH2+]CCc2ccccc21 ZINC000076567862 177039588 /nfs/dbraw/zinc/03/95/88/177039588.db2.gz AFUGTYOGSFYNAH-LJQANCHMSA-N 2 1 295.430 2.833 10 0 CFAEMP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000258773716 270274850 /nfs/dbraw/zinc/27/48/50/270274850.db2.gz AUOZEXPNNOXDBK-VIFPVBQESA-N 2 1 259.180 2.693 10 0 CFAEMP CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261881423 275872662 /nfs/dbraw/zinc/87/26/62/275872662.db2.gz FJKPFOKUULCWGK-YXYCDRMUSA-N 2 1 294.483 2.948 10 0 CFAEMP C[C@H]1CCC[C@@](C[NH2+]CC2CCOCC2)([NH+](C)C)C1 ZINC000052172304 278349163 /nfs/dbraw/zinc/34/91/63/278349163.db2.gz NQZMYPXBMFHVIM-GOEBONIOSA-N 2 1 268.445 2.513 10 0 CFAEMP CC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249454969 281058584 /nfs/dbraw/zinc/05/85/84/281058584.db2.gz DHPXMVSXOKPOSU-RDJZCZTQSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249454969 281058585 /nfs/dbraw/zinc/05/85/85/281058585.db2.gz DHPXMVSXOKPOSU-RDJZCZTQSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249454969 281058586 /nfs/dbraw/zinc/05/85/86/281058586.db2.gz DHPXMVSXOKPOSU-RDJZCZTQSA-N 2 1 275.440 2.881 10 0 CFAEMP CC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249454969 281058587 /nfs/dbraw/zinc/05/85/87/281058587.db2.gz DHPXMVSXOKPOSU-RDJZCZTQSA-N 2 1 275.440 2.881 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011843 519723459 /nfs/dbraw/zinc/72/34/59/519723459.db2.gz QUTPBLAFTJHQKY-HNNXBMFYSA-N 2 1 264.388 2.688 10 0 CFAEMP CC(C)[NH2+]Cc1occc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453283 519730188 /nfs/dbraw/zinc/73/01/88/519730188.db2.gz PTWDGTJWFUWACT-ZDUSSCGKSA-N 2 1 268.426 2.715 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478861 519743575 /nfs/dbraw/zinc/74/35/75/519743575.db2.gz IITFECKWHDKYNY-OAHLLOKOSA-N 2 1 263.429 2.928 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197551 519853707 /nfs/dbraw/zinc/85/37/07/519853707.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 2 1 283.504 2.673 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197551 519853708 /nfs/dbraw/zinc/85/37/08/519853708.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 2 1 283.504 2.673 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197551 519853710 /nfs/dbraw/zinc/85/37/10/519853710.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 2 1 283.504 2.673 10 0 CFAEMP CCC[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421977 519859787 /nfs/dbraw/zinc/85/97/87/519859787.db2.gz MSQJQRHJEHRBBN-HNNXBMFYSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000052483122 519912790 /nfs/dbraw/zinc/91/27/90/519912790.db2.gz XYJZCEPEJSOLCV-HNNXBMFYSA-N 2 1 263.429 2.724 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503365 519912862 /nfs/dbraw/zinc/91/28/62/519912862.db2.gz CIWLGMIXMITAEQ-MRXNPFEDSA-N 2 1 271.493 2.674 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H](C)CC)O1 ZINC000052454361 519923854 /nfs/dbraw/zinc/92/38/54/519923854.db2.gz NDKBPCPQYHNBLD-SOUVJXGZSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CCC)C(C)C)O1 ZINC000052450564 519927139 /nfs/dbraw/zinc/92/71/39/519927139.db2.gz AQZMWTMDOPDMBF-LSDHHAIUSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCCC[N@@H+](C)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052454917 520153386 /nfs/dbraw/zinc/15/33/86/520153386.db2.gz ZNZVGSDQGXIVPM-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP C[NH2+]C[C@H](C)C[N@H+](C)Cc1cc(Br)cs1 ZINC000052516944 522070298 /nfs/dbraw/zinc/07/02/98/522070298.db2.gz IXNFIJSUSJMRFL-VIFPVBQESA-N 2 1 291.258 2.798 10 0 CFAEMP C[NH2+]C[C@H](C)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000052516944 522070308 /nfs/dbraw/zinc/07/03/08/522070308.db2.gz IXNFIJSUSJMRFL-VIFPVBQESA-N 2 1 291.258 2.798 10 0 CFAEMP CC(C)CCNC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049283832 519655890 /nfs/dbraw/zinc/65/58/90/519655890.db2.gz MCJGDCYAHWYNCZ-UHFFFAOYSA-N 2 1 297.487 2.522 10 0 CFAEMP CC(C)C[N@@H+](CCN(C)C)[C@H](C)CCC[NH2+]C(C)C ZINC000052503368 519716789 /nfs/dbraw/zinc/71/67/89/519716789.db2.gz WMOAPIVQEWPCMS-MRXNPFEDSA-N 2 1 271.493 2.673 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(F)c1 ZINC000052425256 519722800 /nfs/dbraw/zinc/72/28/00/519722800.db2.gz IVXORDOMBWBBOZ-CYBMUJFWSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1 ZINC000052425256 519722803 /nfs/dbraw/zinc/72/28/03/519722803.db2.gz IVXORDOMBWBBOZ-CYBMUJFWSA-N 2 1 252.377 2.892 10 0 CFAEMP CC(C)C[NH2+]CCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543373 519743406 /nfs/dbraw/zinc/74/34/06/519743406.db2.gz URNSRFUCDZWDJH-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417544 519745166 /nfs/dbraw/zinc/74/51/66/519745166.db2.gz MDTLGPDFWUFLCE-ZWKOTPCHSA-N 2 1 290.451 2.912 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000052382670 519746931 /nfs/dbraw/zinc/74/69/31/519746931.db2.gz GQMMKUIIRJHIEA-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000052382670 519746934 /nfs/dbraw/zinc/74/69/34/519746934.db2.gz GQMMKUIIRJHIEA-OAHLLOKOSA-N 2 1 276.424 2.653 10 0 CFAEMP CC(C)Oc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049554014 519784351 /nfs/dbraw/zinc/78/43/51/519784351.db2.gz FINLVHIFYGYVST-CQSZACIVSA-N 2 1 264.413 2.904 10 0 CFAEMP CC(C)[C@H](CN(C)C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049208451 519814382 /nfs/dbraw/zinc/81/43/82/519814382.db2.gz ZSJAMBOVDKMZDT-KTGAGVNESA-N 2 1 295.515 2.671 10 0 CFAEMP CC(C)[C@H](CN(C)C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000049208451 519814383 /nfs/dbraw/zinc/81/43/83/519814383.db2.gz ZSJAMBOVDKMZDT-KTGAGVNESA-N 2 1 295.515 2.671 10 0 CFAEMP CCC1CCC([N@@H+](C)CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052197837 519853174 /nfs/dbraw/zinc/85/31/74/519853174.db2.gz VJTSYJIGSHQTOE-UHFFFAOYSA-N 2 1 282.472 2.903 10 0 CFAEMP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@@H](C)[NH+](C)C ZINC000052854549 519869475 /nfs/dbraw/zinc/86/94/75/519869475.db2.gz KKTBLLUEPOPXFZ-LLVKDONJSA-N 2 1 260.385 2.692 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181378 519913156 /nfs/dbraw/zinc/91/31/56/519913156.db2.gz CCKCIRVQYNCCOM-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052510950 519913532 /nfs/dbraw/zinc/91/35/32/519913532.db2.gz RTVZABMWRKUDCE-CABCVRRESA-N 2 1 256.434 2.656 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)o2)O1 ZINC000052455901 519936487 /nfs/dbraw/zinc/93/64/87/519936487.db2.gz NDVIVAZXUOPQMO-ZBFHGGJFSA-N 2 1 280.412 2.567 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011841 519937130 /nfs/dbraw/zinc/93/71/30/519937130.db2.gz VUBNPSMKBIPINX-OAHLLOKOSA-N 2 1 264.388 2.690 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416597 519938517 /nfs/dbraw/zinc/93/85/17/519938517.db2.gz UGSXMYQAZNSUGG-CABCVRRESA-N 2 1 294.464 2.653 10 0 CFAEMP CCC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000052476663 519949865 /nfs/dbraw/zinc/94/98/65/519949865.db2.gz COXZDSLGDSIZTL-LSDHHAIUSA-N 2 1 276.424 2.795 10 0 CFAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000052419101 519995330 /nfs/dbraw/zinc/99/53/30/519995330.db2.gz CSOQUXDVMRZKCG-UHFFFAOYSA-N 2 1 270.376 2.947 10 0 CFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)CCc1ccccn1 ZINC000052423991 520005573 /nfs/dbraw/zinc/00/55/73/520005573.db2.gz LIYOMAFVTDJLKY-UHFFFAOYSA-N 2 1 283.419 2.866 10 0 CFAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)C(C)C)c1 ZINC000052419593 520007282 /nfs/dbraw/zinc/00/72/82/520007282.db2.gz WIJYZQQQHSNGJL-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CC[N@@H+](C)CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000052446087 520240708 /nfs/dbraw/zinc/24/07/08/520240708.db2.gz BOJOXPBDQQNWQF-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP CCCC[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052417840 520420839 /nfs/dbraw/zinc/42/08/39/520420839.db2.gz BOXVTBUJSNXROJ-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CCCC[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052417840 520420845 /nfs/dbraw/zinc/42/08/45/520420845.db2.gz BOXVTBUJSNXROJ-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CCCC[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052417965 520420864 /nfs/dbraw/zinc/42/08/64/520420864.db2.gz PDKFOUFEYOYMFS-UHFFFAOYSA-N 2 1 253.390 2.795 10 0 CFAEMP CCCC[N@@H+](CC)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180974 520475534 /nfs/dbraw/zinc/47/55/34/520475534.db2.gz OKVYRWURHSBQIA-UHFFFAOYSA-N 2 1 270.461 2.905 10 0 CFAEMP CCCC[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052418771 520477040 /nfs/dbraw/zinc/47/70/40/520477040.db2.gz JPCUQQSCBRTVKP-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@@H](C)COC ZINC000052504909 521290142 /nfs/dbraw/zinc/29/01/42/521290142.db2.gz XTVSVFCAUTYWIH-ZDUSSCGKSA-N 2 1 268.401 2.634 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]C)no1)C1CCCCC1 ZINC000052420071 521290959 /nfs/dbraw/zinc/29/09/59/521290959.db2.gz NLNFXNQIPBEMBV-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CC[N@@H+](Cc1ccccc1)CC1(C[NH2+]C)CCOCC1 ZINC000052181160 521371991 /nfs/dbraw/zinc/37/19/91/521371991.db2.gz NXVZBGATMQDCRB-UHFFFAOYSA-N 2 1 276.424 2.525 10 0 CFAEMP CC[N@H+](Cc1ccncc1)Cc1cc(C[NH3+])ccc1OC ZINC000050125204 521418194 /nfs/dbraw/zinc/41/81/94/521418194.db2.gz XKGIMELFORFFFF-UHFFFAOYSA-N 2 1 285.391 2.571 10 0 CFAEMP CC[N@@H+](Cc1ccncc1)Cc1cc(C[NH3+])ccc1OC ZINC000050125204 521418201 /nfs/dbraw/zinc/41/82/01/521418201.db2.gz XKGIMELFORFFFF-UHFFFAOYSA-N 2 1 285.391 2.571 10 0 CFAEMP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](CCOC)C1CC1 ZINC000051253348 521438846 /nfs/dbraw/zinc/43/88/46/521438846.db2.gz KZBUQHDCADEYKP-UHFFFAOYSA-N 2 1 268.445 2.656 10 0 CFAEMP CCC[N@@H+](C)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052444508 521484432 /nfs/dbraw/zinc/48/44/32/521484432.db2.gz JYRVYGTXSKJAHW-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@H](CC)C[NH2+]C(C)C ZINC000052573297 521561301 /nfs/dbraw/zinc/56/13/01/521561301.db2.gz GZVYQJANKZOTDO-OAHLLOKOSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC(CC)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631019 521604719 /nfs/dbraw/zinc/60/47/19/521604719.db2.gz LEYBAZOILDZIAC-JJXSEGSLSA-N 2 1 282.472 2.756 10 0 CFAEMP CCC[N@@H+](CC1(C[NH2+]CC)CCOCC1)C(C)C ZINC000052181406 521618734 /nfs/dbraw/zinc/61/87/34/521618734.db2.gz STALBRUEAVHDSZ-UHFFFAOYSA-N 2 1 256.434 2.513 10 0 CFAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346394 522058804 /nfs/dbraw/zinc/05/88/04/522058804.db2.gz ADVQEQXWYCVPGH-GJZGRUSLSA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]C[C@H](O[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000061702387 522077996 /nfs/dbraw/zinc/07/79/96/522077996.db2.gz BGHBRXWFFQSDBK-IRXDYDNUSA-N 2 1 276.424 2.522 10 0 CFAEMP C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373066 522116409 /nfs/dbraw/zinc/11/64/09/522116409.db2.gz ZBSSYLSTOWWEFD-HNNXBMFYSA-N 2 1 270.376 2.989 10 0 CFAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)c1ccc(F)cc1 ZINC000069397426 522363275 /nfs/dbraw/zinc/36/32/75/522363275.db2.gz SISARWKZTPTXGL-HNNXBMFYSA-N 2 1 287.382 2.911 10 0 CFAEMP CC[C@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052479876 523090668 /nfs/dbraw/zinc/09/06/68/523090668.db2.gz HYXCRVJDYCCUCX-ZDUSSCGKSA-N 2 1 250.386 2.929 10 0 CFAEMP C[N@@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000231669216 523180064 /nfs/dbraw/zinc/18/00/64/523180064.db2.gz QXGOPGVBHZVTDD-INIZCTEOSA-N 2 1 287.382 2.948 10 0 CFAEMP C[N@@H+](Cc1ccc(C[NH2+]C2CC2)cc1)[C@@H]1CCSC1 ZINC000052453554 523220442 /nfs/dbraw/zinc/22/04/42/523220442.db2.gz PACNATRHUMIKRU-MRXNPFEDSA-N 2 1 276.449 2.876 10 0 CFAEMP CC[C@H]1C[N@@H+](CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477309 523274095 /nfs/dbraw/zinc/27/40/95/523274095.db2.gz REKIYJGQKJXPRD-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1C ZINC000062079366 523665213 /nfs/dbraw/zinc/66/52/13/523665213.db2.gz VGSXUFKIIGPLNC-KBPBESRZSA-N 2 1 292.471 2.902 10 0 CFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CCc1ccsc1 ZINC000052205945 523798595 /nfs/dbraw/zinc/79/85/95/523798595.db2.gz HALVWOFUDWRWBM-AWEZNQCLSA-N 2 1 252.427 2.755 10 0 CFAEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454094 523869296 /nfs/dbraw/zinc/86/92/96/523869296.db2.gz OZVKRMKNQWUQFA-LBPRGKRZSA-N 2 1 253.390 2.651 10 0 CFAEMP CC[C@H](C)N1CC[NH+]([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074362 523959511 /nfs/dbraw/zinc/95/95/11/523959511.db2.gz IMGRHKNHNHVSOH-JKSUJKDBSA-N 2 1 269.477 2.569 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180804 524221090 /nfs/dbraw/zinc/22/10/90/524221090.db2.gz JPPKNDIZRGINTG-OAHLLOKOSA-N 2 1 282.472 2.903 10 0 CFAEMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151245806 524470746 /nfs/dbraw/zinc/47/07/46/524470746.db2.gz QUMSCAYGORMREO-WMZOPIPTSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@@H](CC[NH2+]C1CC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346250 524498678 /nfs/dbraw/zinc/49/86/78/524498678.db2.gz QFJPYSVNEYNBBR-LBPRGKRZSA-N 2 1 250.361 2.788 10 0 CFAEMP C[C@@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049184997 524594600 /nfs/dbraw/zinc/59/46/00/524594600.db2.gz FCUJZTIVFNZHFM-JTQLQIEISA-N 2 1 278.787 2.929 10 0 CFAEMP Cc1cc(C[N@H+]2CC[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052484767 524707222 /nfs/dbraw/zinc/70/72/22/524707222.db2.gz OGAXITMOKKKFST-LBPRGKRZSA-N 2 1 250.386 2.928 10 0 CFAEMP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)c1 ZINC000062670311 524738365 /nfs/dbraw/zinc/73/83/65/524738365.db2.gz KDHJALYTAJYVQN-QGZVFWFLSA-N 2 1 276.424 2.694 10 0 CFAEMP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)c1 ZINC000062670311 524738373 /nfs/dbraw/zinc/73/83/73/524738373.db2.gz KDHJALYTAJYVQN-QGZVFWFLSA-N 2 1 276.424 2.694 10 0 CFAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1C ZINC000151262744 524874649 /nfs/dbraw/zinc/87/46/49/524874649.db2.gz YEPZQZQNJPQSGF-IRXDYDNUSA-N 2 1 290.451 2.801 10 0 CFAEMP C[C@H](Nc1cc[nH+]cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000159891945 525675118 /nfs/dbraw/zinc/67/51/18/525675118.db2.gz SQEGAYZAPLZUGN-VHSXEESVSA-N 2 1 284.201 2.644 10 0 CFAEMP Cc1oc(C[N@H+]2CCc3ccccc3C2)cc1C[NH3+] ZINC000052419108 526773659 /nfs/dbraw/zinc/77/36/59/526773659.db2.gz IQQJOHDYUQNPAX-UHFFFAOYSA-N 2 1 256.349 2.605 10 0 CFAEMP Cc1occc1C[N@H+](C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052346580 526826262 /nfs/dbraw/zinc/82/62/62/526826262.db2.gz LXXOQRJIQPCUPB-LBPRGKRZSA-N 2 1 250.386 2.941 10 0 CFAEMP [NH3+]C1CCC(C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000050600871 527140648 /nfs/dbraw/zinc/14/06/48/527140648.db2.gz UTIXCSWWRCZVIM-WIHSUSGWSA-N 2 1 258.409 2.993 10 0 CFAEMP [NH3+]C[C@H]1CCCC[C@H]1Nc1cc[nH+]cc1Br ZINC000159911496 527233294 /nfs/dbraw/zinc/23/32/94/527233294.db2.gz JZGAOBLKYKNRPH-MWLCHTKSSA-N 2 1 284.201 2.774 10 0 CFAEMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1N)C(C)C ZINC000049330775 527424218 /nfs/dbraw/zinc/42/42/18/527424218.db2.gz JXXPEANNGWOEEZ-UHFFFAOYSA-N 2 1 272.396 2.684 10 0 CFAEMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1N)C(C)C ZINC000049330775 527424225 /nfs/dbraw/zinc/42/42/25/527424225.db2.gz JXXPEANNGWOEEZ-UHFFFAOYSA-N 2 1 272.396 2.684 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc4ccccc34)C[C@H]12 ZINC000261576892 619172251 /nfs/dbraw/zinc/17/22/51/619172251.db2.gz CJZDMZRBWMBEBS-BYCMXARLSA-N 2 1 256.349 2.602 10 0 CFAEMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261578440 619172905 /nfs/dbraw/zinc/17/29/05/619172905.db2.gz OZDCXKTYZXGMPI-QWRGUYRKSA-N 2 1 264.335 2.649 10 0 CFAEMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261998013 619361834 /nfs/dbraw/zinc/36/18/34/619361834.db2.gz TTYWOMHDXAOVJY-WMLDXEAASA-N 2 1 276.399 2.789 10 0 CFAEMP CC[C@H]1C[NH2+]C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096950605 185139444 /nfs/dbraw/zinc/13/94/44/185139444.db2.gz RVKLADLAEWNDNI-IRXDYDNUSA-N 2 1 258.409 2.898 10 0 CFAEMP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763507 347756348 /nfs/dbraw/zinc/75/63/48/347756348.db2.gz LCENUJXZYOHWDZ-QZTJIDSGSA-N 2 1 281.403 2.951 10 0 CFAEMP c1ccc2c(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763507 347756352 /nfs/dbraw/zinc/75/63/52/347756352.db2.gz LCENUJXZYOHWDZ-QZTJIDSGSA-N 2 1 281.403 2.951 10 0 CFAEMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817221 179344946 /nfs/dbraw/zinc/34/49/46/179344946.db2.gz KBLLZMCCJXEKGR-KBPBESRZSA-N 2 1 262.397 2.830 10 0 CFAEMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817221 179344948 /nfs/dbraw/zinc/34/49/48/179344948.db2.gz KBLLZMCCJXEKGR-KBPBESRZSA-N 2 1 262.397 2.830 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817211 179345331 /nfs/dbraw/zinc/34/53/31/179345331.db2.gz HPEJKIZAKWGUNP-SWLSCSKDSA-N 2 1 250.361 2.961 10 0 CFAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847613 179356038 /nfs/dbraw/zinc/35/60/38/179356038.db2.gz WGHWNZCVECGKMY-QGZVFWFLSA-N 2 1 293.455 2.613 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848382 179357252 /nfs/dbraw/zinc/35/72/52/179357252.db2.gz SLYRLOGOFYGWGK-KRWDZBQOSA-N 2 1 293.430 2.855 10 0 CFAEMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086843814 179353491 /nfs/dbraw/zinc/35/34/91/179353491.db2.gz YRQLLEOZMVAWRP-MRXNPFEDSA-N 2 1 278.444 2.503 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)CC1 ZINC000086844253 179354838 /nfs/dbraw/zinc/35/48/38/179354838.db2.gz MZPHOKODVCBWCZ-CQSZACIVSA-N 2 1 250.386 2.942 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)CC1 ZINC000086844253 179354840 /nfs/dbraw/zinc/35/48/40/179354840.db2.gz MZPHOKODVCBWCZ-CQSZACIVSA-N 2 1 250.386 2.942 10 0 CFAEMP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@H+](C(C)C)CC1 ZINC000086868544 179360306 /nfs/dbraw/zinc/36/03/06/179360306.db2.gz VIXUTIJMTLAAFX-KRWDZBQOSA-N 2 1 298.471 2.915 10 0 CFAEMP CCOC(=O)C[C@@]1([NH+]2CCCC2)CCC[N@H+](C(C)C)CC1 ZINC000086868521 179360439 /nfs/dbraw/zinc/36/04/39/179360439.db2.gz GSTILGKRIJYYQD-QGZVFWFLSA-N 2 1 296.455 2.669 10 0 CFAEMP C[N@@H+](CCC[NH2+]C[C@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866603 348407927 /nfs/dbraw/zinc/40/79/27/348407927.db2.gz MVXJMRCFCLRHNK-INIZCTEOSA-N 2 1 278.440 2.505 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573521 539672791 /nfs/dbraw/zinc/67/27/91/539672791.db2.gz ASRAULRCPRCDBD-GVDBMIGSSA-N 2 1 256.393 2.733 10 0 CFAEMP CCn1cccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000091022396 180088578 /nfs/dbraw/zinc/08/85/78/180088578.db2.gz FYTPZNJRUVBRMV-HNNXBMFYSA-N 2 1 263.429 2.862 10 0 CFAEMP CCn1cccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000091022396 180088581 /nfs/dbraw/zinc/08/85/81/180088581.db2.gz FYTPZNJRUVBRMV-HNNXBMFYSA-N 2 1 263.429 2.862 10 0 CFAEMP [NH3+]C[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1C(F)(F)F ZINC000630528791 355104144 /nfs/dbraw/zinc/10/41/44/355104144.db2.gz NAWGXDNVRQRVFH-DTWKUNHWSA-N 2 1 293.720 2.699 10 0 CFAEMP [NH3+][C@@H]1CCCCCN(c2cc[nH+]cc2Br)C1 ZINC000630549402 355108883 /nfs/dbraw/zinc/10/88/83/355108883.db2.gz NEXJHMLXANZGBS-SNVBAGLBSA-N 2 1 284.201 2.552 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840083 355602913 /nfs/dbraw/zinc/60/29/13/355602913.db2.gz PHSXZCAZGXLCTI-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840083 355602915 /nfs/dbraw/zinc/60/29/15/355602915.db2.gz PHSXZCAZGXLCTI-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839644 355602936 /nfs/dbraw/zinc/60/29/36/355602936.db2.gz IZFIBHXAXLGEJM-WOPDTQHZSA-N 2 1 252.789 2.928 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841349 355603766 /nfs/dbraw/zinc/60/37/66/355603766.db2.gz JOGNZWSXWXNJOI-JQWIXIFHSA-N 2 1 288.313 2.612 10 0 CFAEMP Cc1cc(C)cc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670096 540238566 /nfs/dbraw/zinc/23/85/66/540238566.db2.gz YRFGQIYDOBBWBP-MRXNPFEDSA-N 2 1 276.424 2.756 10 0 CFAEMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151273547 540372600 /nfs/dbraw/zinc/37/26/00/540372600.db2.gz IWLBJMQQPFAZNW-HOTGVXAUSA-N 2 1 268.445 2.558 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738184 541029305 /nfs/dbraw/zinc/02/93/05/541029305.db2.gz ZXCQKXJVYPNAMJ-KCPJHIHWSA-N 2 1 280.412 2.587 10 0 CFAEMP C[NH+](C)C[C@@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000026992037 372333548 /nfs/dbraw/zinc/33/35/48/372333548.db2.gz MCPTUNSSWLWTGC-SIGVMEELSA-N 2 1 262.441 2.839 10 0 CFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000092813082 375160730 /nfs/dbraw/zinc/16/07/30/375160730.db2.gz OEWBCIPULKUMTP-CYBMUJFWSA-N 2 1 288.420 2.781 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccn3C)C2)[nH+]1 ZINC000092813405 375160773 /nfs/dbraw/zinc/16/07/73/375160773.db2.gz CPCSBHVZHPLYJL-HNNXBMFYSA-N 2 1 284.407 2.663 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccn3C)C2)[nH+]1 ZINC000092813405 375160779 /nfs/dbraw/zinc/16/07/79/375160779.db2.gz CPCSBHVZHPLYJL-HNNXBMFYSA-N 2 1 284.407 2.663 10 0 CFAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC2CCCC2)CC1 ZINC000120485860 376624883 /nfs/dbraw/zinc/62/48/83/376624883.db2.gz XUVLNCMNPBCPOI-INIZCTEOSA-N 2 1 296.499 2.981 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126561901 377235409 /nfs/dbraw/zinc/23/54/09/377235409.db2.gz CRAAUAJUSFBZSA-LZWOXQAQSA-N 2 1 272.392 2.727 10 0 CFAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126561901 377235418 /nfs/dbraw/zinc/23/54/18/377235418.db2.gz CRAAUAJUSFBZSA-LZWOXQAQSA-N 2 1 272.392 2.727 10 0 CFAEMP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c(F)c1 ZINC000188409196 382408214 /nfs/dbraw/zinc/40/82/14/382408214.db2.gz WETWOYYXNHPVMN-CQSZACIVSA-N 2 1 277.318 2.826 10 0 CFAEMP Fc1ccc(CN2CCC[C@@H]2Cn2ccnc2)c(F)c1 ZINC000188409196 382408216 /nfs/dbraw/zinc/40/82/16/382408216.db2.gz WETWOYYXNHPVMN-CQSZACIVSA-N 2 1 277.318 2.826 10 0 CFAEMP C[C@H]1[C@H](NC2=[NH+]CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000306952034 382462418 /nfs/dbraw/zinc/46/24/18/382462418.db2.gz CRCVCAWRDWBLJY-GOEBONIOSA-N 2 1 271.408 2.821 10 0 CFAEMP C[C@H]1[C@H](NC2=[NH+]CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000306952034 382462422 /nfs/dbraw/zinc/46/24/22/382462422.db2.gz CRCVCAWRDWBLJY-GOEBONIOSA-N 2 1 271.408 2.821 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000249065693 383323646 /nfs/dbraw/zinc/32/36/46/383323646.db2.gz KDBWCSWWIDVSDR-DLBZAZTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000249065693 383323651 /nfs/dbraw/zinc/32/36/51/383323651.db2.gz KDBWCSWWIDVSDR-DLBZAZTESA-N 2 1 291.439 2.597 10 0 CFAEMP Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261701737 383545219 /nfs/dbraw/zinc/54/52/19/383545219.db2.gz JUNNYNNTHARTSG-ZBFHGGJFSA-N 2 1 287.432 2.626 10 0 CFAEMP CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261539826 383508444 /nfs/dbraw/zinc/50/84/44/383508444.db2.gz BPWDLODGXCRAHU-CYBMUJFWSA-N 2 1 250.411 2.712 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000261578442 383517675 /nfs/dbraw/zinc/51/76/75/383517675.db2.gz OZEGFFIORZEHDM-COPLHBTASA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000261578442 383517678 /nfs/dbraw/zinc/51/76/78/383517678.db2.gz OZEGFFIORZEHDM-COPLHBTASA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@@H]12 ZINC000261578234 383518623 /nfs/dbraw/zinc/51/86/23/383518623.db2.gz LPHDQCLFNCIYDQ-XXILOJSOSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@@H]12 ZINC000261578234 383518624 /nfs/dbraw/zinc/51/86/24/383518624.db2.gz LPHDQCLFNCIYDQ-XXILOJSOSA-N 2 1 256.802 2.571 10 0 CFAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261587793 383520689 /nfs/dbraw/zinc/52/06/89/383520689.db2.gz JPOKVYZOTPUMDG-LEWSCRJBSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261587793 383520694 /nfs/dbraw/zinc/52/06/94/383520694.db2.gz JPOKVYZOTPUMDG-LEWSCRJBSA-N 2 1 280.799 2.518 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@@H]12 ZINC000261601228 383527031 /nfs/dbraw/zinc/52/70/31/383527031.db2.gz BRNNIWNLEGEORI-RBSFLKMASA-N 2 1 283.375 2.511 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@@H]12 ZINC000261601228 383527035 /nfs/dbraw/zinc/52/70/35/383527035.db2.gz BRNNIWNLEGEORI-RBSFLKMASA-N 2 1 283.375 2.511 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261624175 383530549 /nfs/dbraw/zinc/53/05/49/383530549.db2.gz VAJWXVLSZRMPEZ-LCGIIJARSA-N 2 1 262.372 2.946 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)C[C@@H]12 ZINC000261690733 383543849 /nfs/dbraw/zinc/54/38/49/383543849.db2.gz NHZNZTDOLIJRLR-APHBMKBZSA-N 2 1 285.366 2.543 10 0 CFAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000262017745 383594470 /nfs/dbraw/zinc/59/44/70/383594470.db2.gz WHNNHSJZMHCHBH-KSZLIROESA-N 2 1 288.435 2.550 10 0 CFAEMP Cc1csc([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063137 383600821 /nfs/dbraw/zinc/60/08/21/383600821.db2.gz RINGHDUCTXKUTL-HIFRSBDPSA-N 2 1 279.453 2.631 10 0 CFAEMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261776370 383558519 /nfs/dbraw/zinc/55/85/19/383558519.db2.gz PEZIXARNVRFDPK-BHYGNILZSA-N 2 1 274.408 2.643 10 0 CFAEMP COc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261792006 383562003 /nfs/dbraw/zinc/56/20/03/383562003.db2.gz LBEGYBSRCLTENT-MSOLQXFVSA-N 2 1 296.414 2.870 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000261822339 383565584 /nfs/dbraw/zinc/56/55/84/383565584.db2.gz YBOFLVGITBNJCO-ZBFHGGJFSA-N 2 1 272.417 2.922 10 0 CFAEMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000262570033 383628099 /nfs/dbraw/zinc/62/80/99/383628099.db2.gz XIHWHMRSTXUQCF-XIRDDKMYSA-N 2 1 297.402 2.819 10 0 CFAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588740 393564951 /nfs/dbraw/zinc/56/49/51/393564951.db2.gz DBOJSESHJYLWEM-OLZOCXBDSA-N 2 1 260.372 2.886 10 0 CFAEMP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460848 393781691 /nfs/dbraw/zinc/78/16/91/393781691.db2.gz QSRQIXTUGASNCO-CYBMUJFWSA-N 2 1 284.350 2.862 10 0 CFAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262050288 393952792 /nfs/dbraw/zinc/95/27/92/393952792.db2.gz ZNTHOUOTADAWTR-INMHGKMJSA-N 2 1 273.424 2.682 10 0 CFAEMP C[C@@H]1CN(c2ccc([NH+]3CCCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000071613597 134486930 /nfs/dbraw/zinc/48/69/30/134486930.db2.gz CLFOMTMWTPQKAG-HUUCEWRRSA-N 2 1 273.424 2.864 10 0 CFAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCC2)cc1 ZINC000399614292 397562354 /nfs/dbraw/zinc/56/23/54/397562354.db2.gz DIDLNYDIQSMJOI-FKEKPDDDSA-N 2 1 256.393 2.649 10 0 CFAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCC2)cc1 ZINC000399614292 397562358 /nfs/dbraw/zinc/56/23/58/397562358.db2.gz DIDLNYDIQSMJOI-FKEKPDDDSA-N 2 1 256.393 2.649 10 0 CFAEMP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000344345459 162017886 /nfs/dbraw/zinc/01/78/86/162017886.db2.gz GOIWGSWEPSCEIT-DJYNDVHFSA-N 2 1 285.366 2.888 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000400420788 287050301 /nfs/dbraw/zinc/05/03/01/287050301.db2.gz WUVVIUMKWJTHOX-QJPTWQEYSA-N 2 1 252.789 2.989 10 0 CFAEMP C[N@@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022161387 171364271 /nfs/dbraw/zinc/36/42/71/171364271.db2.gz XVESNTCVYWKBBX-UHFFFAOYSA-N 2 1 289.423 2.738 10 0 CFAEMP C[N@@H+](CCC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022165972 171365681 /nfs/dbraw/zinc/36/56/81/171365681.db2.gz JDIXPGMXIJFEGN-UHFFFAOYSA-N 2 1 289.423 2.738 10 0 CFAEMP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451701 172205234 /nfs/dbraw/zinc/20/52/34/172205234.db2.gz IRNQMLNMTFZYHJ-DZGCQCFKSA-N 2 1 252.402 2.777 10 0 CFAEMP CC(C)[C@@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451705 172205309 /nfs/dbraw/zinc/20/53/09/172205309.db2.gz IRNQMLNMTFZYHJ-UKRRQHHQSA-N 2 1 252.402 2.777 10 0 CFAEMP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210075 173031830 /nfs/dbraw/zinc/03/18/30/173031830.db2.gz CGTFUMMFLJYLMM-OLZOCXBDSA-N 2 1 252.427 2.611 10 0 CFAEMP CC[NH+](CC)CCC[NH2+][C@H](C)c1scnc1C ZINC000037211042 173032395 /nfs/dbraw/zinc/03/23/95/173032395.db2.gz DKYHROLVFJOSTP-LLVKDONJSA-N 2 1 255.431 2.834 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220146 173038285 /nfs/dbraw/zinc/03/82/85/173038285.db2.gz PNOGSYXPZQLUPS-SQWLQELKSA-N 2 1 261.413 2.853 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221636 173042362 /nfs/dbraw/zinc/04/23/62/173042362.db2.gz PYKZCHZMVXLJJS-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028856 174018181 /nfs/dbraw/zinc/01/81/81/174018181.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 2 1 295.515 2.961 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028856 174018184 /nfs/dbraw/zinc/01/81/84/174018184.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 2 1 295.515 2.961 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)C1 ZINC000038028856 174018186 /nfs/dbraw/zinc/01/81/86/174018186.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 2 1 295.515 2.961 10 0 CFAEMP C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@@H]1CCC[N@H+]1C ZINC000040240635 174213631 /nfs/dbraw/zinc/21/36/31/174213631.db2.gz WIJIGWCFQGCJIY-YPMHNXCESA-N 2 1 266.360 2.709 10 0 CFAEMP CCCCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000040506729 174302122 /nfs/dbraw/zinc/30/21/22/174302122.db2.gz UZJCJUWZDWTZHA-LSDHHAIUSA-N 2 1 256.434 2.513 10 0 CFAEMP Cc1cc(NCCc2[nH+]ccn2C)c2ccccc2[nH+]1 ZINC000040639618 174363856 /nfs/dbraw/zinc/36/38/56/174363856.db2.gz RNXLSNKSXWSATO-UHFFFAOYSA-N 2 1 266.348 2.931 10 0 CFAEMP CC[N@@H+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747463 174392681 /nfs/dbraw/zinc/39/26/81/174392681.db2.gz ZCGFOTSLRVSMNY-XYPWUTKMSA-N 2 1 262.372 2.931 10 0 CFAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](Cc1cccs1)C1CC1 ZINC000042516059 174767128 /nfs/dbraw/zinc/76/71/28/174767128.db2.gz FMQPEDQDYJIJFX-SNVBAGLBSA-N 2 1 251.399 2.817 10 0 CFAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254578 174995064 /nfs/dbraw/zinc/99/50/64/174995064.db2.gz UBMUEVOPUFSYQX-MRVPVSSYSA-N 2 1 255.774 2.709 10 0 CFAEMP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326016 175007628 /nfs/dbraw/zinc/00/76/28/175007628.db2.gz VWPQNVBQLHEHFW-CQSZACIVSA-N 2 1 259.397 2.759 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1cccnc1)n1cc[nH+]c1C(C)C ZINC000043348864 175019423 /nfs/dbraw/zinc/01/94/23/175019423.db2.gz CGJQHGYTOAPQFL-UONOGXRCSA-N 2 1 258.369 2.728 10 0 CFAEMP COc1cccc(C[N@@H+](CCC[NH3+])CC(C)C)c1 ZINC000043417532 175038160 /nfs/dbraw/zinc/03/81/60/175038160.db2.gz MBUYXKLBDLCUIP-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP CCCC[C@@H](CC)CN1CC[NH+](CCCC[NH3+])CC1 ZINC000043454523 175049877 /nfs/dbraw/zinc/04/98/77/175049877.db2.gz FFEGKQKARHNAHY-MRXNPFEDSA-N 2 1 269.477 2.559 10 0 CFAEMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043498925 175058145 /nfs/dbraw/zinc/05/81/45/175058145.db2.gz CISCTPQKOWPBKK-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043498925 175058146 /nfs/dbraw/zinc/05/81/46/175058146.db2.gz CISCTPQKOWPBKK-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP CCOC(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000043618120 175080551 /nfs/dbraw/zinc/08/05/51/175080551.db2.gz GAEOQAKCTHLZKL-AWEZNQCLSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCc1ccc([C@H](CN2CCC[N@@H+](C)CC2)[NH2+]C)cc1 ZINC000043818185 175112827 /nfs/dbraw/zinc/11/28/27/175112827.db2.gz REJFFFDQDUOQET-SFHVURJKSA-N 2 1 289.467 2.537 10 0 CFAEMP CCCC[NH+](CCCC)[C@H]1COCC[C@@H]1[NH2+]CC ZINC000043819554 175113931 /nfs/dbraw/zinc/11/39/31/175113931.db2.gz LGTXLZOPWQUNNR-GJZGRUSLSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)C2CC2)c1 ZINC000043823428 175114510 /nfs/dbraw/zinc/11/45/10/175114510.db2.gz AWJNRLQXPOWEOM-LBPRGKRZSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888383 175117377 /nfs/dbraw/zinc/11/73/77/175117377.db2.gz CLOHWVKSNVUOJZ-JKSUJKDBSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888377 175117421 /nfs/dbraw/zinc/11/74/21/175117421.db2.gz CLOHWVKSNVUOJZ-HOTGVXAUSA-N 2 1 298.471 2.628 10 0 CFAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043901859 175121833 /nfs/dbraw/zinc/12/18/33/175121833.db2.gz IKAJHVUJMFLXEB-SJORKVTESA-N 2 1 275.440 2.867 10 0 CFAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901859 175121834 /nfs/dbraw/zinc/12/18/34/175121834.db2.gz IKAJHVUJMFLXEB-SJORKVTESA-N 2 1 275.440 2.867 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904903 175122461 /nfs/dbraw/zinc/12/24/61/175122461.db2.gz VCSJXSGLFIJAGM-HRCADAONSA-N 2 1 296.455 2.525 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000043902845 175122718 /nfs/dbraw/zinc/12/27/18/175122718.db2.gz PTFZHXAMSFHXBE-QWHCGFSZSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043915104 175124323 /nfs/dbraw/zinc/12/43/23/175124323.db2.gz IKZSJFFVLXNIMW-HOTGVXAUSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043915104 175124324 /nfs/dbraw/zinc/12/43/24/175124324.db2.gz IKZSJFFVLXNIMW-HOTGVXAUSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966933 175128163 /nfs/dbraw/zinc/12/81/63/175128163.db2.gz HKJTXIRPWWSDIX-ARFHVFGLSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966933 175128164 /nfs/dbraw/zinc/12/81/64/175128164.db2.gz HKJTXIRPWWSDIX-ARFHVFGLSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970445 175131360 /nfs/dbraw/zinc/13/13/60/175131360.db2.gz PDHALOTXUARYMX-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977867 175133257 /nfs/dbraw/zinc/13/32/57/175133257.db2.gz DUDWJTISWMKLBE-OFQRWUPVSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977867 175133259 /nfs/dbraw/zinc/13/32/59/175133259.db2.gz DUDWJTISWMKLBE-OFQRWUPVSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC(CC)[N@@H+](CCOC)[C@H]1CCCC[C@@H]1[NH2+]C ZINC000043977023 175133303 /nfs/dbraw/zinc/13/33/03/175133303.db2.gz YMCLIGFRARCTDS-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977833 175133312 /nfs/dbraw/zinc/13/33/12/175133312.db2.gz DHJHHMRYFIUIPU-IMJJTQAJSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1CC ZINC000044036185 175139909 /nfs/dbraw/zinc/13/99/09/175139909.db2.gz YIPWCZZIRMCRKJ-XJKSGUPXSA-N 2 1 271.364 2.730 10 0 CFAEMP CCc1[nH+]ccn1[C@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000044037384 175140054 /nfs/dbraw/zinc/14/00/54/175140054.db2.gz MMWSXFNSPPJWQY-WBMJQRKESA-N 2 1 273.380 2.976 10 0 CFAEMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532876 175196216 /nfs/dbraw/zinc/19/62/16/175196216.db2.gz OMGFDVRIPRUVOR-HOCLYGCPSA-N 2 1 275.440 2.999 10 0 CFAEMP C[N@@H+]1CCCC[C@H]1CNc1ccc(N)c2c[nH+]ccc12 ZINC000044563617 175207014 /nfs/dbraw/zinc/20/70/14/175207014.db2.gz HAMKYQFMCCYXPH-LBPRGKRZSA-N 2 1 270.380 2.713 10 0 CFAEMP C[N@H+]1CCCC[C@H]1CNc1ccc(N)c2c[nH+]ccc12 ZINC000044563617 175207016 /nfs/dbraw/zinc/20/70/16/175207016.db2.gz HAMKYQFMCCYXPH-LBPRGKRZSA-N 2 1 270.380 2.713 10 0 CFAEMP CC(=O)Nc1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)cc1 ZINC000044573178 175210458 /nfs/dbraw/zinc/21/04/58/175210458.db2.gz IPOWDUARWKQBQA-UHFFFAOYSA-N 2 1 291.439 2.855 10 0 CFAEMP C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000044674963 175226988 /nfs/dbraw/zinc/22/69/88/175226988.db2.gz BYKHQDVLMGTJNZ-MWQQHZPXSA-N 2 1 258.409 2.862 10 0 CFAEMP CCOC[C@@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000044691943 175234103 /nfs/dbraw/zinc/23/41/03/175234103.db2.gz WFRXRGLBUVEBIM-JZWPEALZSA-N 2 1 268.445 2.510 10 0 CFAEMP CCOC[C@@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000044691943 175234104 /nfs/dbraw/zinc/23/41/04/175234104.db2.gz WFRXRGLBUVEBIM-JZWPEALZSA-N 2 1 268.445 2.510 10 0 CFAEMP Oc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000044747333 175242974 /nfs/dbraw/zinc/24/29/74/175242974.db2.gz FBPSHUPMWPDWEY-FZKQIMNGSA-N 2 1 286.419 2.844 10 0 CFAEMP C[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC(C)(C)C ZINC000045065158 175299653 /nfs/dbraw/zinc/29/96/53/175299653.db2.gz QMKUESAYYWAJBP-UHFFFAOYSA-N 2 1 260.385 2.666 10 0 CFAEMP C[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC(C)(C)C ZINC000045065158 175299655 /nfs/dbraw/zinc/29/96/55/175299655.db2.gz QMKUESAYYWAJBP-UHFFFAOYSA-N 2 1 260.385 2.666 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067068 175300357 /nfs/dbraw/zinc/30/03/57/175300357.db2.gz ZUCAUGAONHWLKF-ZACQAIPSSA-N 2 1 290.455 2.853 10 0 CFAEMP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067068 175300358 /nfs/dbraw/zinc/30/03/58/175300358.db2.gz ZUCAUGAONHWLKF-ZACQAIPSSA-N 2 1 290.455 2.853 10 0 CFAEMP CC[NH2+]Cc1sc2ccccc2c1C[NH+]1CCOCC1 ZINC000045206369 175328455 /nfs/dbraw/zinc/32/84/55/175328455.db2.gz XFPWTFWXQBMDNC-UHFFFAOYSA-N 2 1 290.432 2.843 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379623 175367987 /nfs/dbraw/zinc/36/79/87/175367987.db2.gz DCVVOKJZZSMWIK-UXLLHSPISA-N 2 1 297.487 2.663 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C ZINC000045379136 175368751 /nfs/dbraw/zinc/36/87/51/175368751.db2.gz PVSLEWKZRDQEKS-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C ZINC000045379136 175368752 /nfs/dbraw/zinc/36/87/52/175368752.db2.gz PVSLEWKZRDQEKS-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379155 175368768 /nfs/dbraw/zinc/36/87/68/175368768.db2.gz IZIWEJUZFDNTDP-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379155 175368770 /nfs/dbraw/zinc/36/87/70/175368770.db2.gz IZIWEJUZFDNTDP-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045381831 175370510 /nfs/dbraw/zinc/37/05/10/175370510.db2.gz UORQOZMJDBZNLV-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045381831 175370511 /nfs/dbraw/zinc/37/05/11/175370511.db2.gz UORQOZMJDBZNLV-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383707 175371574 /nfs/dbraw/zinc/37/15/74/175371574.db2.gz RCXGDXVBKJGFIU-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383707 175371575 /nfs/dbraw/zinc/37/15/75/175371575.db2.gz RCXGDXVBKJGFIU-MRXNPFEDSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CCC)C(C)C)C(N)=O ZINC000045385887 175372457 /nfs/dbraw/zinc/37/24/57/175372457.db2.gz MIMZOBJXEXYSBX-INIZCTEOSA-N 2 1 285.476 2.521 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045385494 175372473 /nfs/dbraw/zinc/37/24/73/175372473.db2.gz DVEGGUYSAZSGEU-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045385494 175372475 /nfs/dbraw/zinc/37/24/75/175372475.db2.gz DVEGGUYSAZSGEU-HOCLYGCPSA-N 2 1 286.460 2.818 10 0 CFAEMP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045387979 175374150 /nfs/dbraw/zinc/37/41/50/175374150.db2.gz TWLSKAKYCZOZCS-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045387979 175374151 /nfs/dbraw/zinc/37/41/51/175374151.db2.gz TWLSKAKYCZOZCS-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045391492 175374488 /nfs/dbraw/zinc/37/44/88/175374488.db2.gz TZTGWLNZFLPSKA-MRXNPFEDSA-N 2 1 285.476 2.519 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](CC)C1CCCC1 ZINC000045390459 175374746 /nfs/dbraw/zinc/37/47/46/175374746.db2.gz JPOVATIZUSYUEY-MRXNPFEDSA-N 2 1 284.444 2.702 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390621 175375089 /nfs/dbraw/zinc/37/50/89/175375089.db2.gz JOYRRQGTBXBSPC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390621 175375090 /nfs/dbraw/zinc/37/50/90/175375090.db2.gz JOYRRQGTBXBSPC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392139 175375795 /nfs/dbraw/zinc/37/57/95/175375795.db2.gz REDYLXPIUCPOLR-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392139 175375797 /nfs/dbraw/zinc/37/57/97/175375797.db2.gz REDYLXPIUCPOLR-HOCLYGCPSA-N 2 1 286.460 2.674 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420998 175379810 /nfs/dbraw/zinc/37/98/10/175379810.db2.gz HNFSESPSWXNDDN-WMLDXEAASA-N 2 1 299.503 2.767 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421026 175380167 /nfs/dbraw/zinc/38/01/67/175380167.db2.gz LTABGUNLLXYTNJ-XJKSGUPXSA-N 2 1 286.460 2.674 10 0 CFAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421026 175380168 /nfs/dbraw/zinc/38/01/68/175380168.db2.gz LTABGUNLLXYTNJ-XJKSGUPXSA-N 2 1 286.460 2.674 10 0 CFAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190412 176066105 /nfs/dbraw/zinc/06/61/05/176066105.