smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1nc(CC(c2ccccc2)c2ccccc2)c[nH]1 ZINC000000005987 183388123 /nfs/dbraw/zinc/38/81/23/183388123.db2.gz CGWCKWISXYESMC-UHFFFAOYSA-N 1 0 248.329 3.784 10 0 BHAERO C[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000015752 173385912 /nfs/dbraw/zinc/38/59/12/173385912.db2.gz FIFXMZHMRFLFLK-UHFFFAOYSA-N 1 0 249.398 3.707 10 0 BHAERO C[NH+](C)CCc1c[nH]c2ccc(C(C)(C)C)cc12 ZINC000000017644 398277272 /nfs/dbraw/zinc/27/72/72/398277272.db2.gz HDRWZHXQBFCRDG-UHFFFAOYSA-N 1 0 244.382 3.570 10 0 BHAERO Clc1ccccc1-c1c[n+]2ccccc2s1 ZINC000000162671 342678410 /nfs/dbraw/zinc/67/84/10/342678410.db2.gz SERJISIRRUXXQC-UHFFFAOYSA-N 1 0 246.742 3.807 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cc2ccccc2nc1Cl ZINC000000251656 171342645 /nfs/dbraw/zinc/34/26/45/171342645.db2.gz QYIBEGHHWRJAOW-JTQLQIEISA-N 1 0 248.757 3.776 10 0 BHAERO [NH3+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000335649 344704779 /nfs/dbraw/zinc/70/47/79/344704779.db2.gz RHKXUGOPMGQXIR-CYBMUJFWSA-N 1 0 235.689 3.527 10 0 BHAERO [NH3+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000335650 344704684 /nfs/dbraw/zinc/70/46/84/344704684.db2.gz RHKXUGOPMGQXIR-ZDUSSCGKSA-N 1 0 235.689 3.527 10 0 BHAERO [NH3+]C1(c2ccc(Cl)s2)CCCCC1 ZINC000000337226 181334068 /nfs/dbraw/zinc/33/40/68/181334068.db2.gz FZFHDODULZLAPA-UHFFFAOYSA-N 1 0 215.749 3.520 10 0 BHAERO CC[n+]1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000000410160 259645854 /nfs/dbraw/zinc/64/58/54/259645854.db2.gz UJSDBSOJTLWIDO-ONEGZZNKSA-N 1 0 244.745 3.818 10 0 BHAERO CCn1c2ccccc2nc1Nc1ccccc1 ZINC000000513582 172146377 /nfs/dbraw/zinc/14/63/77/172146377.db2.gz KYKKYOKDYUPYHS-UHFFFAOYSA-N 1 0 237.306 3.800 10 0 BHAERO C[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000000968306 342695126 /nfs/dbraw/zinc/69/51/26/342695126.db2.gz YXKTVDFXDRQTKV-OAHLLOKOSA-N 1 0 239.362 3.750 10 0 world BHAERO C(\c1ccccc1)=C1\CCCC[C@H]1[NH+]1CCC1 ZINC000001481927 383902300 /nfs/dbraw/zinc/90/23/00/383902300.db2.gz DOWWDQZIFWLREB-QJPKHSJYSA-N 1 0 227.351 3.718 10 0 in-man BHAERO c1ccc([C@@H]2C[N@H+]3CC[C@@H]3c3ccccc32)cc1 ZINC000001537032 352600198 /nfs/dbraw/zinc/60/01/98/352600198.db2.gz ZPPKVPYQLWTSIK-DLBZAZTESA-N 1 0 235.330 3.579 10 0 BHAERO [NH3+]C1(c2cc3ccccc3s2)CCCC1 ZINC000001657608 181334112 /nfs/dbraw/zinc/33/41/12/181334112.db2.gz CHUXWBUYFQVPQD-UHFFFAOYSA-N 1 0 217.337 3.629 10 0 in-vivo BHAERO CC(C)(C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000001698139 368683790 /nfs/dbraw/zinc/68/37/90/368683790.db2.gz KVJSLXZYVGZCMY-UHFFFAOYSA-N 1 0 209.377 3.593 10 0 BHAERO Cc1ccc2c(c1)-c1cccc3c1[C@H](C2)[N@H+](C)CC3 ZINC000001844037 342712908 /nfs/dbraw/zinc/71/29/08/342712908.db2.gz VUYKJMZDCAQKIO-KRWDZBQOSA-N 1 0 249.357 3.747 10 0 BHAERO c1[nH]c2cccc3c2c1CC[NH+]=C3c1ccccc1 ZINC000001997203 355703876 /nfs/dbraw/zinc/70/38/76/355703876.db2.gz PJXLTLYKMRZKEE-UHFFFAOYSA-N 1 0 246.313 3.561 10 0 BHAERO C[C@@H](CC[NH+](C)C)c1cccc2ccccc21 ZINC000002013205 342714440 /nfs/dbraw/zinc/71/44/40/342714440.db2.gz VSHCVDNCTJJPDK-ZDUSSCGKSA-N 1 0 227.351 3.895 10 0 BHAERO C[C@H](CC[NH+](C)C)c1cccc2ccccc21 