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190412 176066106 /nfs/dbraw/zinc/06/61/06/176066106.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190412 176066108 /nfs/dbraw/zinc/06/61/08/176066108.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190412 176066109 /nfs/dbraw/zinc/06/61/09/176066109.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 2 1 297.240 2.833 10 0 CFAEMP Clc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1Cl ZINC000398343868 270321926 /nfs/dbraw/zinc/32/19/26/270321926.db2.gz FPYMZCIAMBCIHD-VIFPVBQESA-N 2 1 259.180 2.693 10 0 CFAEMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[NH2+]1 ZINC000052783353 274366008 /nfs/dbraw/zinc/36/60/08/274366008.db2.gz CTJTUYHCTCIMPD-SNVBAGLBSA-N 2 1 261.756 2.686 10 0 CFAEMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000335012983 276358842 /nfs/dbraw/zinc/35/88/42/276358842.db2.gz YFBGVVLEQWNQBL-WMZOPIPTSA-N 2 1 293.499 2.667 10 0 CFAEMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1[NH3+] ZINC000261551189 278808008 /nfs/dbraw/zinc/80/80/08/278808008.db2.gz SZULWFHHNUGVBB-BXKDBHETSA-N 2 1 261.756 2.672 10 0 CFAEMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000312646875 290016382 /nfs/dbraw/zinc/01/63/82/290016382.db2.gz FAQYRDIHJYOESZ-XIRDDKMYSA-N 2 1 274.408 2.645 10 0 CFAEMP C[C@H](c1cccc(F)c1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311588526 290250633 /nfs/dbraw/zinc/25/06/33/290250633.db2.gz FXUVIHOJPMLNFB-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[C@H](c1cccc(F)c1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311588526 290250635 /nfs/dbraw/zinc/25/06/35/290250635.db2.gz FXUVIHOJPMLNFB-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP Cc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037256209 302060366 /nfs/dbraw/zinc/06/03/66/302060366.db2.gz OBWYZSWRUXTJHI-INIZCTEOSA-N 2 1 274.408 2.893 10 0 CFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CSC ZINC000069444470 519908311 /nfs/dbraw/zinc/90/83/11/519908311.db2.gz RMKJNKRUQRQMMU-FFHGMXDLSA-N 2 1 270.486 2.981 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)CC(C)C ZINC000052508663 519912250 /nfs/dbraw/zinc/91/22/50/519912250.db2.gz JUBVNVBYVOCYDN-UHFFFAOYSA-N 2 1 258.450 2.761 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)CC(C)C)on1 ZINC000052449668 519944470 /nfs/dbraw/zinc/94/44/70/519944470.db2.gz FLVOJZRIUPZAEB-UHFFFAOYSA-N 2 1 253.390 2.652 10 0 CFAEMP CCCC[N@@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180975 520474432 /nfs/dbraw/zinc/47/44/32/520474432.db2.gz CDFSEJXSCONRGR-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CCCC[C@@](CC)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000069380339 521121300 /nfs/dbraw/zinc/12/13/00/521121300.db2.gz KJGLVKVNJFMKGC-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CCC(C)(C)[N@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000069427643 521303354 /nfs/dbraw/zinc/30/33/54/521303354.db2.gz SAAURYXZCSAYCN-UHFFFAOYSA-N 2 1 260.385 2.808 10 0 CFAEMP CCC(C)(C)[N@@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000069427643 521303361 /nfs/dbraw/zinc/30/33/61/521303361.db2.gz SAAURYXZCSAYCN-UHFFFAOYSA-N 2 1 260.385 2.808 10 0 CFAEMP CCC(C)(C)[N@@H+](C)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000069443306 521300226 /nfs/dbraw/zinc/30/02/26/521300226.db2.gz QJZSXVRUMCUYSI-QGZVFWFLSA-N 2 1 298.471 2.961 10 0 CFAEMP CC[C@@H](C)[N@H+](CCOC)[C@@H](CC)C[NH2+]CC(C)C ZINC000052547229 522095341 /nfs/dbraw/zinc/09/53/41/522095341.db2.gz TVACHMVQCOMJSA-CABCVRRESA-N 2 1 258.450 2.758 10 0 CFAEMP CC[C@@H](C)[N@@H+](CCOC)[C@@H](CC)C[NH2+]CC(C)C ZINC000052547229 522095352 /nfs/dbraw/zinc/09/53/52/522095352.db2.gz TVACHMVQCOMJSA-CABCVRRESA-N 2 1 258.450 2.758 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000052546478 522152929 /nfs/dbraw/zinc/15/29/29/522152929.db2.gz AJWYWNFHXNWSLE-WCQYABFASA-N 2 1 267.442 2.873 10 0 CFAEMP CC(C)(C)CC[N@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000049254422 518647302 /nfs/dbraw/zinc/64/73/02/518647302.db2.gz NFIVCJWGHJGFHI-UHFFFAOYSA-N 2 1 269.477 2.559 10 0 CFAEMP CC(C)(C)CCN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000049254422 518647306 /nfs/dbraw/zinc/64/73/06/518647306.db2.gz NFIVCJWGHJGFHI-UHFFFAOYSA-N 2 1 269.477 2.559 10 0 CFAEMP CC(C)(C)CCN1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000049254422 518647309 /nfs/dbraw/zinc/64/73/09/518647309.db2.gz NFIVCJWGHJGFHI-UHFFFAOYSA-N 2 1 269.477 2.559 10 0 CFAEMP CC(C)C[C@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197680 519309755 /nfs/dbraw/zinc/30/97/55/519309755.db2.gz WDSHZUOAYCYPMP-HNNXBMFYSA-N 2 1 282.472 2.902 10 0 CFAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423930 519720999 /nfs/dbraw/zinc/72/09/99/519720999.db2.gz CQYRPWFQWLWGCY-HNNXBMFYSA-N 2 1 263.429 2.723 10 0 CFAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419175 519725871 /nfs/dbraw/zinc/72/58/71/519725871.db2.gz YXWBVOHVKNDUMR-MSOLQXFVSA-N 2 1 288.435 2.590 10 0 CFAEMP CC(C)[NH2+]Cc1ccccc1OCC[N@@H+](C)C(C)C ZINC000052419588 519727992 /nfs/dbraw/zinc/72/79/92/519727992.db2.gz INCPQJUDDZAYBR-UHFFFAOYSA-N 2 1 264.413 2.904 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000052375502 519729107 /nfs/dbraw/zinc/72/91/07/519729107.db2.gz IQLOQVCFCRRTSY-NSHDSACASA-N 2 1 253.415 2.625 10 0 CFAEMP CC(C)[NH2+]Cc1nc(C[N@H+]2CCC[C@@H]2C)cs1 ZINC000052375502 519729109 /nfs/dbraw/zinc/72/91/09/519729109.db2.gz IQLOQVCFCRRTSY-NSHDSACASA-N 2 1 253.415 2.625 10 0 CFAEMP CC(C)C[NH2+]CCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380753 519743176 /nfs/dbraw/zinc/74/31/76/519743176.db2.gz ZMSPNYITAFDJTA-GASCZTMLSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052424018 519743971 /nfs/dbraw/zinc/74/39/71/519743971.db2.gz AUJRVZCNLDQMMY-OAHLLOKOSA-N 2 1 263.429 2.580 10 0 CFAEMP CC(C)C[NH2+]C[C@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424446 519745967 /nfs/dbraw/zinc/74/59/67/519745967.db2.gz KDCZWQVYDSZYLZ-GOSISDBHSA-N 2 1 289.467 2.611 10 0 CFAEMP CC(C)[C@@H](C[NH+](C)C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049194750 519794135 /nfs/dbraw/zinc/79/41/35/519794135.db2.gz ZGNROUKVCSUSCD-MRXNPFEDSA-N 2 1 272.396 2.815 10 0 CFAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052452982 519815798 /nfs/dbraw/zinc/81/57/98/519815798.db2.gz UWJJWHAVVCBSSZ-OLZOCXBDSA-N 2 1 258.475 2.836 10 0 CFAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052452982 519815799 /nfs/dbraw/zinc/81/57/99/519815799.db2.gz UWJJWHAVVCBSSZ-OLZOCXBDSA-N 2 1 258.475 2.836 10 0 CFAEMP CCCC1CC[NH+](CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000050893176 519900903 /nfs/dbraw/zinc/90/09/03/519900903.db2.gz GHRFERYLBCOHBV-UHFFFAOYSA-N 2 1 289.423 2.596 10 0 CFAEMP CCC[NH2+]C1CC[NH+](CCc2ccsc2)CC1 ZINC000049183874 519906925 /nfs/dbraw/zinc/90/69/25/519906925.db2.gz SECMWKIXNFQKKM-UHFFFAOYSA-N 2 1 252.427 2.755 10 0 CFAEMP CCC[NH2+]CCCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503378 519912365 /nfs/dbraw/zinc/91/23/65/519912365.db2.gz BNPOZQDMQMQVSM-UHFFFAOYSA-N 2 1 271.493 2.676 10 0 CFAEMP CC[NH2+]CC1(C[N@H+](CC)Cc2ccco2)CCOCC1 ZINC000052197624 519913271 /nfs/dbraw/zinc/91/32/71/519913271.db2.gz MGKXSSKSYYHYHT-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)Cc2ccco2)CCOCC1 ZINC000052197624 519913272 /nfs/dbraw/zinc/91/32/72/519913272.db2.gz MGKXSSKSYYHYHT-UHFFFAOYSA-N 2 1 280.412 2.508 10 0 CFAEMP CCC[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418956 519919208 /nfs/dbraw/zinc/91/92/08/519919208.db2.gz GRFVOMMIDHYKOP-QGZVFWFLSA-N 2 1 289.467 2.895 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416594 519926827 /nfs/dbraw/zinc/92/68/27/519926827.db2.gz UGSXMYQAZNSUGG-LSDHHAIUSA-N 2 1 294.464 2.653 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@@H](C)C1 ZINC000052484463 519955969 /nfs/dbraw/zinc/95/59/69/519955969.db2.gz GSERUFHNOZOPOU-OAHLLOKOSA-N 2 1 276.424 2.907 10 0 CFAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@H](C)C1 ZINC000052484462 519956690 /nfs/dbraw/zinc/95/66/90/519956690.db2.gz GSERUFHNOZOPOU-HNNXBMFYSA-N 2 1 276.424 2.907 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503311 519959390 /nfs/dbraw/zinc/95/93/90/519959390.db2.gz OJRSBGSATQNJIA-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503311 519959401 /nfs/dbraw/zinc/95/94/01/519959401.db2.gz OJRSBGSATQNJIA-UHFFFAOYSA-N 2 1 295.471 2.799 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@H+](CC)C(C)C)cs1 ZINC000052446458 519965946 /nfs/dbraw/zinc/96/59/46/519965946.db2.gz BLSYJLWFFSRLSK-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CCC[NH2+]Cc1nc(C[N@@H+](CC)C(C)C)cs1 ZINC000052446458 519965957 /nfs/dbraw/zinc/96/59/57/519965957.db2.gz BLSYJLWFFSRLSK-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000052420613 519995268 /nfs/dbraw/zinc/99/52/68/519995268.db2.gz LGRMGRCOLKTFNO-BETUJISGSA-N 2 1 250.386 2.867 10 0 CFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453646 520006544 /nfs/dbraw/zinc/00/65/44/520006544.db2.gz JIAFABPNPMJMNE-HNNXBMFYSA-N 2 1 264.438 2.733 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+](C)C(C)(C)CC)cs1 ZINC000069448419 520022025 /nfs/dbraw/zinc/02/20/25/520022025.db2.gz ISWFAVDTJLCRGX-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+](C)C(C)(C)CC)cs1 ZINC000069448419 520022033 /nfs/dbraw/zinc/02/20/33/520022033.db2.gz ISWFAVDTJLCRGX-UHFFFAOYSA-N 2 1 255.431 2.873 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239664 520105886 /nfs/dbraw/zinc/10/58/86/520105886.db2.gz GKOOQHFOUQMKRV-QGZVFWFLSA-N 2 1 298.471 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OCC ZINC000069239664 520105895 /nfs/dbraw/zinc/10/58/95/520105895.db2.gz GKOOQHFOUQMKRV-QGZVFWFLSA-N 2 1 298.471 2.820 10 0 CFAEMP CCCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052417966 520421695 /nfs/dbraw/zinc/42/16/95/520421695.db2.gz HTHQEYYHEFRLQZ-UHFFFAOYSA-N 2 1 253.390 2.652 10 0 CFAEMP CC[N@@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C(C)C ZINC000052181322 520937437 /nfs/dbraw/zinc/93/74/37/520937437.db2.gz MPCOBVXWSHSYEP-UHFFFAOYSA-N 2 1 270.461 2.902 10 0 CFAEMP CC[N@@H+](CC1CC1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000069262798 520958478 /nfs/dbraw/zinc/95/84/78/520958478.db2.gz CKMOOBMKDILUBZ-UHFFFAOYSA-N 2 1 268.445 2.513 10 0 CFAEMP CCCC[C@@](CC)(C[NH3+])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000069380082 521120422 /nfs/dbraw/zinc/12/04/22/521120422.db2.gz MHDPOFLJMBWJBY-GJZGRUSLSA-N 2 1 256.434 2.785 10 0 CFAEMP CCCC[C@@](CC)(CN)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000069381122 521121908 /nfs/dbraw/zinc/12/19/08/521121908.db2.gz GPYHTFUXCBSSIJ-INIZCTEOSA-N 2 1 269.477 2.558 10 0 CFAEMP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)no1)C(C)C ZINC000052446790 521289267 /nfs/dbraw/zinc/28/92/67/521289267.db2.gz VRCNKRDYUUIHQX-UHFFFAOYSA-N 2 1 253.390 2.651 10 0 CFAEMP CCC[N@@H+](CC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181213 521605904 /nfs/dbraw/zinc/60/59/04/521605904.db2.gz QUIVFQFQFVDZPB-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CCC[N@H+](Cc1cnn(CC)c1)C(CC)(CC)C[NH3+] ZINC000050539295 521691704 /nfs/dbraw/zinc/69/17/04/521691704.db2.gz VNNQOUCSFPAOCT-UHFFFAOYSA-N 2 1 266.433 2.633 10 0 CFAEMP CCC[N@@H+](Cc1cnn(CC)c1)C(CC)(CC)C[NH3+] ZINC000050539295 521691706 /nfs/dbraw/zinc/69/17/06/521691706.db2.gz VNNQOUCSFPAOCT-UHFFFAOYSA-N 2 1 266.433 2.633 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)C2CCCCCC2)CCOCC1 ZINC000052181988 521966681 /nfs/dbraw/zinc/96/66/81/521966681.db2.gz QTBHAHKYZMQAEF-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508250 522093520 /nfs/dbraw/zinc/09/35/20/522093520.db2.gz UKCDSKRBHKCXTL-CABCVRRESA-N 2 1 282.815 2.539 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380715 522102807 /nfs/dbraw/zinc/10/28/07/522102807.db2.gz YHSKBPDSOSDVBN-STQMWFEESA-N 2 1 288.391 2.761 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000052420703 522121991 /nfs/dbraw/zinc/12/19/91/522121991.db2.gz QKONHUAMYCWXQZ-GASCZTMLSA-N 2 1 276.424 2.763 10 0 CFAEMP CC[C@H](CC[NH3+])N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000049254437 522127481 /nfs/dbraw/zinc/12/74/81/522127481.db2.gz KPGDUBZVPKDYLD-OAHLLOKOSA-N 2 1 269.477 2.558 10 0 CFAEMP CC[C@H](C[NH2+]C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443878 522192654 /nfs/dbraw/zinc/19/26/54/522192654.db2.gz AZICDVWGABEMMF-QGZVFWFLSA-N 2 1 260.425 2.939 10 0 CFAEMP CC[C@@H](CC[NH3+])[NH+]1CCN(Cc2cc(C)ccc2C)CC1 ZINC000049256677 522497799 /nfs/dbraw/zinc/49/77/99/522497799.db2.gz DRZJZCYXAFQYIG-SFHVURJKSA-N 2 1 289.467 2.548 10 0 CFAEMP COC1CC[NH+]([C@@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052455061 522708104 /nfs/dbraw/zinc/70/81/04/522708104.db2.gz CERJVWNXAZURFE-AWEZNQCLSA-N 2 1 256.434 2.510 10 0 CFAEMP C[N@@H+](CCCNCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000049332286 522772603 /nfs/dbraw/zinc/77/26/03/522772603.db2.gz ZPPLVXHNEIOEDB-UHFFFAOYSA-N 2 1 289.467 2.584 10 0 CFAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764582 522789238 /nfs/dbraw/zinc/78/92/38/522789238.db2.gz KDJXFMFCFLURQC-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP CC[C@@H]1CCCC[N@@H+]1Cc1csc(C[NH2+]C)n1 ZINC000052447155 523179120 /nfs/dbraw/zinc/17/91/20/523179120.db2.gz TYDLTSWFUSQEMA-GFCCVEGCSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[C@@H]1CCCC[N@H+]1Cc1csc(C[NH2+]C)n1 ZINC000052447155 523179125 /nfs/dbraw/zinc/17/91/25/523179125.db2.gz TYDLTSWFUSQEMA-GFCCVEGCSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052479875 523252931 /nfs/dbraw/zinc/25/29/31/523252931.db2.gz HYXCRVJDYCCUCX-CYBMUJFWSA-N 2 1 250.386 2.929 10 0 CFAEMP COc1ccc(CC[N@H+]2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011077 523950687 /nfs/dbraw/zinc/95/06/87/523950687.db2.gz BVHMACQMJWUDGT-MRXNPFEDSA-N 2 1 276.424 2.558 10 0 CFAEMP COc1ccc(CC[N@H+]2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053011062 523950884 /nfs/dbraw/zinc/95/08/84/523950884.db2.gz JCGRFYCMGMUKCS-QGZVFWFLSA-N 2 1 290.451 2.805 10 0 CFAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419889 524139898 /nfs/dbraw/zinc/13/98/98/524139898.db2.gz XPSYQMNQDNKWAC-CQSZACIVSA-N 2 1 269.477 2.569 10 0 CFAEMP Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n1 ZINC000049554292 524336212 /nfs/dbraw/zinc/33/62/12/524336212.db2.gz IEJHUIULAXJYMA-OCCSQVGLSA-N 2 1 263.429 2.998 10 0 CFAEMP C[C@H]1C[NH+](Cc2cccc(C[NH2+]C3CC3)c2)C[C@H](C)O1 ZINC000052380266 524622656 /nfs/dbraw/zinc/62/26/56/524622656.db2.gz MPQAKRABSWKEIF-KBPBESRZSA-N 2 1 274.408 2.548 10 0 CFAEMP Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2)oc1C[NH3+] ZINC000052346181 524662799 /nfs/dbraw/zinc/66/27/99/524662799.db2.gz UNKRIMJKSCERLK-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP Cc1cc(C[N@H+](C)Cc2ccc(F)cc2)oc1C[NH3+] ZINC000052346181 524662810 /nfs/dbraw/zinc/66/28/10/524662810.db2.gz UNKRIMJKSCERLK-UHFFFAOYSA-N 2 1 262.328 2.818 10 0 CFAEMP C[C@H]1COCC[N@@H+]1Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052476110 524724740 /nfs/dbraw/zinc/72/47/40/524724740.db2.gz GNZZNCADOTVISK-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@H]1COCC[N@H+]1Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052476110 524724745 /nfs/dbraw/zinc/72/47/45/524724745.db2.gz GNZZNCADOTVISK-AWEZNQCLSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1C[N@@H+](CCCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476647 524941045 /nfs/dbraw/zinc/94/10/45/524941045.db2.gz AKFWEJCAOUDLBF-ZIAGYGMSSA-N 2 1 256.434 2.654 10 0 CFAEMP COc1cccc(C[N@@H+](C)CCCC[NH2+]C2CC2)c1 ZINC000052372861 525914291 /nfs/dbraw/zinc/91/42/91/525914291.db2.gz ODJGTEUOSOZOLX-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP c1ccc2c(c1)CC[N@H+](CCCCC[NH2+]C1CC1)C2 ZINC000052419155 526503944 /nfs/dbraw/zinc/50/39/44/526503944.db2.gz XVFYNWVWMFQUDE-UHFFFAOYSA-N 2 1 258.409 2.967 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@@H+]1CCc2sccc2C1 ZINC000052416544 526771940 /nfs/dbraw/zinc/77/19/40/526771940.db2.gz BRUZOCBXXQKICZ-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+]1CCc2sccc2C1 ZINC000052416544 526771948 /nfs/dbraw/zinc/77/19/48/526771948.db2.gz BRUZOCBXXQKICZ-UHFFFAOYSA-N 2 1 262.378 2.667 10 0 CFAEMP [NH3+]CCC[N@@H+](CCCCCO)C1CCCCCC1 ZINC000051020258 527178871 /nfs/dbraw/zinc/17/88/71/527178871.db2.gz CUWRLMFPQVFVEN-UHFFFAOYSA-N 2 1 256.434 2.523 10 0 CFAEMP [NH3+]Cc1oc2ccccc2c1C[N@@H+]1CCCSCC1 ZINC000052371052 527267518 /nfs/dbraw/zinc/26/75/18/527267518.db2.gz CJZTVRUSKCZSQX-UHFFFAOYSA-N 2 1 276.405 2.830 10 0 CFAEMP [NH3+]Cc1oc2ccccc2c1C[N@H+]1CCCSCC1 ZINC000052371052 527267524 /nfs/dbraw/zinc/26/75/24/527267524.db2.gz CJZTVRUSKCZSQX-UHFFFAOYSA-N 2 1 276.405 2.830 10 0 CFAEMP Cc1[nH+]ccn1-c1nc(C)cc(C)c1C[NH2+]C(C)C ZINC000051491089 527387276 /nfs/dbraw/zinc/38/72/76/527387276.db2.gz AITMJDIFWBPHNS-UHFFFAOYSA-N 2 1 258.369 2.691 10 0 CFAEMP Cn1c2ccccc2[nH+]c1NCC1([NH3+])CCCCC1 ZINC000261579782 619172707 /nfs/dbraw/zinc/17/27/07/619172707.db2.gz DYCXEAUFQCPCAZ-UHFFFAOYSA-N 2 1 258.369 2.647 10 0 CFAEMP c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729021 178245362 /nfs/dbraw/zinc/24/53/62/178245362.db2.gz NMHGTASCHLGLDR-IAGOWNOFSA-N 2 1 258.409 2.693 10 0 CFAEMP COc1cc[nH+]c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000039318185 346343212 /nfs/dbraw/zinc/34/32/12/346343212.db2.gz APPWWIUGJSTIDI-UHFFFAOYSA-N 2 1 251.374 2.621 10 0 CFAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817214 179344852 /nfs/dbraw/zinc/34/48/52/179344852.db2.gz HPEJKIZAKWGUNP-DOMZBBRYSA-N 2 1 250.361 2.961 10 0 CFAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2cc(C)cc(C)c2)CC1 ZINC000086848324 179357270 /nfs/dbraw/zinc/35/72/70/179357270.db2.gz HNGJKRFEZGOBRW-SFHVURJKSA-N 2 1 289.467 2.943 10 0 CFAEMP CCC[N@H+]1CCC[C@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842525 179352440 /nfs/dbraw/zinc/35/24/40/179352440.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 2 1 281.488 2.572 10 0 CFAEMP CCC[N@@H+]1CCC[C@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842525 179352442 /nfs/dbraw/zinc/35/24/42/179352442.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 2 1 281.488 2.572 10 0 CFAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842525 179352443 /nfs/dbraw/zinc/35/24/43/179352443.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 2 1 281.488 2.572 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842502 179353806 /nfs/dbraw/zinc/35/38/06/179353806.db2.gz NOONBVKCEYVNEJ-QGZVFWFLSA-N 2 1 281.488 2.715 10 0 CFAEMP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@@H+](CC)CC1 ZINC000086868546 179360518 /nfs/dbraw/zinc/36/05/18/179360518.db2.gz JLCMGZDGECCOST-MRXNPFEDSA-N 2 1 284.444 2.526 10 0 CFAEMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000255113775 348303161 /nfs/dbraw/zinc/30/31/61/348303161.db2.gz HKYHFRUGRQFQJA-FXFXYLOPSA-N 2 1 288.435 2.526 10 0 CFAEMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2N)C[N@H+]1Cc1ccccc1 ZINC000306581254 348389915 /nfs/dbraw/zinc/38/99/15/348389915.db2.gz OMTULPYBHFTGNT-DZGCQCFKSA-N 2 1 282.391 2.739 10 0 CFAEMP Cc1ncsc1C[N@@H+](C)CCC[C@H]1CCCC[NH2+]1 ZINC000104443329 186003989 /nfs/dbraw/zinc/00/39/89/186003989.db2.gz IXCDXJRDWDQZDB-CYBMUJFWSA-N 2 1 267.442 2.806 10 0 CFAEMP Cc1[nH+]ccn1-c1ccc(C2CC[NH2+]CC2)c(C)c1 ZINC000091365823 180142600 /nfs/dbraw/zinc/14/26/00/180142600.db2.gz SQGYQCYNURMFRM-UHFFFAOYSA-N 2 1 255.365 2.956 10 0 CFAEMP CO[C@H]1C[N@H+](Cc2c(C)cc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630358952 355064689 /nfs/dbraw/zinc/06/46/89/355064689.db2.gz BHLHGQVNYRYBTC-WBVHZDCISA-N 2 1 276.424 2.550 10 0 CFAEMP CO[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630358952 355064690 /nfs/dbraw/zinc/06/46/90/355064690.db2.gz BHLHGQVNYRYBTC-WBVHZDCISA-N 2 1 276.424 2.550 10 0 CFAEMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840089 355602679 /nfs/dbraw/zinc/60/26/79/355602679.db2.gz PJLOYBFHNOSFDY-YPMHNXCESA-N 2 1 289.810 2.915 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841393 355604027 /nfs/dbraw/zinc/60/40/27/355604027.db2.gz KFXQGMCMKCBVGC-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841393 355604028 /nfs/dbraw/zinc/60/40/28/355604028.db2.gz KFXQGMCMKCBVGC-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP Clc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958005 189157148 /nfs/dbraw/zinc/15/71/48/189157148.db2.gz YNDBHDMJPOEXBK-MRXNPFEDSA-N 2 1 294.826 2.713 10 0 CFAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516320 374701199 /nfs/dbraw/zinc/70/11/99/374701199.db2.gz AJLLMYQZLMMQCO-WMZOPIPTSA-N 2 1 290.451 2.558 10 0 CFAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516320 374701207 /nfs/dbraw/zinc/70/12/07/374701207.db2.gz AJLLMYQZLMMQCO-WMZOPIPTSA-N 2 1 290.451 2.558 10 0 CFAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516320 374701215 /nfs/dbraw/zinc/70/12/15/374701215.db2.gz AJLLMYQZLMMQCO-WMZOPIPTSA-N 2 1 290.451 2.558 10 0 CFAEMP CC(C)[NH2+][C@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095088340 375409864 /nfs/dbraw/zinc/40/98/64/375409864.db2.gz VUNPAHLTIXBIGB-QZTJIDSGSA-N 2 1 290.451 2.648 10 0 CFAEMP COCCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876731 376264242 /nfs/dbraw/zinc/26/42/42/376264242.db2.gz ZWDKRAYBUVTCDY-HNNXBMFYSA-N 2 1 277.412 2.550 10 0 CFAEMP COCCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876731 376264247 /nfs/dbraw/zinc/26/42/47/376264247.db2.gz ZWDKRAYBUVTCDY-HNNXBMFYSA-N 2 1 277.412 2.550 10 0 CFAEMP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000400331303 380855769 /nfs/dbraw/zinc/85/57/69/380855769.db2.gz DSWZOZNZABHVEU-GRYCIOLGSA-N 2 1 284.350 2.937 10 0 CFAEMP CCCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000187158636 382114382 /nfs/dbraw/zinc/11/43/82/382114382.db2.gz CKZGEDZMESHXLH-GOSISDBHSA-N 2 1 290.451 2.576 10 0 CFAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000301883558 382198506 /nfs/dbraw/zinc/19/85/06/382198506.db2.gz NLWCUBHZQYHPMN-BXUZGUMPSA-N 2 1 258.369 2.704 10 0 CFAEMP CCSCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188649064 382448516 /nfs/dbraw/zinc/44/85/16/382448516.db2.gz UCNUEICABRYROG-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188649064 382448524 /nfs/dbraw/zinc/44/85/24/382448524.db2.gz UCNUEICABRYROG-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188649064 382448529 /nfs/dbraw/zinc/44/85/29/382448529.db2.gz UCNUEICABRYROG-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CCSCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188649064 382448534 /nfs/dbraw/zinc/44/85/34/382448534.db2.gz UCNUEICABRYROG-MRXNPFEDSA-N 2 1 293.480 2.588 10 0 CFAEMP CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188397862 382407174 /nfs/dbraw/zinc/40/71/74/382407174.db2.gz WIDMNUNEDDDNIL-MRXNPFEDSA-N 2 1 285.391 2.946 10 0 CFAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000381124917 382518652 /nfs/dbraw/zinc/51/86/52/382518652.db2.gz FFIGWDZJBNHFCC-DTZQCDIJSA-N 2 1 250.430 2.872 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358254707 382530275 /nfs/dbraw/zinc/53/02/75/382530275.db2.gz ZPGQGEUYUWXZRB-ONIAQPFYSA-N 2 1 288.435 2.807 10 0 CFAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358254707 382530278 /nfs/dbraw/zinc/53/02/78/382530278.db2.gz ZPGQGEUYUWXZRB-ONIAQPFYSA-N 2 1 288.435 2.807 10 0 CFAEMP CC[C@H]1CCCC[N@H+]1CCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085239614 184608406 /nfs/dbraw/zinc/60/84/06/184608406.db2.gz PWPVVIROCNLQMC-HOTGVXAUSA-N 2 1 270.461 2.780 10 0 CFAEMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC000231458166 382864862 /nfs/dbraw/zinc/86/48/62/382864862.db2.gz NFTODJTUTQUNTC-CQSZACIVSA-N 2 1 252.427 2.939 10 0 CFAEMP c1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246617598 383086694 /nfs/dbraw/zinc/08/66/94/383086694.db2.gz MLQZVSGSHSKSTR-AWEZNQCLSA-N 2 1 267.376 2.909 10 0 CFAEMP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998834 383455892 /nfs/dbraw/zinc/45/58/92/383455892.db2.gz LOXUEKNRVGXXEP-YPMHNXCESA-N 2 1 258.365 2.768 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@@H]12 ZINC000261544071 383508863 /nfs/dbraw/zinc/50/88/63/383508863.db2.gz DOMIDBLGXCYVRU-MRVWCRGKSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@@H]12 ZINC000261544071 383508868 /nfs/dbraw/zinc/50/88/68/383508868.db2.gz DOMIDBLGXCYVRU-MRVWCRGKSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]12 ZINC000261577686 383518393 /nfs/dbraw/zinc/51/83/93/383518393.db2.gz LIIKPKRQEJGKEX-DVVUODLYSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]12 ZINC000261577686 383518395 /nfs/dbraw/zinc/51/83/95/383518395.db2.gz LIIKPKRQEJGKEX-DVVUODLYSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698506 383543670 /nfs/dbraw/zinc/54/36/70/383543670.db2.gz NXNDCWJPJZLIFQ-DIOULYMOSA-N 2 1 285.366 2.543 10 0 CFAEMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261944221 383584708 /nfs/dbraw/zinc/58/47/08/383584708.db2.gz NHQDXXOIGPWHQA-ZKXLYKBJSA-N 2 1 294.483 2.950 10 0 CFAEMP CCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000261964449 383587762 /nfs/dbraw/zinc/58/77/62/383587762.db2.gz PXQUKXWKFNHONC-OAGGEKHMSA-N 2 1 280.456 2.704 10 0 CFAEMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000262012512 383595140 /nfs/dbraw/zinc/59/51/40/383595140.db2.gz VGRSGPSMBZTMBG-CQSZACIVSA-N 2 1 280.387 2.798 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262030998 383596724 /nfs/dbraw/zinc/59/67/24/383596724.db2.gz XEYHEJZCSATHQB-CGTJXYLNSA-N 2 1 286.419 2.645 10 0 CFAEMP CC(C)N(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261753442 383554111 /nfs/dbraw/zinc/55/41/11/383554111.db2.gz CHRHKKQBHRZLLF-INIZCTEOSA-N 2 1 290.455 2.500 10 0 CFAEMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261753442 383554115 /nfs/dbraw/zinc/55/41/15/383554115.db2.gz CHRHKKQBHRZLLF-INIZCTEOSA-N 2 1 290.455 2.500 10 0 CFAEMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261787708 383561441 /nfs/dbraw/zinc/56/14/41/383561441.db2.gz OGADVPBCHLDRCK-HOTGVXAUSA-N 2 1 260.425 2.857 10 0 CFAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381576496 393564868 /nfs/dbraw/zinc/56/48/68/393564868.db2.gz IQVUQDPNRRFWRO-AVGNSLFASA-N 2 1 260.372 2.871 10 0 CFAEMP C[NH+](C)C1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCCC1 ZINC000085629979 393751851 /nfs/dbraw/zinc/75/18/51/393751851.db2.gz SKYOKJXIUGMLKP-KKUMJFAQSA-N 2 1 280.456 2.654 10 0 CFAEMP c1ccc2c(C[NH2+]C3CC[NH+](C4CC4)CC3)ccnc2c1 ZINC000111763396 393887020 /nfs/dbraw/zinc/88/70/20/393887020.db2.gz FWGRPTWLPMDMJH-UHFFFAOYSA-N 2 1 281.403 2.951 10 0 CFAEMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C[C@@H]2C1 ZINC000262047216 393952891 /nfs/dbraw/zinc/95/28/91/393952891.db2.gz ZFGXTFGUFXGWSY-OIGKAMSRSA-N 2 1 292.467 2.702 10 0 CFAEMP CC[NH+](CC)c1ccc(N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000083545963 135029128 /nfs/dbraw/zinc/02/91/28/135029128.db2.gz QFUDTJXYCPTBTK-QGZVFWFLSA-N 2 1 275.440 2.967 10 0 CFAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000342687663 298377871 /nfs/dbraw/zinc/37/78/71/298377871.db2.gz SAMGJWXSGQTSPS-HUUCEWRRSA-N 2 1 270.461 2.638 10 0 CFAEMP C[N@H+](CCc1ccccn1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000020260950 171118541 /nfs/dbraw/zinc/11/85/41/171118541.db2.gz HSSLHLFHBXAOGG-JKSUJKDBSA-N 2 1 261.413 2.606 10 0 CFAEMP C[N@@H+](CCc1ccccn1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000020260950 171118542 /nfs/dbraw/zinc/11/85/42/171118542.db2.gz HSSLHLFHBXAOGG-JKSUJKDBSA-N 2 1 261.413 2.606 10 0 CFAEMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH3+])cc1 ZINC000036127916 172448359 /nfs/dbraw/zinc/44/83/59/172448359.db2.gz HHGUGTKZRJZNIY-UHFFFAOYSA-N 2 1 258.340 2.916 10 0 CFAEMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037158826 172994731 /nfs/dbraw/zinc/99/47/31/172994731.db2.gz DQTCYOPKDMAMKF-HIFRSBDPSA-N 2 1 250.361 2.775 10 0 CFAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221361 173040363 /nfs/dbraw/zinc/04/03/63/173040363.db2.gz JNUFNXJWNAGZOZ-CVEARBPZSA-N 2 1 270.461 2.759 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000037229390 173049075 /nfs/dbraw/zinc/04/90/75/173049075.db2.gz LQWBRGYFGUOUKL-LBPRGKRZSA-N 2 1 267.442 2.978 10 0 CFAEMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[NH2+]CC1 ZINC000037365300 173154591 /nfs/dbraw/zinc/15/45/91/173154591.db2.gz SYZXHGMKHULKKJ-UHFFFAOYSA-N 2 1 262.441 2.888 10 0 CFAEMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000665299000 414271405 /nfs/dbraw/zinc/27/14/05/414271405.db2.gz DSDIYOBXIPVGEH-MNOVXSKESA-N 2 1 287.329 2.578 10 0 CFAEMP CC[N@@H+](CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078697 174088664 /nfs/dbraw/zinc/08/86/64/174088664.db2.gz OEIATIMHGSPUEW-UHFFFAOYSA-N 2 1 264.438 2.853 10 0 CFAEMP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000040506735 174302111 /nfs/dbraw/zinc/30/21/11/174302111.db2.gz XFHFYTIWQRAUKB-HOTGVXAUSA-N 2 1 270.461 2.903 10 0 CFAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000040593374 174347766 /nfs/dbraw/zinc/34/77/66/174347766.db2.gz NBKSEAQCEPNLDN-AWEZNQCLSA-N 2 1 271.408 2.610 10 0 CFAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622207 174354749 /nfs/dbraw/zinc/35/47/49/174354749.db2.gz IJGDNXORJXBUFT-KRWDZBQOSA-N 2 1 260.425 2.939 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040623444 174355671 /nfs/dbraw/zinc/35/56/71/174355671.db2.gz AMDMFDDXZLTGTQ-WCQYABFASA-N 2 1 267.442 2.832 10 0 CFAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040623444 174355674 /nfs/dbraw/zinc/35/56/74/174355674.db2.gz AMDMFDDXZLTGTQ-WCQYABFASA-N 2 1 267.442 2.832 10 0 CFAEMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000040746550 174391487 /nfs/dbraw/zinc/39/14/87/174391487.db2.gz SYCIZALEPVVGQU-YIONKMFJSA-N 2 1 290.407 2.506 10 0 CFAEMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000040746550 174391489 /nfs/dbraw/zinc/39/14/89/174391489.db2.gz SYCIZALEPVVGQU-YIONKMFJSA-N 2 1 290.407 2.506 10 0 CFAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1Br ZINC000043093675 174964581 /nfs/dbraw/zinc/96/45/81/174964581.db2.gz FNCYVMCREBJWOQ-LBPRGKRZSA-N 2 1 280.169 2.502 10 0 CFAEMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326318 175007505 /nfs/dbraw/zinc/00/75/05/175007505.db2.gz IQCOCKJJEIALAR-RISCZKNCSA-N 2 1 252.789 2.613 10 0 CFAEMP CC[C@@H]([NH3+])[C@@H](c1ccncc1)n1cc[nH+]c1C(C)C ZINC000043354956 175023029 /nfs/dbraw/zinc/02/30/29/175023029.db2.gz WAWDRJFUJWDPTF-ZIAGYGMSSA-N 2 1 258.369 2.728 10 0 CFAEMP CC[C@@H](N)[C@@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364995 175026446 /nfs/dbraw/zinc/02/64/46/175026446.db2.gz LLXWIIGKFWUQCD-WBVHZDCISA-N 2 1 293.455 2.640 10 0 CFAEMP COc1ccc(C[N@@H+](CCC[NH3+])CC(C)C)cc1OC ZINC000043417535 175038224 /nfs/dbraw/zinc/03/82/24/175038224.db2.gz VOCOJCVHRKEOCX-UHFFFAOYSA-N 2 1 280.412 2.511 10 0 CFAEMP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000043498812 175058219 /nfs/dbraw/zinc/05/82/19/175058219.db2.gz MBVWTUKZKQTUMA-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC000043498812 175058221 /nfs/dbraw/zinc/05/82/21/175058221.db2.gz MBVWTUKZKQTUMA-HNNXBMFYSA-N 2 1 250.361 2.790 10 0 CFAEMP CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818512 175112843 /nfs/dbraw/zinc/11/28/43/175112843.db2.gz DXIQPJLKPXEMRN-FUHWJXTLSA-N 2 1 289.467 2.753 10 0 CFAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000043818403 175113403 /nfs/dbraw/zinc/11/34/03/175113403.db2.gz BKVVARVTBTXTFQ-GOSISDBHSA-N 2 1 289.467 2.592 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818554 175113631 /nfs/dbraw/zinc/11/36/31/175113631.db2.gz ZMTABGDZBUIEDV-IKGGRYGDSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888997 175117359 /nfs/dbraw/zinc/11/73/59/175117359.db2.gz VQZHMAUTSGPQDZ-HRCADAONSA-N 2 1 298.471 2.771 10 0 CFAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)C2CCOCC2)c1 ZINC000043898315 175120896 /nfs/dbraw/zinc/12/08/96/175120896.db2.gz NAAPRDAITWSOCV-CYBMUJFWSA-N 2 1 292.423 2.586 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966931 175128131 /nfs/dbraw/zinc/12/81/31/175128131.db2.gz HKJTXIRPWWSDIX-XHSDSOJGSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966931 175128132 /nfs/dbraw/zinc/12/81/32/175128132.db2.gz HKJTXIRPWWSDIX-XHSDSOJGSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](CC)CCOC)C1 ZINC000043968589 175129940 /nfs/dbraw/zinc/12/99/40/175129940.db2.gz YZHOZIIDKWQTNI-QLFBSQMISA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](CC)CCOC)C1 ZINC000043968589 175129942 /nfs/dbraw/zinc/12/99/42/175129942.db2.gz YZHOZIIDKWQTNI-QLFBSQMISA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+](CC)CCOC)C1 ZINC000043968591 175129999 /nfs/dbraw/zinc/12/99/99/175129999.db2.gz YZHOZIIDKWQTNI-RBSFLKMASA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+](CC)CCOC)C1 ZINC000043968591 175130000 /nfs/dbraw/zinc/13/00/00/175130000.db2.gz YZHOZIIDKWQTNI-RBSFLKMASA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969403 175130236 /nfs/dbraw/zinc/13/02/36/175130236.db2.gz ZTTVWYWNZOSPIS-AJNGGQMLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969403 175130237 /nfs/dbraw/zinc/13/02/37/175130237.db2.gz ZTTVWYWNZOSPIS-AJNGGQMLSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969407 175130480 /nfs/dbraw/zinc/13/04/80/175130480.db2.gz ZTTVWYWNZOSPIS-QPSCCSFWSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969407 175130482 /nfs/dbraw/zinc/13/04/82/175130482.db2.gz ZTTVWYWNZOSPIS-QPSCCSFWSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969405 175130722 /nfs/dbraw/zinc/13/07/22/175130722.db2.gz ZTTVWYWNZOSPIS-BARDWOONSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969405 175130724 /nfs/dbraw/zinc/13/07/24/175130724.db2.gz ZTTVWYWNZOSPIS-BARDWOONSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@@H](C[N@H+](CCOC)CC(C)C)C(C)(C)C ZINC000043970375 175130869 /nfs/dbraw/zinc/13/08/69/175130869.db2.gz STWKACPQPOWGEA-AWEZNQCLSA-N 2 1 258.450 2.615 10 0 CFAEMP CC[NH2+][C@@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)C ZINC000043970375 175130870 /nfs/dbraw/zinc/13/08/70/175130870.db2.gz STWKACPQPOWGEA-AWEZNQCLSA-N 2 1 258.450 2.615 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970498 175131271 /nfs/dbraw/zinc/13/12/71/175131271.db2.gz WVBLLOTYGONOEX-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970498 175131272 /nfs/dbraw/zinc/13/12/72/175131272.db2.gz WVBLLOTYGONOEX-HUUCEWRRSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970500 175131424 /nfs/dbraw/zinc/13/14/24/175131424.db2.gz WVBLLOTYGONOEX-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970500 175131425 /nfs/dbraw/zinc/13/14/25/175131425.db2.gz WVBLLOTYGONOEX-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[C@H]([NH2+]CC)[C@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970727 175131710 /nfs/dbraw/zinc/13/17/10/175131710.db2.gz VLPBUHDBVQKQEK-IRXDYDNUSA-N 3 1 283.504 2.817 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970729 175131980 /nfs/dbraw/zinc/13/19/80/175131980.db2.gz VLPBUHDBVQKQEK-SJORKVTESA-N 3 1 283.504 2.817 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CC(C)C)C(C)C ZINC000043974125 175132569 /nfs/dbraw/zinc/13/25/69/175132569.db2.gz FRDAQNMGZNULIJ-HUUCEWRRSA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CC(C)C)C(C)C ZINC000043974125 175132571 /nfs/dbraw/zinc/13/25/71/175132571.db2.gz FRDAQNMGZNULIJ-HUUCEWRRSA-N 2 1 256.434 2.510 10 0 CFAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCOC)[C@@H](C)CC ZINC000043973368 175132604 /nfs/dbraw/zinc/13/26/04/175132604.db2.gz NAALTTNZQMYYAI-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCCC[N@H+](C(C)C)[C@H]1COCC[C@@H]1[NH2+]CC ZINC000043971980 175132677 /nfs/dbraw/zinc/13/26/77/175132677.db2.gz OLDKGDGTXPMJIT-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCCCC[N@@H+](C(C)C)[C@H]1COCC[C@@H]1[NH2+]CC ZINC000043971980 175132680 /nfs/dbraw/zinc/13/26/80/175132680.db2.gz OLDKGDGTXPMJIT-GJZGRUSLSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977838 175133494 /nfs/dbraw/zinc/13/34/94/175133494.db2.gz DHJHHMRYFIUIPU-BPUTZDHNSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@H](C)CC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977929 175133682 /nfs/dbraw/zinc/13/36/82/175133682.db2.gz YVEDEWNOIQBWOY-KGLIPLIRSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977574 175133723 /nfs/dbraw/zinc/13/37/23/175133723.db2.gz UIZMBWFPYRQVCI-OTRWWLKZSA-N 2 1 282.472 2.900 10 0 CFAEMP C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1n1cc[nH+]c1C ZINC000043994043 175136416 /nfs/dbraw/zinc/13/64/16/175136416.db2.gz WHOLJHGIYPCNNQ-CVEARBPZSA-N 2 1 271.364 2.648 10 0 CFAEMP CC[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000044172714 175149369 /nfs/dbraw/zinc/14/93/69/175149369.db2.gz GQIZVBAUVGQDJO-ROUUACIJSA-N 2 1 290.451 2.915 10 0 CFAEMP CC[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000044172714 175149371 /nfs/dbraw/zinc/14/93/71/175149371.db2.gz GQIZVBAUVGQDJO-ROUUACIJSA-N 2 1 290.451 2.915 10 0 CFAEMP CC(C)c1nn(C)cc1C[NH2+]CCCC[N@H+](C)C(C)C ZINC000044573082 175210104 /nfs/dbraw/zinc/21/01/04/175210104.db2.gz QNOUOLQBQJBEAF-UHFFFAOYSA-N 2 1 280.460 2.754 10 0 CFAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677457 175227571 /nfs/dbraw/zinc/22/75/71/175227571.db2.gz YNZSIJXXRKKPMO-RKTXRCNFSA-N 2 1 258.409 2.862 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067062 175300183 /nfs/dbraw/zinc/30/01/83/175300183.db2.gz