ZINC000002013206 176626214 /nfs/dbraw/zinc/62/62/14/176626214.db2.gz VSHCVDNCTJJPDK-CYBMUJFWSA-N 1 0 227.351 3.895 10 0 BHAERO C[N@@H+]1CCC[C@@H]1c1c[nH]c2cccc(Cl)c21 ZINC000002016820 362381277 /nfs/dbraw/zinc/38/12/77/362381277.db2.gz ROUPHMNZHLBCGO-GFCCVEGCSA-N 1 0 234.730 3.588 10 0 BHAERO C[N@@H+]1[C@@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016824 342714392 /nfs/dbraw/zinc/71/43/92/342714392.db2.gz CTLWQMICLDLMLR-CQSZACIVSA-N 1 0 228.339 3.713 10 0 BHAERO C[N@@H+]1CCC[C@H]1c1c[nH]c2ccc(Cl)cc21 ZINC000002016854 368736431 /nfs/dbraw/zinc/73/64/31/368736431.db2.gz KSVBDCVNOLOLNW-ZDUSSCGKSA-N 1 0 234.730 3.588 10 0 BHAERO Cc1cc([C@@H](C)[NH3+])ccc1OC1CCCCC1 ZINC000002017052 178221037 /nfs/dbraw/zinc/22/10/37/178221037.db2.gz UMCUMNQXGBNPRH-GFCCVEGCSA-N 1 0 233.355 3.726 10 0 BHAERO Cc1cc([C@H](C)[NH3+])ccc1OC1CCCCC1 ZINC000002017053 178243858 /nfs/dbraw/zinc/24/38/58/178243858.db2.gz UMCUMNQXGBNPRH-LBPRGKRZSA-N 1 0 233.355 3.726 10 0 BHAERO C(\c1ccccc1)=C1\CCCC[C@@H]1[NH+]1CCC1 ZINC000002017729 383942801 /nfs/dbraw/zinc/94/28/01/383942801.db2.gz DOWWDQZIFWLREB-MDJJKAFGSA-N 1 0 227.351 3.718 10 0 in-man BHAERO C[NH+](C)C[C@H]1C2CCC(CC2)[C@H]1c1ccccc1 ZINC000002032415 172494399 /nfs/dbraw/zinc/49/43/99/172494399.db2.gz XQGAMWDOCIXVRB-MHVXSEJMSA-N 1 0 243.394 3.768 10 0 BHAERO C[NH+](C)[C@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000002037189 342714836 /nfs/dbraw/zinc/71/48/36/342714836.db2.gz GAVBHVRHVQMWEI-IRXDYDNUSA-N 1 0 237.346 3.825 10 0 in-man BHAERO C[NH+](C)[C@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000002037190 172542036 /nfs/dbraw/zinc/54/20/36/172542036.db2.gz GAVBHVRHVQMWEI-SJORKVTESA-N 1 0 237.346 3.825 10 0 in-man BHAERO C[NH+](C)[C@@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000002037191 351910785 /nfs/dbraw/zinc/91/07/85/351910785.db2.gz GAVBHVRHVQMWEI-IAGOWNOFSA-N 1 0 237.346 3.825 10 0 in-man BHAERO CCCOc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000002127710 169316213 /nfs/dbraw/zinc/31/62/13/169316213.db2.gz DIPIRGKNWOVGMB-UHFFFAOYSA-N 1 0 241.334 3.601 10 0 BHAERO CCCOc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000002127860 169316473 /nfs/dbraw/zinc/31/64/73/169316473.db2.gz WPBFPUQVHFPVHM-UHFFFAOYSA-N 1 0 241.334 3.601 10 0 BHAERO CCCOc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000002136331 169316421 /nfs/dbraw/zinc/31/64/21/169316421.db2.gz RQUBXYALSWYURH-UHFFFAOYSA-N 1 0 241.334 3.601 10 0 BHAERO Cc1c(C)c(C)c(C[n+]2ccccc2)c(C)c1C ZINC000002380456 177575010 /nfs/dbraw/zinc/57/50/10/177575010.db2.gz DQTDJVDPDPKPMH-UHFFFAOYSA-N 1 0 240.370 3.565 10 0 BHAERO CCC[N@@H+]1CCC[C@H](c2ccc(C)c(C)c2)C1 ZINC000002384259 169199027 /nfs/dbraw/zinc/19/90/27/169199027.db2.gz WKCUEEXFTZSNLI-INIZCTEOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CC(C)C[C@H]([NH3+])Cc1csc2ccccc12 ZINC000002534118 528555334 /nfs/dbraw/zinc/55/53/34/528555334.db2.gz SQVIRRDNQUNDOB-LBPRGKRZSA-N 1 0 233.380 3.817 10 0 BHAERO c1ccc2c(c1)CCCc1c[n+]3ccccc3cc1-2 ZINC000002556133 183443025 /nfs/dbraw/zinc/44/30/25/183443025.db2.gz KRZOGNCQNSDOHN-UHFFFAOYSA-N 1 0 246.333 3.581 10 0 BHAERO C[NH2+]Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000002576560 