ZUCAUGAONHWLKF-GVDBMIGSSA-N 2 1 290.455 2.853 10 0 CFAEMP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067062 175300185 /nfs/dbraw/zinc/30/01/85/175300185.db2.gz ZUCAUGAONHWLKF-GVDBMIGSSA-N 2 1 290.455 2.853 10 0 CFAEMP CC[C@H]1CC[N@@H+](CCOCCC(C)C)CCC[NH2+]1 ZINC000045109357 175309205 /nfs/dbraw/zinc/30/92/05/175309205.db2.gz UXFGXXSPCORHPY-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[C@@H]1CC[N@@H+](CCOCCC(C)C)CCC[NH2+]1 ZINC000045109356 175309534 /nfs/dbraw/zinc/30/95/34/175309534.db2.gz UXFGXXSPCORHPY-OAHLLOKOSA-N 2 1 256.434 2.513 10 0 CFAEMP CC(C)[N@@H+]1CC[C@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000045118653 175311552 /nfs/dbraw/zinc/31/15/52/175311552.db2.gz KPOVKVYVWRDXQJ-CYBMUJFWSA-N 2 1 284.407 2.959 10 0 CFAEMP CC(C)[N@H+]1CC[C@H](CNc2ccc(N)c3c[nH+]ccc23)C1 ZINC000045118653 175311554 /nfs/dbraw/zinc/31/15/54/175311554.db2.gz KPOVKVYVWRDXQJ-CYBMUJFWSA-N 2 1 284.407 2.959 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045368235 175362862 /nfs/dbraw/zinc/36/28/62/175362862.db2.gz OMYHIQYLCJZNDI-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045368235 175362863 /nfs/dbraw/zinc/36/28/63/175362863.db2.gz OMYHIQYLCJZNDI-INIZCTEOSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045370490 175364007 /nfs/dbraw/zinc/36/40/07/175364007.db2.gz KKGJSIRLGLNNKL-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045370490 175364008 /nfs/dbraw/zinc/36/40/08/175364008.db2.gz KKGJSIRLGLNNKL-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C1CCCCC1 ZINC000045379065 175368088 /nfs/dbraw/zinc/36/80/88/175368088.db2.gz GXIVMVRLRRSILG-INIZCTEOSA-N 2 1 284.444 2.702 10 0 CFAEMP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386409 175372674 /nfs/dbraw/zinc/37/26/74/175372674.db2.gz VWBAWVZPANQYSR-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386409 175372675 /nfs/dbraw/zinc/37/26/75/175372675.db2.gz VWBAWVZPANQYSR-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386414 175373102 /nfs/dbraw/zinc/37/31/02/175373102.db2.gz VWBAWVZPANQYSR-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386414 175373104 /nfs/dbraw/zinc/37/31/04/175373104.db2.gz VWBAWVZPANQYSR-MRXNPFEDSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386576 175373165 /nfs/dbraw/zinc/37/31/65/175373165.db2.gz KVZMRHKAXVCQLP-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386576 175373166 /nfs/dbraw/zinc/37/31/66/175373166.db2.gz KVZMRHKAXVCQLP-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045390494 175374429 /nfs/dbraw/zinc/37/44/29/175374429.db2.gz CQDJXBGUNGCGQH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390494 175374431 /nfs/dbraw/zinc/37/44/31/175374431.db2.gz CQDJXBGUNGCGQH-QGZVFWFLSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390470 175374467 /nfs/dbraw/zinc/37/44/67/175374467.db2.gz RBUKBVOIHRTURA-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390470 175374469 /nfs/dbraw/zinc/37/44/69/175374469.db2.gz RBUKBVOIHRTURA-INIZCTEOSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421736 175380565 /nfs/dbraw/zinc/38/05/65/175380565.db2.gz YAYXBRHBFBAXAD-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421736 175380566 /nfs/dbraw/zinc/38/05/66/175380566.db2.gz YAYXBRHBFBAXAD-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000071142596 176040346 /nfs/dbraw/zinc/04/03/46/176040346.db2.gz UFFXLMDXHQSURS-SMDDNHRTSA-N 2 1 250.411 2.741 10 0 CFAEMP C[C@@H]([NH3+])[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390686221 262240716 /nfs/dbraw/zinc/24/07/16/262240716.db2.gz YAPZCXHTYXLPFD-IZVVFDKHSA-N 2 1 287.451 2.507 10 0 CFAEMP CC1(C)C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569204 278334536 /nfs/dbraw/zinc/33/45/36/278334536.db2.gz JPUZFWSHDVLHNY-NEPJUHHUSA-N 2 1 260.372 2.871 10 0 CFAEMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000093464182 279368143 /nfs/dbraw/zinc/36/81/43/279368143.db2.gz FBXIWRFZPNFKFI-VNHYZAJKSA-N 2 1 260.381 2.630 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000052476622 519743653 /nfs/dbraw/zinc/74/36/53/519743653.db2.gz BDLJDQYTGMMHSG-RRFJBIMHSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)[C@H](C)NC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049307629 519812225 /nfs/dbraw/zinc/81/22/25/519812225.db2.gz LLJMGBZJXXRBFE-HNNXBMFYSA-N 2 1 297.487 2.521 10 0 CFAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182068 519909449 /nfs/dbraw/zinc/90/94/49/519909449.db2.gz FKYYBVOETUKJRK-CVEARBPZSA-N 2 1 282.472 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@H+]2CCCC[C@@H]2CC)CCOCC1 ZINC000052181284 519912600 /nfs/dbraw/zinc/91/26/00/519912600.db2.gz QLQWJTQTGGKXOA-HNNXBMFYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]CCCC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545267 519911944 /nfs/dbraw/zinc/91/19/44/519911944.db2.gz YNIGLJQKOILNKK-AWEZNQCLSA-N 2 1 256.434 2.513 10 0 CFAEMP CCC[NH2+]CCC[C@@H](C)OCC[C@H]1CCC[N@H+]1C ZINC000052673527 519913395 /nfs/dbraw/zinc/91/33/95/519913395.db2.gz ZLKHIURTUZJFIU-HUUCEWRRSA-N 2 1 256.434 2.656 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCCC[C@H]2C)cs1 ZINC000052378462 520021293 /nfs/dbraw/zinc/02/12/93/520021293.db2.gz ZICJQDBFSXHKME-LLVKDONJSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCCC[C@H]2C)cs1 ZINC000052378462 520021304 /nfs/dbraw/zinc/02/13/04/520021304.db2.gz ZICJQDBFSXHKME-LLVKDONJSA-N 2 1 253.415 2.627 10 0 CFAEMP CCCCC[N@H+](C)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052454760 520152524 /nfs/dbraw/zinc/15/25/24/520152524.db2.gz LYXROAQILPHFLC-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CCCCC[N@@H+](C)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052454760 520152534 /nfs/dbraw/zinc/15/25/34/520152534.db2.gz LYXROAQILPHFLC-UHFFFAOYSA-N 2 1 251.374 2.549 10 0 CFAEMP CCCC[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180924 520398151 /nfs/dbraw/zinc/39/81/51/520398151.db2.gz JSAGJMXICDYXGU-UHFFFAOYSA-N 2 1 270.461 2.903 10 0 CFAEMP CCCC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052182582 520484786 /nfs/dbraw/zinc/48/47/86/520484786.db2.gz NNKTZPRZPULPJY-UHFFFAOYSA-N 2 1 280.456 2.800 10 0 CFAEMP CCC[C@H](C)NC(=O)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049287617 521045851 /nfs/dbraw/zinc/04/58/51/521045851.db2.gz WPOOZBRRFIPSNV-HNNXBMFYSA-N 2 1 297.487 2.665 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cs1 ZINC000052546477 522150397 /nfs/dbraw/zinc/15/03/97/522150397.db2.gz AJWYWNFHXNWSLE-DGCLKSJQSA-N 2 1 267.442 2.873 10 0 CFAEMP C[NH2+]Cc1nc(C[N@H+](C)C2CCCCC2)cs1 ZINC000052419200 522150656 /nfs/dbraw/zinc/15/06/56/522150656.db2.gz OUVMFECRJVREEQ-UHFFFAOYSA-N 2 1 253.415 2.627 10 0 CFAEMP C[NH2+]Cc1nc(C[N@@H+](C)C2CCCCC2)cs1 ZINC000052419200 522150662 /nfs/dbraw/zinc/15/06/62/522150662.db2.gz OUVMFECRJVREEQ-UHFFFAOYSA-N 2 1 253.415 2.627 10 0 CFAEMP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](CCOC)CC(C)C ZINC000052508435 522544589 /nfs/dbraw/zinc/54/45/89/522544589.db2.gz GTLLACXQGVSYTC-AWEZNQCLSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](CCOC)CC(C)C ZINC000052508435 522544600 /nfs/dbraw/zinc/54/46/00/522544600.db2.gz GTLLACXQGVSYTC-AWEZNQCLSA-N 2 1 258.450 2.758 10 0 CFAEMP CC(C)(c1ccc(F)cc1)[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 ZINC000069396537 519379187 /nfs/dbraw/zinc/37/91/87/519379187.db2.gz VEFBMKXCEYEGLD-AWEZNQCLSA-N 2 1 273.355 2.651 10 0 CFAEMP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453169 519727949 /nfs/dbraw/zinc/72/79/49/519727949.db2.gz UWICYKZTMMCBCC-ZDUSSCGKSA-N 2 1 268.426 2.715 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)OCC[C@H]1CCC[N@H+]1C ZINC000052673561 519743684 /nfs/dbraw/zinc/74/36/84/519743684.db2.gz DLFSPCSFAOZIAJ-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507545 519743706 /nfs/dbraw/zinc/74/37/06/519743706.db2.gz LCIIOURGFUYDFV-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052452986 519745579 /nfs/dbraw/zinc/74/55/79/519745579.db2.gz XOCWCZCMRVVTMI-ZIAGYGMSSA-N 2 1 258.475 2.694 10 0 CFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)[C@@H]1CCSC1 ZINC000052452986 519745580 /nfs/dbraw/zinc/74/55/80/519745580.db2.gz XOCWCZCMRVVTMI-ZIAGYGMSSA-N 2 1 258.475 2.694 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453663 519748750 /nfs/dbraw/zinc/74/87/50/519748750.db2.gz ZONOLMTXQXFJMB-CQSZACIVSA-N 2 1 282.453 2.963 10 0 CFAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453665 519749486 /nfs/dbraw/zinc/74/94/86/519749486.db2.gz ZONOLMTXQXFJMB-AWEZNQCLSA-N 2 1 282.453 2.963 10 0 CFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCSC ZINC000069444450 519908065 /nfs/dbraw/zinc/90/80/65/519908065.db2.gz BNDQELOVDBZWLV-AGUYFDCRSA-N 2 1 256.459 2.735 10 0 CFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628534 519908655 /nfs/dbraw/zinc/90/86/55/519908655.db2.gz FONJUXSUUOMGOB-BMRXWSCTSA-N 2 1 266.429 2.549 10 0 CFAEMP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418955 519928351 /nfs/dbraw/zinc/92/83/51/519928351.db2.gz WCXZSNQHCMHIPW-INIZCTEOSA-N 2 1 275.440 2.505 10 0 CFAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccoc2C)O1 ZINC000052346607 519936756 /nfs/dbraw/zinc/93/67/56/519936756.db2.gz VTNIICPJGXIROE-CVEARBPZSA-N 2 1 280.412 2.567 10 0 CFAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)CCOC)c(C)o1 ZINC000052542795 519945861 /nfs/dbraw/zinc/94/58/61/519945861.db2.gz NGYISBMVOBAJEP-UHFFFAOYSA-N 2 1 268.401 2.556 10 0 CFAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482117 519954236 /nfs/dbraw/zinc/95/42/36/519954236.db2.gz CDNSLTGNFHNLTI-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000052453544 519996820 /nfs/dbraw/zinc/99/68/20/519996820.db2.gz BBQZWUFHDXNPEK-HNNXBMFYSA-N 2 1 264.438 2.733 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239663 520033819 /nfs/dbraw/zinc/03/38/19/520033819.db2.gz GKOOQHFOUQMKRV-KRWDZBQOSA-N 2 1 298.471 2.820 10 0 CFAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OCC ZINC000069239663 520033824 /nfs/dbraw/zinc/03/38/24/520033824.db2.gz GKOOQHFOUQMKRV-KRWDZBQOSA-N 2 1 298.471 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052417974 520409953 /nfs/dbraw/zinc/40/99/53/520409953.db2.gz NTHIBNNUDDUDQI-UHFFFAOYSA-N 2 1 250.386 2.517 10 0 CFAEMP CC[NH+](CC)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000061815786 520719589 /nfs/dbraw/zinc/71/95/89/520719589.db2.gz AASVVYHSSCKNOO-OAHLLOKOSA-N 2 1 264.413 2.775 10 0 CFAEMP CC[N@@H+](CCCC[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000052510542 521004305 /nfs/dbraw/zinc/00/43/05/521004305.db2.gz IDVBHTPWCTTZDO-HNNXBMFYSA-N 2 1 256.434 2.513 10 0 CFAEMP CC[N@@H+](CCCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049313094 521038174 /nfs/dbraw/zinc/03/81/74/521038174.db2.gz PHAMHVHZYWEDJK-FUNVUKJBSA-N 2 1 294.361 2.560 10 0 CFAEMP CC[N@@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000051249562 521097376 /nfs/dbraw/zinc/09/73/76/521097376.db2.gz ZYWRAJHNKGTSRG-UHFFFAOYSA-N 2 1 270.461 2.639 10 0 CFAEMP CC[N@@H+](CCOc1cccc(C[NH2+]C)c1)C(C)C ZINC000052446812 521150158 /nfs/dbraw/zinc/15/01/58/521150158.db2.gz IFCKQEBJUJIEMQ-UHFFFAOYSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC(C)(C)[N@@H+](C)Cc1cc(C[NH3+])ccc1OC ZINC000069431315 521304339 /nfs/dbraw/zinc/30/43/39/521304339.db2.gz UHMCROZJEWEHCL-UHFFFAOYSA-N 2 1 250.386 2.774 10 0 CFAEMP CC[N@H+]1CCC[C@H](n2c(N)[nH+]c3cc(C)ccc32)C1 ZINC000049220634 521651380 /nfs/dbraw/zinc/65/13/80/521651380.db2.gz DLUVDSFWNBVAQB-LBPRGKRZSA-N 2 1 258.369 2.584 10 0 CFAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cccc(Cl)c2)CCOCC1 ZINC000052182514 521964641 /nfs/dbraw/zinc/96/46/41/521964641.db2.gz MTSCWLGXJFZRNY-UHFFFAOYSA-N 2 1 296.842 2.788 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481865 522100698 /nfs/dbraw/zinc/10/06/98/522100698.db2.gz FWQIOIFAPJMGFZ-UHFFFAOYSA-N 2 1 288.391 2.763 10 0 CFAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481865 522100709 /nfs/dbraw/zinc/10/07/09/522100709.db2.gz FWQIOIFAPJMGFZ-UHFFFAOYSA-N 2 1 288.391 2.763 10 0 CFAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CCCO1 ZINC000052541033 522729409 /nfs/dbraw/zinc/72/94/09/522729409.db2.gz ZNUWHYRFGBLKQL-AWEZNQCLSA-N 2 1 256.434 2.656 10 0 CFAEMP C[N@@H+](CCCC[NH2+]C1CC1)Cc1ccccc1F ZINC000052541344 522734952 /nfs/dbraw/zinc/73/49/52/522734952.db2.gz SCLHUZAEBXVKEJ-UHFFFAOYSA-N 2 1 250.361 2.790 10 0 CFAEMP CC[C@@H]1C[N@@H+](CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477307 523438039 /nfs/dbraw/zinc/43/80/39/523438039.db2.gz REKIYJGQKJXPRD-OAHLLOKOSA-N 2 1 256.434 2.513 10 0 CFAEMP CCn1cc[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC000050608290 523549973 /nfs/dbraw/zinc/54/99/73/523549973.db2.gz SMHIEMDTCQBWJZ-CYBMUJFWSA-N 2 1 250.390 2.579 10 0 CFAEMP COCC[N@@H+](C[C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545316 523729180 /nfs/dbraw/zinc/72/91/80/523729180.db2.gz SMKQNHPLCYPHKI-GJZGRUSLSA-N 2 1 270.461 2.615 10 0 CFAEMP COCC[N@@H+](Cc1cc(F)ccc1C[NH3+])[C@H](C)C1CC1 ZINC000069401443 523739316 /nfs/dbraw/zinc/73/93/16/523739316.db2.gz PUJPYRRAWHJLBU-GFCCVEGCSA-N 2 1 280.387 2.531 10 0 CFAEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(CC[NH3+])cc2)[C@@H]1C ZINC000050563602 524229983 /nfs/dbraw/zinc/22/99/83/524229983.db2.gz PCBVITIMLIIBLN-HUUCEWRRSA-N 2 1 276.424 2.687 10 0 CFAEMP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)c1 ZINC000062670310 524739682 /nfs/dbraw/zinc/73/96/82/524739682.db2.gz KDHJALYTAJYVQN-KRWDZBQOSA-N 2 1 276.424 2.694 10 0 CFAEMP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@H](C(C)C)C2)c1 ZINC000062670310 524739686 /nfs/dbraw/zinc/73/96/86/524739686.db2.gz KDHJALYTAJYVQN-KRWDZBQOSA-N 2 1 276.424 2.694 10 0 CFAEMP Cc1cc(C[NH2+]CCCC[N@H+](C)C(C)C)c(C)n1C ZINC000052790542 524756287 /nfs/dbraw/zinc/75/62/87/524756287.db2.gz FFDGSARWSTZIKQ-UHFFFAOYSA-N 2 1 265.445 2.852 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000049577407 525441500 /nfs/dbraw/zinc/44/15/00/525441500.db2.gz DRQVBMIZXDLIMW-WCQYABFASA-N 2 1 268.351 2.785 10 0 CFAEMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000049577407 525441508 /nfs/dbraw/zinc/44/15/08/525441508.db2.gz DRQVBMIZXDLIMW-WCQYABFASA-N 2 1 268.351 2.785 10 0 CFAEMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@](C)([NH3+])C2CC2)s1 ZINC000049538829 526745852 /nfs/dbraw/zinc/74/58/52/526745852.db2.gz NTIYMKCGLKLAGW-AMIZOPFISA-N 2 1 253.415 2.538 10 0 CFAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000052424666 526770160 /nfs/dbraw/zinc/77/01/60/526770160.db2.gz BAODNKWAVYCZRE-UHFFFAOYSA-N 2 1 258.365 2.987 10 0 CFAEMP [NH3+]Cc1coc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373105 527264388 /nfs/dbraw/zinc/26/43/88/527264388.db2.gz OBLSOGAMSUVOPR-HNNXBMFYSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+]Cc1ncccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061656635 527266040 /nfs/dbraw/zinc/26/60/40/527266040.db2.gz BXVBHYJLHHWNHO-ZIAGYGMSSA-N 2 1 259.397 2.552 10 0 CFAEMP Cc1[nH+]ccn1CCOc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000049331397 527432877 /nfs/dbraw/zinc/43/28/77/527432877.db2.gz NCXLOWARXMTXEX-NSHDSACASA-N 2 1 293.798 2.814 10 0 CFAEMP C[C@H]1CC(C)(C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757148113 617824409 /nfs/dbraw/zinc/82/44/09/617824409.db2.gz MOGPVOHPVKLJSU-NSHDSACASA-N 2 1 254.418 2.800 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]12 ZINC000261621032 619178929 /nfs/dbraw/zinc/17/89/29/619178929.db2.gz UUTKRDGQVKBBPZ-HZSPNIEDSA-N 2 1 266.335 2.793 10 0 CFAEMP [NH3+][C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000041030145 620426670 /nfs/dbraw/zinc/42/66/70/620426670.db2.gz ZVGNGLUIAPOPDP-NSHDSACASA-N 2 1 261.756 2.816 10 0 CFAEMP CC[NH2+]Cc1sc(N2CC[NH+](CC)CC2)nc1C(C)C ZINC000082434910 178012476 /nfs/dbraw/zinc/01/24/76/178012476.db2.gz TXLNWSAYHREBOO-UHFFFAOYSA-N 2 1 296.484 2.518 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000118860291 347798921 /nfs/dbraw/zinc/79/89/21/347798921.db2.gz LRNYVLXFLNVAFC-MRVWCRGKSA-N 2 1 284.325 2.875 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000118860291 347798923 /nfs/dbraw/zinc/79/89/23/347798923.db2.gz LRNYVLXFLNVAFC-MRVWCRGKSA-N 2 1 284.325 2.875 10 0 CFAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000086817418 179345249 /nfs/dbraw/zinc/34/52/49/179345249.db2.gz PVYOORFHYCNGMN-OAHLLOKOSA-N 2 1 268.445 2.800 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817135 179345409 /nfs/dbraw/zinc/34/54/09/179345409.db2.gz ZRCFZQUEITZPBG-CVEARBPZSA-N 3 1 269.477 2.571 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817135 179345411 /nfs/dbraw/zinc/34/54/11/179345411.db2.gz ZRCFZQUEITZPBG-CVEARBPZSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848393 179356367 /nfs/dbraw/zinc/35/63/67/179356367.db2.gz KRAZHLLKFDMGAI-KRWDZBQOSA-N 2 1 293.430 2.855 10 0 CFAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000086836373 179352204 /nfs/dbraw/zinc/35/22/04/179352204.db2.gz GTOXOFMFZGFXFM-GOEBONIOSA-N 2 1 261.413 2.995 10 0 CFAEMP CCCN(CCC)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846499 179354907 /nfs/dbraw/zinc/35/49/07/179354907.db2.gz NTKAMNVPWLJMJT-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+](CCC)[C@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086846499 179354909 /nfs/dbraw/zinc/35/49/09/179354909.db2.gz NTKAMNVPWLJMJT-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP CCC[NH+](CCC)[C@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086846499 179354911 /nfs/dbraw/zinc/35/49/11/179354911.db2.gz NTKAMNVPWLJMJT-MRXNPFEDSA-N 2 1 269.477 2.700 10 0 CFAEMP C[N@@H+](Cc1nc2ccccc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328635654 348441699 /nfs/dbraw/zinc/44/16/99/348441699.db2.gz NNQYTOYXRGJKLD-ZDUSSCGKSA-N 2 1 296.374 2.719 10 0 CFAEMP C[N@H+](Cc1nc2ccccc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328635654 348441703 /nfs/dbraw/zinc/44/17/03/348441703.db2.gz NNQYTOYXRGJKLD-ZDUSSCGKSA-N 2 1 296.374 2.719 10 0 CFAEMP CCC[NH2+][C@@H](C)C1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000104410275 185991405 /nfs/dbraw/zinc/99/14/05/185991405.db2.gz DFKMNJHSKQSSJG-AWEZNQCLSA-N 2 1 261.413 2.995 10 0 CFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCCC1 ZINC000104447809 186005643 /nfs/dbraw/zinc/00/56/43/186005643.db2.gz KMPOETWKHZYJTP-GOOCMWNKSA-N 2 1 266.429 2.551 10 0 CFAEMP Cc1ncsc1C[N@@H+](C)CCC[C@@H]1CCCC[NH2+]1 ZINC000104443323 186003818 /nfs/dbraw/zinc/00/38/18/186003818.db2.gz IXCDXJRDWDQZDB-ZDUSSCGKSA-N 2 1 267.442 2.806 10 0 CFAEMP Fc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172068776 283008727 /nfs/dbraw/zinc/00/87/27/283008727.db2.gz FFLRLZCKTFUXAH-CYBMUJFWSA-N 2 1 271.339 2.658 10 0 CFAEMP Fc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172068776 283008730 /nfs/dbraw/zinc/00/87/30/283008730.db2.gz FFLRLZCKTFUXAH-CYBMUJFWSA-N 2 1 271.339 2.658 10 0 CFAEMP Fc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246991157 283008766 /nfs/dbraw/zinc/00/87/66/283008766.db2.gz FFLRLZCKTFUXAH-ZDUSSCGKSA-N 2 1 271.339 2.658 10 0 CFAEMP Fc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCC[C@H]2C1 ZINC000246991157 283008767 /nfs/dbraw/zinc/00/87/67/283008767.db2.gz FFLRLZCKTFUXAH-ZDUSSCGKSA-N 2 1 271.339 2.658 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837094 355599941 /nfs/dbraw/zinc/59/99/41/355599941.db2.gz MUBWVVQDILZCTJ-JQWIXIFHSA-N 2 1 288.313 2.612 