173389938 /nfs/dbraw/zinc/38/99/38/173389938.db2.gz UBQXDHSWRVUFNU-UHFFFAOYSA-N 1 0 247.725 3.852 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002576562 173389073 /nfs/dbraw/zinc/38/90/73/173389073.db2.gz CWPQXRXPNUOBQC-UHFFFAOYSA-N 1 0 247.725 3.852 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccc(C)cc2)cc1 ZINC000002576564 173389061 /nfs/dbraw/zinc/38/90/61/173389061.db2.gz AFUYTYCPGYFDCH-UHFFFAOYSA-N 1 0 227.307 3.507 10 0 BHAERO C[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000002576575 187246122 /nfs/dbraw/zinc/24/61/22/187246122.db2.gz ANZTZYWSSFVSJR-UHFFFAOYSA-N 1 0 231.726 3.726 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccccc2Cl)cc1 ZINC000002576583 173388147 /nfs/dbraw/zinc/38/81/47/173388147.db2.gz PDBHCSKBQHTMMO-UHFFFAOYSA-N 1 0 231.726 3.726 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000002576584 173388294 /nfs/dbraw/zinc/38/82/94/173388294.db2.gz SQULDDZAAPHJGM-UHFFFAOYSA-N 1 0 237.755 3.788 10 0 BHAERO CCN(CC)[PH+](OC(C)(C)C)N(CC)CC ZINC000002576810 169793103 /nfs/dbraw/zinc/79/31/03/169793103.db2.gz OTBZBDJLDICQBF-UHFFFAOYSA-N 1 0 248.351 3.712 10 0 BHAERO c1ccc2c(c1)cccc2[C@@H]1CCCC[NH2+]1 ZINC000002577418 388345668 /nfs/dbraw/zinc/34/56/68/388345668.db2.gz ZAXNEWZFDOOIHZ-HNNXBMFYSA-N 1 0 211.308 3.654 10 0 BHAERO CCCC[C@H](CC)[C@H]1OCC[N@@H+]1CCCC ZINC000003137674 169001443 /nfs/dbraw/zinc/00/14/43/169001443.db2.gz CYMHAQCMKNVHPA-UONOGXRCSA-N 1 0 227.392 3.661 10 0 BHAERO CC(C)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000003599135 167139678 /nfs/dbraw/zinc/13/96/78/167139678.db2.gz RGRISJFOBIMSBP-CABCVRRESA-N 1 0 217.356 3.711 10 0 BHAERO CC(C)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000003599137 167139998 /nfs/dbraw/zinc/13/99/98/167139998.db2.gz RGRISJFOBIMSBP-GJZGRUSLSA-N 1 0 217.356 3.711 10 0 BHAERO CCC[N@@H+]1CC[C@@](CCC)(c2cccc(O)c2)C1 ZINC000003603570 169207291 /nfs/dbraw/zinc/20/72/91/169207291.db2.gz JZPVDDWSEXZWJH-MRXNPFEDSA-N 1 0 247.382 3.546 10 0 BHAERO CCC[N@@H+]1CC[C@](CCC)(c2cccc(O)c2)C1 ZINC000003603572 169209460 /nfs/dbraw/zinc/20/94/60/169209460.db2.gz JZPVDDWSEXZWJH-INIZCTEOSA-N 1 0 247.382 3.546 10 0 BHAERO CC[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000003619300 170111786 /nfs/dbraw/zinc/11/17/86/170111786.db2.gz PHTBPSUXRQGGDN-UHFFFAOYSA-N 1 0 239.362 3.818 10 0 BHAERO c1ccc([C@@H]2c3ccccc3[C@@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000003629763 342735198 /nfs/dbraw/zinc/73/51/98/342735198.db2.gz SZHZTVQTASRAPD-KURKYZTESA-N 1 0 249.357 3.873 10 0 BHAERO CC[NH+]1Cc2ccccc2Cc2ccccc2C1 ZINC000003631253 358510367 /nfs/dbraw/zinc/51/03/67/358510367.db2.gz PKNLOWIVOIKFAP-UHFFFAOYSA-N 1 0 237.346 3.613 10 0 BHAERO CCCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000003636778 388588190 /nfs/dbraw/zinc/58/81/90/388588190.db2.gz XMEQYUOZRYWGKJ-UHFFFAOYSA-N 1 0 240.350 3.936 10 0 BHAERO C(C1CC1)[N@@H+]1CCCC12C1CC3CC(C1)CC2C3 ZINC000003637386 188101696 /nfs/dbraw/zinc/10/16/96/188101696.db2.gz QMOAJZCVNGQOMI-UHFFFAOYSA-N 1 0 245.410 3.687 10 0 BHAERO CCCCc1cccc(CCCC)c1C[NH3+] ZINC000003651285 219808735 /nfs/dbraw/zinc/80/87/35/219808735.db2.gz