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840524 355602699 /nfs/dbraw/zinc/60/26/99/355602699.db2.gz SYTUZBMIRYQPOU-NJZAAPMLSA-N 2 1 250.361 2.803 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839507 355602805 /nfs/dbraw/zinc/60/28/05/355602805.db2.gz HETDCHBCPNKLHM-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839507 355602810 /nfs/dbraw/zinc/60/28/10/355602810.db2.gz HETDCHBCPNKLHM-MXWKQRLJSA-N 2 1 254.324 2.552 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631839518 355602939 /nfs/dbraw/zinc/60/29/39/355602939.db2.gz HHCCPKGTIWALGN-BBRMVZONSA-N 2 1 254.377 2.866 10 0 CFAEMP C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631843344 355603986 /nfs/dbraw/zinc/60/39/86/355603986.db2.gz MNHCLYBJFRFYMV-JQWIXIFHSA-N 2 1 272.314 2.732 10 0 CFAEMP C[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631843344 355603988 /nfs/dbraw/zinc/60/39/88/355603988.db2.gz MNHCLYBJFRFYMV-JQWIXIFHSA-N 2 1 272.314 2.732 10 0 CFAEMP Cc1ncsc1CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178331719 189107417 /nfs/dbraw/zinc/10/74/17/189107417.db2.gz OGJQBZZPZIXYCM-AWEZNQCLSA-N 2 1 290.436 2.664 10 0 CFAEMP Cc1ncsc1CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178331719 189107418 /nfs/dbraw/zinc/10/74/18/189107418.db2.gz OGJQBZZPZIXYCM-AWEZNQCLSA-N 2 1 290.436 2.664 10 0 CFAEMP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000180123909 189237791 /nfs/dbraw/zinc/23/77/91/189237791.db2.gz VBHACGKGXCINMT-CQSZACIVSA-N 2 1 259.353 2.758 10 0 CFAEMP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000180123909 189237792 /nfs/dbraw/zinc/23/77/92/189237792.db2.gz VBHACGKGXCINMT-CQSZACIVSA-N 2 1 259.353 2.758 10 0 CFAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230385 189244889 /nfs/dbraw/zinc/24/48/89/189244889.db2.gz CTANBIMKIQBPBV-HUUCEWRRSA-N 2 1 276.424 2.682 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000180532887 189260760 /nfs/dbraw/zinc/26/07/60/189260760.db2.gz FYISUHLQUUFBBB-HNNXBMFYSA-N 2 1 270.380 2.560 10 0 CFAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncccc1C ZINC000180532887 189260761 /nfs/dbraw/zinc/26/07/61/189260761.db2.gz FYISUHLQUUFBBB-HNNXBMFYSA-N 2 1 270.380 2.560 10 0 CFAEMP COc1cccc2c(N3C[C@H](C)[C@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000301683724 201136210 /nfs/dbraw/zinc/13/62/10/201136210.db2.gz SVDUVBMSIBRZQE-BLLLJJGKSA-N 2 1 299.418 2.938 10 0 CFAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cc3ccccc3o1)C2 ZINC000275362980 193010350 /nfs/dbraw/zinc/01/03/50/193010350.db2.gz BGWHJXCTPGTUFT-CYBMUJFWSA-N 2 1 281.359 2.982 10 0 CFAEMP Cc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000275509431 193062731 /nfs/dbraw/zinc/06/27/31/193062731.db2.gz KEQBTYTYBDBMNV-GFCCVEGCSA-N 2 1 261.394 2.605 10 0 CFAEMP CCC[NH+]1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000020189995 372235314 /nfs/dbraw/zinc/23/53/14/372235314.db2.gz HGSCDIWPUMFZGS-INIZCTEOSA-N 2 1 274.408 2.974 10 0 CFAEMP C[NH2+]CCC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272656 375349289 /nfs/dbraw/zinc/34/92/89/375349289.db2.gz UTOLWTMMHUJTFD-UHFFFAOYSA-N 2 1 253.777 2.561 10 0 CFAEMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000111824642 375872140 /nfs/dbraw/zinc/87/21/40/375872140.db2.gz WNUKTNOZGZALMK-AWEZNQCLSA-N 2 1 252.789 2.914 10 0 CFAEMP COCCCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000116878253 376211748 /nfs/dbraw/zinc/21/17/48/376211748.db2.gz RMCPNNQAIPMKGB-MRXNPFEDSA-N 2 1 291.439 2.941 10 0 CFAEMP COCCCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000116878253 376211755 /nfs/dbraw/zinc/21/17/55/376211755.db2.gz RMCPNNQAIPMKGB-MRXNPFEDSA-N 2 1 291.439 2.941 10 0 CFAEMP COCCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876734 376264307 /nfs/dbraw/zinc/26/43/07/376264307.db2.gz ZWDKRAYBUVTCDY-OAHLLOKOSA-N 2 1 277.412 2.550 10 0 CFAEMP COCCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876734 376264313 /nfs/dbraw/zinc/26/43/13/376264313.db2.gz ZWDKRAYBUVTCDY-OAHLLOKOSA-N 2 1 277.412 2.550 10 0 CFAEMP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)n1 ZINC000129815979 377476812 /nfs/dbraw/zinc/47/68/12/377476812.db2.gz NAUGIOLJBSXURW-FZMZJTMJSA-N 2 1 274.412 2.803 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)[nH+]1 ZINC000189367663 382599126 /nfs/dbraw/zinc/59/91/26/382599126.db2.gz XEFPSNNMUMOWBB-HOTGVXAUSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)[nH+]1 ZINC000189367663 382599129 /nfs/dbraw/zinc/59/91/29/382599129.db2.gz XEFPSNNMUMOWBB-HOTGVXAUSA-N 2 1 289.423 2.693 10 0 CFAEMP C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000231457132 382864820 /nfs/dbraw/zinc/86/48/20/382864820.db2.gz QNSGAQQEDCXOCE-MRXNPFEDSA-N 2 1 269.392 2.809 10 0 CFAEMP C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231457418 382865146 /nfs/dbraw/zinc/86/51/46/382865146.db2.gz NUWLTLFOGLFDOE-GFCCVEGCSA-N 2 1 254.324 2.539 10 0 CFAEMP C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231457418 382865148 /nfs/dbraw/zinc/86/51/48/382865148.db2.gz NUWLTLFOGLFDOE-GFCCVEGCSA-N 2 1 254.324 2.539 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]12 ZINC000261545322 383509042 /nfs/dbraw/zinc/50/90/42/383509042.db2.gz FYAQAWHDPJYGIX-KWCYVHTRSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]12 ZINC000261545322 383509045 /nfs/dbraw/zinc/50/90/45/383509045.db2.gz FYAQAWHDPJYGIX-KWCYVHTRSA-N 2 1 295.224 2.618 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000261564231 383513767 /nfs/dbraw/zinc/51/37/67/383513767.db2.gz XPJIIQSQVFEVIC-IACUBPJLSA-N 2 1 250.773 2.509 10 0 CFAEMP CC1(C)CCC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000261572605 383515908 /nfs/dbraw/zinc/51/59/08/383515908.db2.gz LTRNMQZJEVOZTJ-ZNMIVQPWSA-N 2 1 250.430 2.872 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]12 ZINC000261578233 383517694 /nfs/dbraw/zinc/51/76/94/383517694.db2.gz LPHDQCLFNCIYDQ-KPXOXKRLSA-N 2 1 256.802 2.571 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@H]12 ZINC000261578233 383517700 /nfs/dbraw/zinc/51/77/00/383517700.db2.gz LPHDQCLFNCIYDQ-KPXOXKRLSA-N 2 1 256.802 2.571 10 0 CFAEMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596569 383525761 /nfs/dbraw/zinc/52/57/61/383525761.db2.gz AHXZXNSLRMDYCD-BBWFWOEESA-N 2 1 281.403 2.712 10 0 CFAEMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261882653 383575180 /nfs/dbraw/zinc/57/51/80/383575180.db2.gz FMKYQNFVGURNJZ-JJTUDDRGSA-N 2 1 280.456 2.559 10 0 CFAEMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261986729 383590905 /nfs/dbraw/zinc/59/09/05/383590905.db2.gz RYHGZALTICIBRI-JGGQBBKZSA-N 2 1 262.372 2.557 10 0 CFAEMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034509 383597548 /nfs/dbraw/zinc/59/75/48/383597548.db2.gz OKNWPXKSTDQONM-BZUAXINKSA-N 2 1 280.456 2.656 10 0 CFAEMP Cc1cccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038262 383598879 /nfs/dbraw/zinc/59/88/79/383598879.db2.gz XYUKRGVUQBYGQQ-DOTOQJQBSA-N 2 1 258.409 2.784 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)C[C@H]12 ZINC000262098270 383604942 /nfs/dbraw/zinc/60/49/42/383604942.db2.gz IIKRESXXQFIFFA-SCDSUCTJSA-N 2 1 298.789 2.527 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@H]12 ZINC000262098270 383604946 /nfs/dbraw/zinc/60/49/46/383604946.db2.gz IIKRESXXQFIFFA-SCDSUCTJSA-N 2 1 298.789 2.527 10 0 CFAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261823070 383565982 /nfs/dbraw/zinc/56/59/82/383565982.db2.gz IMVQFGJUGJGYDQ-IHRRRGAJSA-N 2 1 287.432 2.774 10 0 CFAEMP C[C@H]([NH2+]Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000571194037 383673270 /nfs/dbraw/zinc/67/32/70/383673270.db2.gz NUKKDZGXJNJUNJ-NWDGAFQWSA-N 2 1 284.350 2.766 10 0 CFAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222813 397539561 /nfs/dbraw/zinc/53/95/61/397539561.db2.gz WYBLVYSWJKIGBF-DJIMGWMZSA-N 2 1 256.393 2.733 10 0 CFAEMP C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152268 171359802 /nfs/dbraw/zinc/35/98/02/171359802.db2.gz WTFBONZDUCITTC-AWEZNQCLSA-N 2 1 289.423 2.738 10 0 CFAEMP Nc1ccc2[nH]c(CC[NH+]3CCCCCC3)[nH+]c2c1 ZINC000035659115 172334269 /nfs/dbraw/zinc/33/42/69/172334269.db2.gz IVHCDZQTOVWRCN-UHFFFAOYSA-N 2 1 258.369 2.564 10 0 CFAEMP C[N@@H+](Cc1ccsc1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000035719299 172373915 /nfs/dbraw/zinc/37/39/15/172373915.db2.gz SADHBORNXCDJKK-UHFFFAOYSA-N 2 1 259.378 2.664 10 0 CFAEMP CCC[N@@H+](CCOc1ccc(C[NH3+])cc1)C(C)C ZINC000037095633 172950042 /nfs/dbraw/zinc/95/00/42/172950042.db2.gz CTYYUJDTJZVUMR-UHFFFAOYSA-N 2 1 250.386 2.645 10 0 CFAEMP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000037221931 173042602 /nfs/dbraw/zinc/04/26/02/173042602.db2.gz NVFKUCIVSKYEOY-JSGCOSHPSA-N 2 1 250.361 2.646 10 0 CFAEMP Cc1cc[nH+]c(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656608286 414615608 /nfs/dbraw/zinc/61/56/08/414615608.db2.gz IPZPUCVUGZICJF-OAHLLOKOSA-N 2 1 259.397 2.606 10 0 CFAEMP C[C@@H]([NH3+])c1c(F)cccc1OCC[C@H]1CCC[N@H+]1C ZINC000040240645 174213721 /nfs/dbraw/zinc/21/37/21/174213721.db2.gz UJYRQFVQOUPGEW-VXGBXAGGSA-N 2 1 266.360 2.709 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000040502620 174298773 /nfs/dbraw/zinc/29/87/73/174298773.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000040502620 174298774 /nfs/dbraw/zinc/29/87/74/174298774.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000040502620 174298776 /nfs/dbraw/zinc/29/87/76/174298776.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000040502620 174298777 /nfs/dbraw/zinc/29/87/77/174298777.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000040502620 174298778 /nfs/dbraw/zinc/29/87/78/174298778.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 1 281.488 2.571 10 0 CFAEMP CC[N@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747538 174392861 /nfs/dbraw/zinc/39/28/61/174392861.db2.gz KFDOYMSJMTXWNO-YIONKMFJSA-N 2 1 262.372 2.931 10 0 CFAEMP CC[N@@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747538 174392863 /nfs/dbraw/zinc/39/28/63/174392863.db2.gz KFDOYMSJMTXWNO-YIONKMFJSA-N 2 1 262.372 2.931 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC000040749398 174393653 /nfs/dbraw/zinc/39/36/53/174393653.db2.gz VYBOTNULBYALAD-AGUYFDCRSA-N 2 1 250.773 2.794 10 0 CFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC000040749398 174393655 /nfs/dbraw/zinc/39/36/55/174393655.db2.gz VYBOTNULBYALAD-AGUYFDCRSA-N 2 1 250.773 2.794 10 0 CFAEMP CC(C)CC[N@@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000042456398 174747847 /nfs/dbraw/zinc/74/78/47/174747847.db2.gz AUVVILZBOMJEPQ-UHFFFAOYSA-N 2 1 250.386 2.502 10 0 CFAEMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326315 175007671 /nfs/dbraw/zinc/00/76/71/175007671.db2.gz IQCOCKJJEIALAR-SMDDNHRTSA-N 2 1 252.789 2.613 10 0 CFAEMP CCC(CC)[N@@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592078 175074270 /nfs/dbraw/zinc/07/42/70/175074270.db2.gz FBIZWSJWKQGBTO-HNNXBMFYSA-N 2 1 270.461 2.903 10 0 CFAEMP C[NH2+][C@H](CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000043817793 175113024 /nfs/dbraw/zinc/11/30/24/175113024.db2.gz DWGAFIZHIJAQHF-IAGOWNOFSA-N 2 1 289.467 2.609 10 0 CFAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)CC)c1 ZINC000043820715 175113785 /nfs/dbraw/zinc/11/37/85/175113785.db2.gz PVQIQXJCDMYSPP-LBPRGKRZSA-N 2 1 250.386 2.817 10 0 CFAEMP CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818546 175113995 /nfs/dbraw/zinc/11/39/95/175113995.db2.gz WEGZFIPYUREHOL-DLBZAZTESA-N 2 1 281.488 2.715 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888995 175117352 /nfs/dbraw/zinc/11/73/52/175117352.db2.gz VQZHMAUTSGPQDZ-ARFHVFGLSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890363 175118172 /nfs/dbraw/zinc/11/81/72/175118172.db2.gz OJNUXTQWDCSFNK-JKSUJKDBSA-N 2 1 268.445 2.798 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043901863 175121942 /nfs/dbraw/zinc/12/19/42/175121942.db2.gz IKAJHVUJMFLXEB-IRXDYDNUSA-N 2 1 275.440 2.867 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901863 175121943 /nfs/dbraw/zinc/12/19/43/175121943.db2.gz IKAJHVUJMFLXEB-IRXDYDNUSA-N 2 1 275.440 2.867 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904891 175122327 /nfs/dbraw/zinc/12/23/27/175122327.db2.gz VCSJXSGLFIJAGM-XHSDSOJGSA-N 2 1 296.455 2.525 10 0 CFAEMP CCC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043916543 175125601 /nfs/dbraw/zinc/12/56/01/175125601.db2.gz JKMKHBCEMDMJLK-CQSZACIVSA-N 2 1 294.439 2.834 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966842 175128093 /nfs/dbraw/zinc/12/80/93/175128093.db2.gz MRJAIDCDVKGJAT-UGUYLWEFSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966842 175128094 /nfs/dbraw/zinc/12/80/94/175128094.db2.gz MRJAIDCDVKGJAT-UGUYLWEFSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC)CC(CC)CC ZINC000043967099 175128488 /nfs/dbraw/zinc/12/84/88/175128488.db2.gz LRQNFXOWFAQAAM-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC)CC(CC)CC ZINC000043967099 175128490 /nfs/dbraw/zinc/12/84/90/175128490.db2.gz LRQNFXOWFAQAAM-LSDHHAIUSA-N 2 1 256.434 2.512 10 0 CFAEMP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](CC)CCOC)c1 ZINC000043968724 175129416 /nfs/dbraw/zinc/12/94/16/175129416.db2.gz QKJRJIXFQGLZCQ-CQSZACIVSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@H](CC)[N@H+](C)[C@@H](C)COC ZINC000043969511 175130400 /nfs/dbraw/zinc/13/04/00/175130400.db2.gz KESOEYXWDLYYEV-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP CCC[NH2+][C@@H](CCC)[C@H](CC)[N@@H+](C)[C@@H](C)COC ZINC000043969511 175130402 /nfs/dbraw/zinc/13/04/02/175130402.db2.gz KESOEYXWDLYYEV-KKUMJFAQSA-N 2 1 258.450 2.900 10 0 CFAEMP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970238 175131071 /nfs/dbraw/zinc/13/10/71/175131071.db2.gz GYIJAQUTEGBFMJ-JKSUJKDBSA-N 2 1 270.461 2.902 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970495 175131561 /nfs/dbraw/zinc/13/15/61/175131561.db2.gz WVBLLOTYGONOEX-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970495 175131563 /nfs/dbraw/zinc/13/15/63/175131563.db2.gz WVBLLOTYGONOEX-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970763 175131983 /nfs/dbraw/zinc/13/19/83/175131983.db2.gz WROUVLHGFWRPGH-NXHRZFHOSA-N 3 1 295.515 2.817 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977857 175133600 /nfs/dbraw/zinc/13/36/00/175133600.db2.gz DUDWJTISWMKLBE-SQWLQELKSA-N 2 1 270.461 2.900 10 0 CFAEMP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977857 175133601 /nfs/dbraw/zinc/13/36/01/175133601.db2.gz DUDWJTISWMKLBE-SQWLQELKSA-N 2 1 270.461 2.900 10 0 CFAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977715 175133770 /nfs/dbraw/zinc/13/37/70/175133770.db2.gz OYNYBYIIZVYJJK-IMJJTQAJSA-N 2 1 268.445 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981320 175134044 /nfs/dbraw/zinc/13/40/44/175134044.db2.gz GUYRUDOBZJDHOF-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981320 175134046 /nfs/dbraw/zinc/13/40/46/175134046.db2.gz GUYRUDOBZJDHOF-RRFJBIMHSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(C)cc2C)CC1 ZINC000044172653 175149619 /nfs/dbraw/zinc/14/96/19/175149619.db2.gz SDEXZHIRYHPMHS-GOSISDBHSA-N 2 1 290.451 2.753 10 0 CFAEMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(C)cc2C)CC1 ZINC000044172653 175149621 /nfs/dbraw/zinc/14/96/21/175149621.db2.gz SDEXZHIRYHPMHS-GOSISDBHSA-N 2 1 290.451 2.753 10 0 CFAEMP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540289 175200968 /nfs/dbraw/zinc/20/09/68/175200968.db2.gz DSTSOJMMQKMAFU-RHSMWYFYSA-N 2 1 274.408 2.886 10 0 CFAEMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540289 175200970 /nfs/dbraw/zinc/20/09/70/175200970.db2.gz DSTSOJMMQKMAFU-RHSMWYFYSA-N 2 1 274.408 2.886 10 0 CFAEMP C[NH2+][C@@H]1CCCc2cc(OCCn3cc[nH+]c3C)ccc21 ZINC000044745070 175241460 /nfs/dbraw/zinc/24/14/60/175241460.db2.gz OAUNEJVVWUSIBR-QGZVFWFLSA-N 2 1 285.391 2.867 10 0 CFAEMP Cc1ccc2c(c1)[nH+]c(N)n2C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045136020 175313596 /nfs/dbraw/zinc/31/35/96/175313596.db2.gz MCIJDSMNFMMFED-ZDUSSCGKSA-N 2 1 272.396 2.657 10 0 CFAEMP CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1C ZINC000045167178 175319210 /nfs/dbraw/zinc/31/92/10/175319210.db2.gz RNDPVFKNGHMQJZ-LBPRGKRZSA-N 2 1 280.460 2.758 10 0 CFAEMP CCCC[NH+](CCCC)CC[C@](C)([NH2+]CCC)C(N)=O ZINC000045263347 175337448 /nfs/dbraw/zinc/33/74/48/175337448.db2.gz IQDBBTIXCDLJMC-INIZCTEOSA-N 2 1 285.476 2.522 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381444 175369914 /nfs/dbraw/zinc/36/99/14/175369914.db2.gz LDSAQUFFNYJGSX-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381444 175369916 /nfs/dbraw/zinc/36/99/16/175369916.db2.gz LDSAQUFFNYJGSX-GOEBONIOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)CC(C)C)[NH2+]C ZINC000045381689 175369965 /nfs/dbraw/zinc/36/99/65/175369965.db2.gz MSYQNUZCKNQEOZ-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)CC(C)C)[NH2+]C ZINC000045381689 175369967 /nfs/dbraw/zinc/36/99/67/175369967.db2.gz MSYQNUZCKNQEOZ-MRXNPFEDSA-N 2 1 286.460 2.676 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)CC)[NH2+]C(C)C ZINC000045381461 175370176 /nfs/dbraw/zinc/37/01/76/175370176.db2.gz LQJKTXUMFDHRCV-HOCLYGCPSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)[NH2+]C(C)C ZINC000045381461 175370177 /nfs/dbraw/zinc/37/01/77/175370177.db2.gz LQJKTXUMFDHRCV-HOCLYGCPSA-N 2 1 286.460 2.817 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045384694 175372205 /nfs/dbraw/zinc/37/22/05/175372205.db2.gz OHBHGKCOCLFDKC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384694 175372206 /nfs/dbraw/zinc/37/22/06/175372206.db2.gz OHBHGKCOCLFDKC-KRWDZBQOSA-N 2 1 298.471 2.962 10 0 CFAEMP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045386914 175372582 /nfs/dbraw/zinc/37/25/82/175372582.db2.gz BOGGXHOOFQUSOX-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045386914 175372583 /nfs/dbraw/zinc/37/25/83/175372583.db2.gz BOGGXHOOFQUSOX-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@H+](CC)CCC)C(=O)OC ZINC000045386929 175373321 /nfs/dbraw/zinc/37/33/21/175373321.db2.gz YRMOOCFWKBWEIW-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CCC)C(=O)OC ZINC000045386929 175373322 /nfs/dbraw/zinc/37/33/22/175373322.db2.gz YRMOOCFWKBWEIW-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP C[NH2+][C@@](C)(CCC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045420415 175378510 /nfs/dbraw/zinc/37/85/10/175378510.db2.gz LDCHZGIZRCVCGG-INIZCTEOSA-N 2 1 286.460 2.532 10 0 CFAEMP CCCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045421770 175380390 /nfs/dbraw/zinc/38/03/90/175380390.db2.gz OKAODZJUKMMYKC-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CCCC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045421770 175380391 /nfs/dbraw/zinc/38/03/91/175380391.db2.gz OKAODZJUKMMYKC-MRXNPFEDSA-N 2 1 284.444 2.572 10 0 CFAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ncccc2C)C1 ZINC000071339616 176130009 /nfs/dbraw/zinc/13/00/09/176130009.db2.gz LYFIBLYHLNNCCS-HUUCEWRRSA-N 2 1 261.413 2.600 10 0 CFAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ncccc2C)C1 ZINC000071339616 176130010 /nfs/dbraw/zinc/13/00/10/176130010.db2.gz LYFIBLYHLNNCCS-HUUCEWRRSA-N 2 1 261.413 2.600 10 0 CFAEMP C[N@@H+](CCn1ccc2c1CCC[C@H]2[NH3+])C1CCCC1 ZINC000071379203 176143751 /nfs/dbraw/zinc/14/37/51/176143751.db2.gz SHATUJBOZQBLLG-OAHLLOKOSA-N 2 1 261.413 2.699 10 0 CFAEMP CC1(C)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000076697545 177061006 /nfs/dbraw/zinc/06/10/06/177061006.db2.gz IIYDMQNCWMPTCT-JKSUJKDBSA-N 2 1 258.409 2.897 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)[nH+]1 ZINC000195516097 281245173 /nfs/dbraw/zinc/24/51/73/281245173.db2.gz BIVRZMIAHQQNAO-HOTGVXAUSA-N 2 1 289.423 2.693 10 0 CFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)[nH+]1 ZINC000195516097 281245174 /nfs/dbraw/zinc/24/51/74/281245174.db2.gz BIVRZMIAHQQNAO-HOTGVXAUSA-N 2 1 289.423 2.693 10 0 CFAEMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000034995662 289887497 /nfs/dbraw/zinc/88/74/97/289887497.db2.gz LGDOCYWLQZJMQE-JGGQBBKZSA-N 2 1 250.430 2.885 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312011328 290217265 /nfs/dbraw/zinc/21/72/65/290217265.db2.gz RXMDGQHFRZFHKM-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312011328 290217267 /nfs/dbraw/zinc/21/72/67/290217267.db2.gz RXMDGQHFRZFHKM-UEKVPHQBSA-N 2 1 268.351 2.943 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481863 519743592 /nfs/dbraw/zinc/74/35/92/519743592.db2.gz XJVQAVZABNIFCQ-CQSZACIVSA-N 2 1 256.434 2.512 10 0 CFAEMP CC(C)C[NH2+]CCC[C@H](C)OCC[C@@H]1CCC[N@H+]1C ZINC000052673558 519743632 /nfs/dbraw/zinc/74/36/32/519743632.db2.gz DLFSPCSFAOZIAJ-HOTGVXAUSA-N 2 1 270.461 2.902 10 0 CFAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052541019 519743768 /nfs/dbraw/zinc/74/37/68/519743768.db2.gz NKSRZCXSRAXBGK-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181779 519909393 /nfs/dbraw/zinc/90/93/93/519909393.db2.gz ODDXJOCXBWKQGD-AWEZNQCLSA-N 2 1 268.445 2.513 10 0 CFAEMP CCOCC[N@@H+](CC)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069375046 519909532 /nfs/dbraw/zinc/90/95/32/519909532.db2.gz JBBDKBQBOXATSK-UHFFFAOYSA-N 2 1 296.377 2.795 10 0 CFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000052381594 519987417 /nfs/dbraw/zinc/98/74/17/519987417.db2.gz DINQQJOAXDMRBU-LBPRGKRZSA-N 2 1 250.386 2.929 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000052373170 520021205 /nfs/dbraw/zinc/02/12/05/520021205.db2.gz GIHUHCNGLLLMKU-RYUDHWBXSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000052373170 520021217 /nfs/dbraw/zinc/02/12/17/520021217.db2.gz GIHUHCNGLLLMKU-RYUDHWBXSA-N 2 1 267.442 2.873 10 0 CFAEMP CC[NH2+]Cc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000052420416 520019721 /nfs/dbraw/zinc/01/97/21/520019721.db2.gz BTAFSDSULFFCGB-VXGBXAGGSA-N 2 1 267.442 2.731 10 0 CFAEMP CC[NH2+][C@H](C)CCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055065113 520172544 /nfs/dbraw/zinc/17/25/44/520172544.db2.gz XGYIKMDZDIQRGT-CVEARBPZSA-N 2 1 269.477 2.571 10 0 CFAEMP CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429336 521307873 /nfs/dbraw/zinc/30/78/73/521307873.db2.gz XJYUNXMFKMZHQG-GFCCVEGCSA-N 2 1 277.412 2.593 10 0 CFAEMP CCC[N@@H+](CC)CCOc1ccccc1C[NH2+]CC ZINC000052448344 521612159 /nfs/dbraw/zinc/61/21/59/521612159.db2.gz FWGZCXOZIUDGAD-UHFFFAOYSA-N 2 1 264.413 2.907 10 0 CFAEMP CC[C@@H](C)[N@@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181387 522083578 /nfs/dbraw/zinc/08/35/78/522083578.db2.gz YGOBMUMDNJDKKG-CQSZACIVSA-N 2 1 268.445 2.656 10 0 CFAEMP Brc1c[nH+]ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000159901127 518233598 /nfs/dbraw/zinc/23/35/98/518233598.db2.gz WQXYZPMVKIYBEU-SNVBAGLBSA-N 2 1 284.201 2.646 10 0 CFAEMP CC(C)=CC[NH+]1CCC(N[C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049198765 519427221 /nfs/dbraw/zinc/42/72/21/519427221.db2.gz LYGAZUAUCOOVHU-QGZVFWFLSA-N 2 1 281.488 2.593 10 0 CFAEMP CC(C)[N@@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197819 519640249 /nfs/dbraw/zinc/64/02/49/519640249.db2.gz GVLPEMPAFPZIDB-UHFFFAOYSA-N 2 1 280.456 2.656 10 0 CFAEMP CC(C)CC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052545863 519650956 /nfs/dbraw/zinc/65/09/56/519650956.db2.gz UYJKBVAURNKEPY-UHFFFAOYSA-N 2 1 267.417 2.898 10 0 CFAEMP CC(C)CCOCC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000049265501 519668746 /nfs/dbraw/zinc/66/87/46/519668746.db2.gz YSHLRMBZPLJBOM-INIZCTEOSA-N 2 1 270.461 2.903 10 0 CFAEMP CC(C)C[N@@H+](CCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052503257 519715270 /nfs/dbraw/zinc/71/52/70/519715270.db2.gz MTIPPCVNUSKTNL-UHFFFAOYSA-N 2 1 271.493 2.674 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417536 519723364 /nfs/dbraw/zinc/72/33/64/519723364.db2.gz JOZHCYANTIQTLO-IRXDYDNUSA-N 2 1 276.424 2.664 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC(C)(C)C)O1 ZINC000052570188 519723525 /nfs/dbraw/zinc/72/35/25/519723525.db2.gz VBDWELGMNCYRHL-KBPBESRZSA-N 2 1 256.434 2.510 10 0 CFAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425391 519723931 /nfs/dbraw/zinc/72/39/31/519723931.db2.gz AWDBFYPZWCQUCP-DLBZAZTESA-N 2 1 294.414 2.803 10 0 CFAEMP CC(C)C[NH2+]Cc1cc(C[N@@H+](C)CC(C)C)on1 ZINC000052452643 519746644 /nfs/dbraw/zinc/74/66/44/519746644.db2.gz YGSSYHFOGJHPRL-UHFFFAOYSA-N 2 1 253.390 2.508 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1CN1CCC[N@@H+](C)CC1 ZINC000052424473 519747704 /nfs/dbraw/zinc/74/77/04/519747704.db2.gz GJKLFEHCYNMITQ-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCN(C)CC1 ZINC000052424473 519747705 /nfs/dbraw/zinc/74/77/05/519747705.db2.gz GJKLFEHCYNMITQ-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCCN(C)CC1 ZINC000052424473 519747706 /nfs/dbraw/zinc/74/77/06/519747706.db2.gz GJKLFEHCYNMITQ-UHFFFAOYSA-N 2 1 289.467 2.570 10 0 CFAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181440 519910265 /nfs/dbraw/zinc/91/02/65/519910265.db2.gz WZIYQWWLEBUQDA-HNNXBMFYSA-N 2 1 270.461 2.761 10 0 CFAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000051251073 519911699 /nfs/dbraw/zinc/91/16/99/519911699.db2.gz BHEZFJUIKGVMED-OAHLLOKOSA-N 2 1 270.461 2.903 10 0 CFAEMP CC[NH2+]CC1(C[N@@H+](CC)C2CCCC2)CCOCC1 ZINC000052181628 519912779 /nfs/dbraw/zinc/91/27/79/519912779.db2.gz LTALXENYDGSSCV-UHFFFAOYSA-N 2 1 268.445 2.657 10 0 CFAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)[C@@H](C)CC)O1 ZINC000052451465 519926478 /nfs/dbraw/zinc/92/64/78/519926478.db2.gz VWKWJIQBBCBVFE-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372972 519928193 /nfs/dbraw/zinc/92/81/93/519928193.db2.gz CQNXCEICVNPLLF-ZDUSSCGKSA-N 2 1 250.386 2.515 10 0 CFAEMP CCC[NH2+]C[C@H](CC)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416943 519932106 /nfs/dbraw/zinc/93/21/06/519932106.db2.gz XZQDUQRHPYQNEZ-ZWKOTPCHSA-N 2 1 289.467 2.753 10 0 CFAEMP CCCCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454759 520152818 /nfs/dbraw/zinc/15/28/18/520152818.db2.gz KJUXFFWLDBODKJ-UHFFFAOYSA-N 2 1 253.390 2.795 10 0 CFAEMP CCCCC[N@@H+](Cc1cccnc1C(N)=[NH2+])C(C)C ZINC000061658267 520175887 /nfs/dbraw/zinc/17/58/87/520175887.db2.gz QNRWXICPAIAZJG-UHFFFAOYSA-N 2 1 262.401 2.766 10 0 CFAEMP CC[N@@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052446057 520258695 /nfs/dbraw/zinc/25/86/95/520258695.db2.gz CZYBGMGZJYKZJB-UHFFFAOYSA-N 2 1 252.358 2.951 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371523 520270036 /nfs/dbraw/zinc/27/00/36/520270036.db2.gz NEXXTXKPNUFCIT-LSDHHAIUSA-N 2 1 270.461 2.902 10 0 CFAEMP CCCC[N@@H+](CC)CC1(C[NH2+]CC)CCOCC1 ZINC000052180972 520476902 /nfs/dbraw/zinc/47/69/02/520476902.db2.gz VJKUEAPIKCLSQA-UHFFFAOYSA-N 2 1 256.434 2.515 10 0 CFAEMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631022 521618575 /nfs/dbraw/zinc/61/85/75/521618575.db2.gz LEYBAZOILDZIAC-JONQDZQNSA-N 2 1 282.472 2.756 10 0 CFAEMP CC[N@@H+]1CCC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000049193195 521624881 /nfs/dbraw/zinc/62/48/81/521624881.db2.gz KSINFXJDHDIJOA-GFCCVEGCSA-N 2 1 270.380 2.713 10 0 CFAEMP CC[N@H+]1CCC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000049193195 521624884 /nfs/dbraw/zinc/62/48/84/521624884.db2.gz KSINFXJDHDIJOA-GFCCVEGCSA-N 2 1 270.380 2.713 10 0 CFAEMP CCC[N@@H+](CCOc1cccc(C[NH2+]C)c1)C(C)C ZINC000052450371 521669142 /nfs/dbraw/zinc/66/91/42/521669142.db2.gz ZRLYNWXJRDQAPV-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)C2CCCC2)cc1 ZINC000052444825 522122078 /nfs/dbraw/zinc/12/20/78/522122078.db2.gz FXYHRYYMGHPIPV-UHFFFAOYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[NH2+]Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000052419091 522127088 /nfs/dbraw/zinc/12/70/88/522127088.db2.gz AFSULDHTHDQQRU-UHFFFAOYSA-N 2 1 266.388 2.964 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@@H+]1CCOC[C@H]1C ZINC000052475709 522169637 /nfs/dbraw/zinc/16/96/37/522169637.db2.gz CDWGYBSSFIGOKF-GFCCVEGCSA-N 2 1 290.432 2.841 10 0 CFAEMP C[NH2+]Cc1sc2ccccc2c1C[N@H+]1CCOC[C@H]1C ZINC000052475709 522169642 /nfs/dbraw/zinc/16/96/42/522169642.db2.gz CDWGYBSSFIGOKF-GFCCVEGCSA-N 2 1 290.432 2.841 10 0 CFAEMP C[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCCC1 ZINC000052444982 523146596 /nfs/dbraw/zinc/14/65/96/523146596.db2.gz GGLYKNANBGJAEG-LSDHHAIUSA-N 2 1 268.445 2.797 10 0 CFAEMP C[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@@H]1CCSC1 ZINC000052453316 523170269 /nfs/dbraw/zinc/17/02/69/523170269.db2.gz NIAVIYWQSSJTRZ-GFCCVEGCSA-N 2 1 283.441 2.500 10 0 CFAEMP CC[C@@H]1CCC[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180410 523265996 /nfs/dbraw/zinc/26/59/96/523265996.db2.gz IWNFPRDPJBLLNN-OAHLLOKOSA-N 2 1 268.445 2.656 10 0 CFAEMP C[N@@H+](Cc1csc(C[NH3+])n1)C1CCCCCC1 ZINC000052482069 523524153 /nfs/dbraw/zinc/52/41/53/523524153.db2.gz XEVDVXNHMBTTMY-UHFFFAOYSA-N 2 1 253.415 2.756 10 0 CFAEMP C[C@H](CCC[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372497 524141895 /nfs/dbraw/zinc/14/18/95/524141895.db2.gz MOHFMTATSKSYDC-OAHLLOKOSA-N 2 1 281.488 2.571 10 0 CFAEMP C[C@@H](C1CC1)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181790 524319596 /nfs/dbraw/zinc/31/95/96/524319596.db2.gz GMNZFCDUVUTLOQ-AWEZNQCLSA-N 2 1 282.472 2.902 10 0 CFAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000052481861 524456690 /nfs/dbraw/zinc/45/66/90/524456690.db2.gz JHWDAUJHQCMZFB-ZDUSSCGKSA-N 2 1 256.434 2.654 10 0 CFAEMP Cc1cc(C[N@@H+](C)Cc2cccs2)oc1C[NH3+] ZINC000052456257 524664110 /nfs/dbraw/zinc/66/41/10/524664110.db2.gz CJZGHBOSBPPUFI-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP Cc1cc(C[N@H+](C)Cc2cccs2)oc1C[NH3+] ZINC000052456257 524664120 /nfs/dbraw/zinc/66/41/20/524664120.db2.gz CJZGHBOSBPPUFI-UHFFFAOYSA-N 2 1 250.367 2.740 10 0 CFAEMP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049156024 524761168 /nfs/dbraw/zinc/76/11/68/524761168.db2.gz DTUVGODIKOGNJM-VNHYZAJKSA-N 2 1 266.454 2.999 10 0 CFAEMP C[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052475781 525126433 /nfs/dbraw/zinc/12/64/33/525126433.db2.gz QRJFKRLVPDODIJ-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H]1COCC[N@H+]1Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052475781 525126439 /nfs/dbraw/zinc/12/64/39/525126439.db2.gz QRJFKRLVPDODIJ-CQSZACIVSA-N 2 1 276.424 2.795 10 0 CFAEMP C[C@@H](c1cccs1)[N@@H+](C)Cc1ccoc1C[NH3+] ZINC000052506695 526146580 /nfs/dbraw/zinc/14/65/80/526146580.db2.gz KSMCNHRKLMYGID-JTQLQIEISA-N 2 1 250.367 2.993 10 0 CFAEMP C[C@H](C1CC1)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181792 526205199 /nfs/dbraw/zinc/20/51/99/526205199.db2.gz GMNZFCDUVUTLOQ-CQSZACIVSA-N 2 1 282.472 2.902 10 0 CFAEMP Cc1csc(C[NH2+]CC[C@H]([NH3+])c2ccccc2)n1 ZINC000049539138 526357065 /nfs/dbraw/zinc/35/70/65/526357065.db2.gz NBCKCWPZNDCMKT-ZDUSSCGKSA-N 2 1 261.394 2.631 10 0 CFAEMP c1ccc2c(c1)CC[N@H+](CCC[C@@H]1CCCC[NH2+]1)C2 ZINC000050952385 526503122 /nfs/dbraw/zinc/50/31/22/526503122.db2.gz SZPUXZIRTIPMDV-KRWDZBQOSA-N 2 1 258.409 2.967 10 0 CFAEMP [NH3+]Cc1ccoc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702303 527262027 /nfs/dbraw/zinc/26/20/27/527262027.db2.gz POGIJRZOZBUKOQ-MRXNPFEDSA-N 2 1 286.375 2.529 10 0 CFAEMP [NH3+]Cc1occc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373082 527268726 /nfs/dbraw/zinc/26/87/26/527268726.db2.gz ANZCEGNKIJJTAF-CQSZACIVSA-N 2 1 256.349 2.728 10 0 CFAEMP [NH3+]Cc1occc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373082 527268730 /nfs/dbraw/zinc/26/87/30/527268730.db2.gz ANZCEGNKIJJTAF-CQSZACIVSA-N 2 1 256.349 2.728 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246234208 527396009 /nfs/dbraw/zinc/39/60/09/527396009.db2.gz GRUOUDPURPIXOO-CVEARBPZSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246234208 527396016 /nfs/dbraw/zinc/39/60/16/527396016.db2.gz GRUOUDPURPIXOO-CVEARBPZSA-N 2 1 277.412 2.615 10 0 CFAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468773 574355651 /nfs/dbraw/zinc/35/56/51/574355651.db2.gz VTFNHYIZJQWSKT-UAGQMJEPSA-N 2 1 288.460 2.602 10 0 CFAEMP CCC[C@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757146134 617819670 /nfs/dbraw/zinc/81/96/70/617819670.db2.gz RDNSMYFGAREFJT-LBPRGKRZSA-N 2 1 254.418 2.802 10 0 CFAEMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998011 619361818 /nfs/dbraw/zinc/36/18/18/619361818.db2.gz TTYWOMHDXAOVJY-RHSMWYFYSA-N 2 1 276.399 2.789 10 0 CFAEMP CC(C)[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1C(C)C ZINC000082434891 178012377 /nfs/dbraw/zinc/01/23/77/178012377.db2.gz DTDBLODTKPYFBX-UHFFFAOYSA-N 2 1 296.484 2.516 10 0 CFAEMP O[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000037164655 346327545 /nfs/dbraw/zinc/32/75/45/346327545.db2.gz NEABEQRHLPTZBX-QZTJIDSGSA-N 2 1 288.435 2.544 10 0 CFAEMP CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818610 179347699 /nfs/dbraw/zinc/34/76/99/179347699.db2.gz IICDVSXEAVOKKU-HNNXBMFYSA-N 2 1 262.397 2.659 10 0 CFAEMP C[C@@H]1CCC[C@](CN[C@@H]2CCC[N@@H+](C)CC2)([NH+](C)C)C1 ZINC000086818873 179348715 /nfs/dbraw/zinc/34/87/15/179348715.db2.gz MTSNUDVBJHNNRO-ZACQAIPSSA-N 2 1 281.488 2.571 10 0 CFAEMP C[C@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818698 179346879 /nfs/dbraw/zinc/34/68/79/179346879.db2.gz ZERAVGKIJQXAQZ-OLZOCXBDSA-N 2 1 282.378 2.970 10 0 CFAEMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818705 179347084 /nfs/dbraw/zinc/34/70/84/179347084.db2.gz IEFIPSHAECDESE-NVXWUHKLSA-N 2 1 260.425 3.000 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357022 /nfs/dbraw/zinc/35/70/22/179357022.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357024 /nfs/dbraw/zinc/35/70/24/179357024.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)[N@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357026 /nfs/dbraw/zinc/35/70/26/179357026.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)[NH+]1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357028 /nfs/dbraw/zinc/35/70/28/179357028.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 1 283.504 2.945 10 0 CFAEMP CC(C)[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357031 /nfs/dbraw/zinc/35/70/31/179357031.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 1 283.504 2.945 10 0 CFAEMP CCCCN(CC)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846576 179354683 /nfs/dbraw/zinc/35/46/83/179354683.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CCCC[N@H+](CC)[C@]1(CN)CCC[NH+](CCC)CC1 ZINC000086846576 179354686 /nfs/dbraw/zinc/35/46/86/179354686.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CCCC[N@@H+](CC)[C@]1(CN)CCC[NH+](CCC)CC1 ZINC000086846576 179354688 /nfs/dbraw/zinc/35/46/88/179354688.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CCCC[NH+](CC)[C@]1(CN)CCC[N@H+](CCC)CC1 ZINC000086846576 179354690 /nfs/dbraw/zinc/35/46/90/179354690.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CCCC[NH+](CC)[C@]1(CN)CCC[N@@H+](CCC)CC1 ZINC000086846576 179354691 /nfs/dbraw/zinc/35/46/91/179354691.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 1 269.477 2.702 10 0 CFAEMP CCC[N@H+]1CCC[C@@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867917 179360278 /nfs/dbraw/zinc/36/02/78/179360278.db2.gz KSKCIACCWURANC-MRXNPFEDSA-N 2 1 268.445 2.536 10 0 CFAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108946 282606085 /nfs/dbraw/zinc/60/60/85/282606085.db2.gz QQOFYPUHBROKIV-NEPJUHHUSA-N 2 1 258.369 2.503 10 0 CFAEMP c1cc2c(s1)CCN[C@@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000307204944 348397208 /nfs/dbraw/zinc/39/72/08/348397208.db2.gz GUFISNFXMOUJJM-QGZVFWFLSA-N 2 1 284.428 2.995 10 0 CFAEMP c1cc2c(s1)CCN[C@@]21CC[N@H+](Cc2ccccc2)C1 ZINC000307204944 348397213 /nfs/dbraw/zinc/39/72/13/348397213.db2.gz GUFISNFXMOUJJM-QGZVFWFLSA-N 2 1 284.428 2.995 10 0 CFAEMP C[N@@H+](Cc1ccncc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328651498 348441908 /nfs/dbraw/zinc/44/19/08/348441908.db2.gz VYMVKUQTHTUNJP-GFCCVEGCSA-N 2 1 290.798 2.626 10 0 CFAEMP C[N@H+](Cc1ccncc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328651498 348441911 /nfs/dbraw/zinc/44/19/11/348441911.db2.gz VYMVKUQTHTUNJP-GFCCVEGCSA-N 2 1 290.798 2.626 10 0 CFAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cscn1 ZINC000104446307 186005451 /nfs/dbraw/zinc/00/54/51/186005451.db2.gz RJNOLVGAEYWXME-GOOCMWNKSA-N 2 1 279.453 2.681 10 0 CFAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1cscn1 ZINC000104446307 186005452 /nfs/dbraw/zinc/00/54/52/186005452.db2.gz RJNOLVGAEYWXME-GOOCMWNKSA-N 2 1 279.453 2.681 10 0 CFAEMP Cc1ncsc1C[N@H+](C)CC[C@H]([NH3+])C(C)(C)C ZINC000104449419 186006131 /nfs/dbraw/zinc/00/61/31/186006131.db2.gz LPAXCUMUPVVMKC-LBPRGKRZSA-N 2 1 255.431 2.647 10 0 CFAEMP Cc1ncsc1C[N@@H+](C)CC[C@H]([NH3+])C(C)(C)C ZINC000104449419 186006133 /nfs/dbraw/zinc/00/61/33/186006133.db2.gz LPAXCUMUPVVMKC-LBPRGKRZSA-N 2 1 255.431 2.647 10 0 CFAEMP c1c[nH]c([C@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n1 ZINC000328899619 202104077 /nfs/dbraw/zinc/10/40/77/202104077.db2.gz XNEWCRGDSHCIJP-NSHDSACASA-N 2 1 299.403 2.794 10 0 CFAEMP c1c[nH]c([C@H]2CCCN(Cc3nc4cccnc4s3)C2)n1 ZINC000328899619 202104078 /nfs/dbraw/zinc/10/40/78/202104078.db2.gz XNEWCRGDSHCIJP-NSHDSACASA-N 2 1 299.403 2.794 10 0 CFAEMP C[N@H+](Cc1ccccc1)CC(C)(C)NC[C@H]1CCC[NH+]1C ZINC000379680149 540676686 /nfs/dbraw/zinc/67/66/86/540676686.db2.gz LDJQLRCVDJDTIR-QGZVFWFLSA-N 2 1 289.467 2.581 10 0 CFAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@H]1CCC[NH+]1C ZINC000379680149 540676690 /nfs/dbraw/zinc/67/66/90/540676690.db2.gz LDJQLRCVDJDTIR-QGZVFWFLSA-N 2 1 289.467 2.581 10 0 CFAEMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@H]1CCC[N@@H+]1C ZINC000379680149 540676694 /nfs/dbraw/zinc/67/66/94/540676694.db2.gz LDJQLRCVDJDTIR-QGZVFWFLSA-N 2 1 289.467 2.581 10 0 CFAEMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@H]1CCC[N@H+]1C ZINC000379680149 540676697 /nfs/dbraw/zinc/67/66/97/540676697.db2.gz LDJQLRCVDJDTIR-QGZVFWFLSA-N 2 1 289.467 2.581 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738190 541029416 /nfs/dbraw/zinc/02/94/16/541029416.db2.gz ZXCQKXJVYPNAMJ-TUKIKUTGSA-N 2 1 280.412 2.587 10 0 CFAEMP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275359195 193010854 /nfs/dbraw/zinc/01/08/54/193010854.db2.gz ATOCDBDUDLOROP-IEXSPKMKSA-N 2 1 267.376 2.749 10 0 CFAEMP Cc1nccn1CCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125472925 377158574 /nfs/dbraw/zinc/15/85/74/377158574.db2.gz GRUOUDPURPIXOO-HOTGVXAUSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125472925 377158579 /nfs/dbraw/zinc/15/85/79/377158579.db2.gz GRUOUDPURPIXOO-HOTGVXAUSA-N 2 1 277.412 2.615 10 0 CFAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125472925 377158583 /nfs/dbraw/zinc/15/85/83/377158583.db2.gz GRUOUDPURPIXOO-HOTGVXAUSA-N 2 1 277.412 2.615 10 0 CFAEMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000129704493 377463807 /nfs/dbraw/zinc/46/38/07/377463807.db2.gz TYZMBFIITPYLAN-KCQAQPDRSA-N 2 1 260.381 2.583 10 0 CFAEMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000129704493 377463814 /nfs/dbraw/zinc/46/38/14/377463814.db2.gz TYZMBFIITPYLAN-KCQAQPDRSA-N 2 1 260.381 2.583 10 0 CFAEMP O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151326107 378317517 /nfs/dbraw/zinc/31/75/17/378317517.db2.gz STDDJRPPZVKGJH-SJLPKXTDSA-N 2 1 288.435 2.500 10 0 CFAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2ccnc2)cc1 ZINC000177711657 380372644 /nfs/dbraw/zinc/37/26/44/380372644.db2.gz XOTXNUYWZUGJGI-SFHVURJKSA-N 2 1 298.434 2.788 10 0 CFAEMP C[C@@H]([NH2+]Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000400330499 380856267 /nfs/dbraw/zinc/85/62/67/380856267.db2.gz FWBNCIIVOZLUMQ-MNOVXSKESA-N 2 1 283.213 2.537 10 0 CFAEMP CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188397892 382406465 /nfs/dbraw/zinc/40/64/65/382406465.db2.gz WIDMNUNEDDDNIL-INIZCTEOSA-N 2 1 285.391 2.946 10 0 CFAEMP Cc1cc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)o1 ZINC000381215363 382518799 /nfs/dbraw/zinc/51/87/99/382518799.db2.gz WMCDJAURBSUAMN-IFUGULHKSA-N 2 1 250.386 2.874 10 0 CFAEMP [NH3+][C@H]1CCc2[nH+]c(C3CCC(F)(F)CC3)[nH]c2C1 ZINC000216985500 382785107 /nfs/dbraw/zinc/78/51/07/382785107.db2.gz UORRWYUOILETLM-VIFPVBQESA-N 2 1 255.312 2.519 10 0 CFAEMP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067051 383138096 /nfs/dbraw/zinc/13/80/96/383138096.db2.gz IJLGXYBFSXVCNN-NJAFHUGGSA-N 2 1 288.435 2.808 10 0 CFAEMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987637 383456673 /nfs/dbraw/zinc/45/66/73/383456673.db2.gz GTESFOFJCAVOOZ-JKSUJKDBSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987637 383456675 /nfs/dbraw/zinc/45/66/75/383456675.db2.gz GTESFOFJCAVOOZ-JKSUJKDBSA-N 3 1 281.488 2.619 10 0 CFAEMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987637 383456678 /nfs/dbraw/zinc/45/66/78/383456678.db2.gz GTESFOFJCAVOOZ-JKSUJKDBSA-N 3 1 281.488 2.619 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000261564229 383513913 /nfs/dbraw/zinc/51/39/13/383513913.db2.gz XPJIIQSQVFEVIC-FPMFFAJLSA-N 2 1 250.773 2.509 10 0 CFAEMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261574217 383517007 /nfs/dbraw/zinc/51/70/07/383517007.db2.gz MOBSRLPMNQBCKL-NWANDNLSSA-N 2 1 264.800 2.818 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]12 ZINC000261576736 383517447 /nfs/dbraw/zinc/51/74/47/383517447.db2.gz NXTXGCARTDJPBM-COPLHBTASA-N 2 1 268.763 2.648 10 0 CFAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]12 ZINC000261576736 383517454 /nfs/dbraw/zinc/51/74/54/383517454.db2.gz NXTXGCARTDJPBM-COPLHBTASA-N 2 1 268.763 2.648 10 0 CFAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261583657 383519557 /nfs/dbraw/zinc/51/95/57/383519557.db2.gz HJRCYRQJPYPXGL-SGMGOOAPSA-N 2 1 280.799 2.518 10 0 CFAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261583657 383519562 /nfs/dbraw/zinc/51/95/62/383519562.db2.gz HJRCYRQJPYPXGL-SGMGOOAPSA-N 2 1 280.799 2.518 10 0 CFAEMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261624172 383530744 /nfs/dbraw/zinc/53/07/44/383530744.db2.gz VAJWXVLSZRMPEZ-DRPJVOAASA-N 2 1 262.372 2.946 10 0 CFAEMP CCc1nc(NCc2ccc3c(c2)C[NH2+]C3)cc(C)[nH+]1 ZINC000261876463 383574280 /nfs/dbraw/zinc/57/42/80/383574280.db2.gz ZUGFLGJGYRRWGG-UHFFFAOYSA-N 2 1 268.364 2.563 10 0 CFAEMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1c1ccccc1 ZINC000261886500 383575306 /nfs/dbraw/zinc/57/53/06/383575306.db2.gz ZEKCGLRFDFMJNP-SJORKVTESA-N 2 1 258.409 2.851 10 0 CFAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261899461 383577113 /nfs/dbraw/zinc/57/71/13/383577113.db2.gz HNBCASNBLCJVTD-SPUZQDLCSA-N 2 1 288.435 2.537 10 0 CFAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262037186 383597364 /nfs/dbraw/zinc/59/73/64/383597364.db2.gz YAYPZRFQCUQKDS-ZACQAIPSSA-N 2 1 294.483 2.950 10 0 CFAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262050287 383600139 /nfs/dbraw/zinc/60/01/39/383600139.db2.gz ZNTHOUOTADAWTR-HLLBOEOZSA-N 2 1 273.424 2.682 10 0 CFAEMP Cc1nc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)sc1C ZINC000262236890 383613985 /nfs/dbraw/zinc/61/39/85/383613985.db2.gz OPOFVYAZDWJHOK-OAHLLOKOSA-N 2 1 293.480 2.939 10 0 CFAEMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000262570026 383627253 /nfs/dbraw/zinc/62/72/53/383627253.db2.gz XIHWHMRSTXUQCF-BHYGNILZSA-N 2 1 297.402 2.819 10 0 CFAEMP Cc1ncsc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516459 184687092 /nfs/dbraw/zinc/68/70/92/184687092.db2.gz IYWFVNSNHIMRQX-AAEUAGOBSA-N 2 1 267.442 2.852 10 0 CFAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645268 393565631 /nfs/dbraw/zinc/56/56/31/393565631.db2.gz XQVDCAQKSKXTHS-FRRDWIJNSA-N 2 1 260.372 2.871 10 0 CFAEMP c1[nH+]c(C2CC[NH+](C3CCC3)CC2)n2c1CCCC2 ZINC000335887826 285573289 /nfs/dbraw/zinc/57/32/89/285573289.db2.gz PHFLNXMYOCSVKO-UHFFFAOYSA-N 2 1 259.397 2.951 10 0 CFAEMP C[N@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000530220152 394487440 /nfs/dbraw/zinc/48/74/40/394487440.db2.gz SKHPHGPEVVPCCI-LBPRGKRZSA-N 2 1 287.329 2.674 10 0 CFAEMP C[N@@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000530220152 394487444 /nfs/dbraw/zinc/48/74/44/394487444.db2.gz SKHPHGPEVVPCCI-LBPRGKRZSA-N 2 1 287.329 2.674 10 0 CFAEMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128571 171015349 /nfs/dbraw/zinc/01/53/49/171015349.db2.gz TWUITJYFHWLSGF-UHFFFAOYSA-N 3 1 289.467 2.712 10 0 CFAEMP CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N)c[nH+]1 ZINC000020383140 171173056 /nfs/dbraw/zinc/17/30/56/171173056.db2.gz WHJKYHFNOOMXDG-GFCCVEGCSA-N 2 1 250.390 2.586 10 0 CFAEMP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000040506736 174302090 /nfs/dbraw/zinc/30/20/90/174302090.db2.gz XFHFYTIWQRAUKB-CVEARBPZSA-N 2 1 270.461 2.903 10 0 CFAEMP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000040506731 174302202 /nfs/dbraw/zinc/30/22/02/174302202.db2.gz UZJCJUWZDWTZHA-GJZGRUSLSA-N 2 1 256.434 2.513 10 0 CFAEMP C[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000040715939 174383691 /nfs/dbraw/zinc/38/36/91/174383691.db2.gz GURSEGYZDXWWFL-SNVBAGLBSA-N 2 1 264.760 2.539 10 0 CFAEMP C[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000040715939 174383692 /nfs/dbraw/zinc/38/36/92/174383692.db2.gz GURSEGYZDXWWFL-SNVBAGLBSA-N 2 1 264.760 2.539 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749329 174393907 /nfs/dbraw/zinc/39/39/07/174393907.db2.gz REXPALWEXBERIA-NSNUZPRRSA-N 2 1 266.335 2.980 10 0 CFAEMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749329 174393908 /nfs/dbraw/zinc/39/39/08/174393908.db2.gz REXPALWEXBERIA-NSNUZPRRSA-N 2 1 266.335 2.980 10 0 CFAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000043323789 175006613 /nfs/dbraw/zinc/00/66/13/175006613.db2.gz MCIQFSQVFBFNGD-CYIKRSNASA-N 2 1 262.441 2.933 10 0 CFAEMP [NH3+]CC1([N@H+]2CCO[C@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424910 175040202 /nfs/dbraw/zinc/04/02/02/175040202.db2.gz MRHXOJUKLDSVNB-GJZGRUSLSA-N 2 1 266.429 2.682 10 0 CFAEMP Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000043480116 175056062 /nfs/dbraw/zinc/05/60/62/175056062.db2.gz OUHDQSPEZPIHGF-GFCCVEGCSA-N 2 1 280.799 2.620 10 0 CFAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591879 175073826 /nfs/dbraw/zinc/07/38/26/175073826.db2.gz PVZFYSCXOQYMTK-CYBMUJFWSA-N 2 1 252.427 2.960 10 0 CFAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000043591877 175073878 /nfs/dbraw/zinc/07/38/78/175073878.db2.gz WDOZJVARNADBFP-CYBMUJFWSA-N 2 1 252.427 2.960 10 0 CFAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+](C)C1CC1 ZINC000043822937 175114501 /nfs/dbraw/zinc/11/45/01/175114501.db2.gz WCVSHVRDANKZPL-GFCCVEGCSA-N 2 1 262.397 2.960 10 0 CFAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890361 175118309 /nfs/dbraw/zinc/11/83/09/175118309.db2.gz OJNUXTQWDCSFNK-HZPDHXFCSA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896195 175119489 /nfs/dbraw/zinc/11/94/89/175119489.db2.gz NKSGOHAWPDTVMZ-HZPDHXFCSA-N 2 1 298.471 2.771 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](C)CCc1ccncc1 ZINC000043901946 175121743 /nfs/dbraw/zinc/12/17/43/175121743.db2.gz PEPJUSGTBSHTHU-HOTGVXAUSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000043901946 175121744 /nfs/dbraw/zinc/12/17/44/175121744.db2.gz PEPJUSGTBSHTHU-HOTGVXAUSA-N 2 1 263.429 2.723 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043915102 175124176 /nfs/dbraw/zinc/12/41/76/175124176.db2.gz IKZSJFFVLXNIMW-CVEARBPZSA-N 2 1 298.471 2.628 10 0 CFAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043915102 175124178 /nfs/dbraw/zinc/12/41/78/175124178.db2.gz IKZSJFFVLXNIMW-CVEARBPZSA-N 2 1 298.471 2.628 10 0 CFAEMP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@@H+](CC)CCOC ZINC000043968588 175129456 /nfs/dbraw/zinc/12/94/56/175129456.db2.gz VSYIJKKNFVYMII-AWEZNQCLSA-N 2 1 294.439 2.834 10 0 CFAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](CCOC)CC(C)C ZINC000043970295 175130916 /nfs/dbraw/zinc/13/09/16/175130916.db2.gz IYHFQMGJUNLXIC-GJZGRUSLSA-N 2 1 258.450 2.758 10 0 CFAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970439 175131356 /nfs/dbraw/zinc/13/13/56/175131356.db2.gz PDHALOTXUARYMX-CABCVRRESA-N 2 1 256.434 2.512 10 0 CFAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971144 175131774 /nfs/dbraw/zinc/13/17/74/175131774.db2.gz YBFWLOBOEGRKCS-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971144 175131775 /nfs/dbraw/zinc/13/17/75/175131775.db2.gz YBFWLOBOEGRKCS-OWCLPIDISA-N 2 1 268.445 2.798 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](CCCOC)CCOC ZINC000043971019 175132127 /nfs/dbraw/zinc/13/21/27/175132127.db2.gz RMKSYWLYCWWAHN-HZPDHXFCSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCCOC)CCOC ZINC000043971019 175132128 /nfs/dbraw/zinc/13/21/28/175132128.db2.gz RMKSYWLYCWWAHN-HZPDHXFCSA-N 2 1 288.476 2.528 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CC(C)C)C(C)C ZINC000043974118 175132853 /nfs/dbraw/zinc/13/28/53/175132853.db2.gz FRDAQNMGZNULIJ-CABCVRRESA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CC(C)C)C(C)C ZINC000043974118 175132854 /nfs/dbraw/zinc/13/28/54/175132854.db2.gz FRDAQNMGZNULIJ-CABCVRRESA-N 2 1 256.434 2.510 10 0 CFAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](CCOC)C(CC)CC ZINC000043977298 175133226 /nfs/dbraw/zinc/13/32/26/175133226.db2.gz JKSFEXOPONDUED-ZIAGYGMSSA-N 2 1 258.450 2.900 10 0 CFAEMP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977372 175133328 /nfs/dbraw/zinc/13/33/28/175133328.db2.gz KHODFQKIIDKYGX-CWRNSKLLSA-N 2 1 268.445 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CC)[C@@H](C)COC ZINC000043981891 175133980 /nfs/dbraw/zinc/13/39/80/175133980.db2.gz HMKSVVXHXZHBKK-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CC)[C@@H](C)COC ZINC000043981891 175133982 /nfs/dbraw/zinc/13/39/82/175133982.db2.gz HMKSVVXHXZHBKK-KKUMJFAQSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[N@H+]([C@@H](C)COC)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043980916 175134325 /nfs/dbraw/zinc/13/43/25/175134325.db2.gz BBFLNNUPJPBZAJ-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[N@@H+]([C@@H](C)COC)[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043980916 175134327 /nfs/dbraw/zinc/13/43/27/175134327.db2.gz BBFLNNUPJPBZAJ-SOUVJXGZSA-N 2 1 256.434 2.654 10 0 CFAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)c1cc(OC)ccc1OC ZINC000043994251 175136245 /nfs/dbraw/zinc/13/62/45/175136245.db2.gz ZKIKRTJKJMWQIB-HNNXBMFYSA-N 2 1 289.379 2.560 10 0 CFAEMP CCc1[nH+]ccn1C[C@H]([NH2+]C)c1cc(C)ccc1OC ZINC000044037425 175139867 /nfs/dbraw/zinc/13/98/67/175139867.db2.gz FKPNEBSVHLMNAW-AWEZNQCLSA-N 2 1 273.380 2.723 10 0 CFAEMP [NH3+]C[C@H]1CCC[N@H+]([C@@H](c2ccccc2)c2ccccn2)C1 ZINC000044527863 175192746 /nfs/dbraw/zinc/19/27/46/175192746.db2.gz WZUAYGGTBZNICE-QAPCUYQASA-N 2 1 281.403 2.842 10 0 CFAEMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540287 175200840 /nfs/dbraw/zinc/20/08/40/175200840.db2.gz DSTSOJMMQKMAFU-PBHICJAKSA-N 2 1 274.408 2.886 10 0 CFAEMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540287 175200842 /nfs/dbraw/zinc/20/08/42/175200842.db2.gz DSTSOJMMQKMAFU-PBHICJAKSA-N 2 1 274.408 2.886 10 0 CFAEMP C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)c2c[nH+]ccc12 ZINC000044563616 175206505 /nfs/dbraw/zinc/20/65/05/175206505.db2.gz HAMKYQFMCCYXPH-GFCCVEGCSA-N 2 1 270.380 2.713 10 0 CFAEMP C[N@H+]1CCCC[C@@H]1CNc1ccc(N)c2c[nH+]ccc12 ZINC000044563616 175206506 /nfs/dbraw/zinc/20/65/06/175206506.db2.gz HAMKYQFMCCYXPH-GFCCVEGCSA-N 2 1 270.380 2.713 10 0 CFAEMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)cc1 ZINC000044573224 175210159 /nfs/dbraw/zinc/21/01/59/175210159.db2.gz VYWHUHUBYFXVHF-UHFFFAOYSA-N 2 1 264.413 2.905 10 0 CFAEMP C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000044674962 175227006 /nfs/dbraw/zinc/22/70/06/175227006.db2.gz BYKHQDVLMGTJNZ-RKTXRCNFSA-N 2 1 258.409 2.862 10 0 CFAEMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747451 175243216 /nfs/dbraw/zinc/24/32/16/175243216.db2.gz XNHVFZXHELYPPT-KRWDZBQOSA-N 2 1 274.408 2.844 10 0 CFAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747324 175243238 /nfs/dbraw/zinc/24/32/38/175243238.db2.gz OPLUBJLDXYTSPT-CXAGYDPISA-N 2 1 274.408 2.701 10 0 CFAEMP COCC[C@@](C)(C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000045043563 175295750 /nfs/dbraw/zinc/29/57/50/175295750.db2.gz OIUPGXYJSKMRDW-AWEZNQCLSA-N 2 1 270.442 2.712 10 0 CFAEMP COCC[C@@](C)(C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000045043563 175295752 /nfs/dbraw/zinc/29/57/52/175295752.db2.gz OIUPGXYJSKMRDW-AWEZNQCLSA-N 2 1 270.442 2.712 10 0 CFAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073395 175302512 /nfs/dbraw/zinc/30/25/12/175302512.db2.gz DCWOCMPKBJMCPL-BRWVUGGUSA-N 2 1 280.456 2.798 10 0 CFAEMP CC(C)CCOCC[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000045109368 175309463 /nfs/dbraw/zinc/30/94/63/175309463.db2.gz TUIXWTONWQYMBC-GASCZTMLSA-N 2 1 256.434 2.512 10 0 CFAEMP CCn1nc(C)c([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173281 175322530 /nfs/dbraw/zinc/32/25/30/175322530.db2.gz AWFNPMDXLVMZNE-FFHGMXDLSA-N 2 1 276.428 2.535 10 0 CFAEMP CCCC[NH+](CCCC)CC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045263350 175337768 /nfs/dbraw/zinc/33/77/68/175337768.db2.gz IQDBBTIXCDLJMC-MRXNPFEDSA-N 2 1 285.476 2.522 10 0 CFAEMP CCC1CCC([N@H+](C)CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045281160 175351605 /nfs/dbraw/zinc/35/16/05/175351605.db2.gz LCWFZEXVKOFJQW-DQPZFDDXSA-N 2 1 297.487 2.519 10 0 CFAEMP CCC1CCC([N@@H+](C)CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045281160 175351606 /nfs/dbraw/zinc/35/16/06/175351606.db2.gz LCWFZEXVKOFJQW-DQPZFDDXSA-N 2 1 297.487 2.519 10 0 CFAEMP CCC[NH2+][C@@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281158 175352143 /nfs/dbraw/zinc/35/21/43/175352143.db2.gz VMGBXVAQFXVLRG-DQPZFDDXSA-N 2 1 297.487 2.521 10 0 CFAEMP CCC[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281158 175352145 /nfs/dbraw/zinc/35/21/45/175352145.db2.gz VMGBXVAQFXVLRG-DQPZFDDXSA-N 2 1 297.487 2.521 10 0 CFAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045368249 175363084 /nfs/dbraw/zinc/36/30/84/175363084.db2.gz CPIVFYVNSGNQBE-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045368249 175363085 /nfs/dbraw/zinc/36/30/85/175363085.db2.gz CPIVFYVNSGNQBE-MRXNPFEDSA-N 2 1 286.460 2.820 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378003 175367761 /nfs/dbraw/zinc/36/77/61/175367761.db2.gz YQXHIDINJSNHNR-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378003 175367762 /nfs/dbraw/zinc/36/77/62/175367762.db2.gz YQXHIDINJSNHNR-INIZCTEOSA-N 2 1 286.460 2.817 10 0 CFAEMP CCC[NH+](CCC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045378632 175367847 /nfs/dbraw/zinc/36/78/47/175367847.db2.gz OWZBYXHBOSFUAI-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383665 175371049 /nfs/dbraw/zinc/37/10/49/175371049.db2.gz BGRFSVDYZNFJNL-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383665 175371050 /nfs/dbraw/zinc/37/10/50/175371050.db2.gz BGRFSVDYZNFJNL-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385837 175372200 /nfs/dbraw/zinc/37/22/00/175372200.db2.gz CULYBSGZDKMSFW-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385837 175372201 /nfs/dbraw/zinc/37/22/01/175372201.db2.gz CULYBSGZDKMSFW-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386595 175372934 /nfs/dbraw/zinc/37/29/34/175372934.db2.gz PDSXAMJDCRJXGK-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CC1)[NH2+]C(C)C ZINC000045386595 175372935 /nfs/dbraw/zinc/37/29/35/175372935.db2.gz PDSXAMJDCRJXGK-INIZCTEOSA-N 2 1 284.444 2.571 10 0 CFAEMP CCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045387130 175373169 /nfs/dbraw/zinc/37/31/69/175373169.db2.gz DCWVJRSSAFYIBF-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045387130 175373170 /nfs/dbraw/zinc/37/31/70/175373170.db2.gz DCWVJRSSAFYIBF-INIZCTEOSA-N 2 1 286.460 2.818 10 0 CFAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000045390506 175374385 /nfs/dbraw/zinc/37/43/85/175374385.db2.gz JQZXWPMWVLFPSI-KRWDZBQOSA-N 2 1 297.487 2.665 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393063 175375513 /nfs/dbraw/zinc/37/55/13/175375513.db2.gz MESGRUNKXWSCHA-WMLDXEAASA-N 2 1 298.471 2.817 10 0 CFAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393063 175375515 /nfs/dbraw/zinc/37/55/15/175375515.db2.gz MESGRUNKXWSCHA-WMLDXEAASA-N 2 1 298.471 2.817 10 0 CFAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419338 175378179 /nfs/dbraw/zinc/37/81/79/175378179.db2.gz IOULDICSLALUSW-ZMSDIMECSA-N 2 1 296.455 2.559 10 0 CFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000071142170 176040266 /nfs/dbraw/zinc/04/02/66/176040266.db2.gz DHSZQZDNVGOJMP-ZJIFWQFVSA-N 2 1 252.446 2.989 10 0 CFAEMP c1ccc(C[C@@H]2CC[NH2+][C@H]2C[NH+]2CCCCC2)cc1 ZINC000039277487 260172069 /nfs/dbraw/zinc/17/20/69/260172069.db2.gz DANSRUVTWYEJOA-IRXDYDNUSA-N 2 1 258.409 2.693 10 0 CFAEMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398339461 270321806 /nfs/dbraw/zinc/32/18/06/270321806.db2.gz MINGXNZCFABXPV-QGZVFWFLSA-N 2 1 296.414 2.965 10 0 CFAEMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C[C@H]2C1 ZINC000262047213 275737046 /nfs/dbraw/zinc/73/70/46/275737046.db2.gz ZFGXTFGUFXGWSY-GVLSGGHMSA-N 2 1 292.467 2.702 10 0 CFAEMP CC1(C)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262005579 276102740 /nfs/dbraw/zinc/10/27/40/276102740.db2.gz UYGDAGYVOMVANW-ARFHVFGLSA-N 2 1 280.456 2.702 10 0 CFAEMP CC1(C)C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261778007 278340754 /nfs/dbraw/zinc/34/07/54/278340754.db2.gz SYRRBOLUULKDMT-HUUCEWRRSA-N 2 1 262.372 2.872 10 0 CFAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]21 ZINC000261558973 295310055 /nfs/dbraw/zinc/31/00/55/295310055.db2.gz XOKWCVKIPUHGLU-REWJHTLYSA-N 2 1 272.383 2.871 10 0 CFAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](C)C2)o1 ZINC000052484409 519747079 /nfs/dbraw/zinc/74/70/79/519747079.db2.gz BZHRPYAAVOHRQM-ZDUSSCGKSA-N 2 1 250.386 2.867 10 0 CFAEMP