GAQYFULXZZOXJZ-UHFFFAOYSA-N 1 0 219.372 3.831 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1ccc(Cl)cc1 ZINC000003652108 538952502 /nfs/dbraw/zinc/95/25/02/538952502.db2.gz PZJBWSQQDMRZHY-CUOATXAZSA-N 1 0 235.758 3.584 10 0 in-man BHAERO C[C@@H]1C[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000003704225 384022538 /nfs/dbraw/zinc/02/25/38/384022538.db2.gz CFBJCTPZAFAKJN-CPCISQLKSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000003704226 187927885 /nfs/dbraw/zinc/92/78/85/187927885.db2.gz CFBJCTPZAFAKJN-HQJQHLMTSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000003704227 176330871 /nfs/dbraw/zinc/33/08/71/176330871.db2.gz CFBJCTPZAFAKJN-WRWORJQWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000003704228 187246006 /nfs/dbraw/zinc/24/60/06/187246006.db2.gz CFBJCTPZAFAKJN-RDDDGLTNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000003704229 188456543 /nfs/dbraw/zinc/45/65/43/188456543.db2.gz JQMFDHOHLLOJST-CPCISQLKSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000003704230 177286569 /nfs/dbraw/zinc/28/65/69/177286569.db2.gz JQMFDHOHLLOJST-HQJQHLMTSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000003704231 176330814 /nfs/dbraw/zinc/33/08/14/176330814.db2.gz JQMFDHOHLLOJST-WRWORJQWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000003704232 188275840 /nfs/dbraw/zinc/27/58/40/188275840.db2.gz JQMFDHOHLLOJST-RDDDGLTNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000003704233 342736610 /nfs/dbraw/zinc/73/66/10/342736610.db2.gz XUKGNXQYIHOSNI-CPCISQLKSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000003704234 177286681 /nfs/dbraw/zinc/28/66/81/177286681.db2.gz XUKGNXQYIHOSNI-HQJQHLMTSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000003704235 176330758 /nfs/dbraw/zinc/33/07/58/176330758.db2.gz XUKGNXQYIHOSNI-WRWORJQWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000003704236 384022031 /nfs/dbraw/zinc/02/20/31/384022031.db2.gz XUKGNXQYIHOSNI-RDDDGLTNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2cccc3ccccc32)C1 ZINC000003704353 176331113 /nfs/dbraw/zinc/33/11/13/176331113.db2.gz DEKCIWTVODBUOP-NHYWBVRUSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2cccc3ccccc32)C1 ZINC000003704354 384022460 /nfs/dbraw/zinc/02/24/60/384022460.db2.gz DEKCIWTVODBUOP-ABAIWWIYSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2cccc3ccccc32)C1 ZINC000003704355 176330718 /nfs/dbraw/zinc/33/07/18/176330718.db2.gz DEKCIWTVODBUOP-XHDPSFHLSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2cccc3ccccc32)C1 ZINC000003704356 342736630 /nfs/dbraw/zinc/73/66/30/342736630.db2.gz DEKCIWTVODBUOP-IAQYHMDHSA-N 1 0 211.308 3.510 10 0 BHAERO COc1cc(C)c([C@H]2C[C@@H](C)C[NH2+]2)cc1C(C)C ZINC000003704445 342736566 /nfs/dbraw/zinc/73/65/66/342736566.db2.gz WIFMQQSSQVMEKC-IAQYHMDHSA-N 1 0 247.382 3.798 10 0 BHAERO COc1cc(C)c([C@@H]2C[C@@H](C)C[NH2+]2)cc1C(C)C ZINC000003704446 174962176 /nfs/dbraw/zinc/96/21/76/174962176.db2.gz WIFMQQSSQVMEKC-ABAIWWIYSA-N 1 0 247.382 3.798 10 0 BHAERO COc1cc(C)c([C@H]2C[C@H](C)C[NH2+]2)cc1C(C)C ZINC000003704447 342736704 /nfs/dbraw/zinc/73/67/04/342736704.db2.gz WIFMQQSSQVMEKC-XHDPSFHLSA-N 1 0 247.382 3.798 10 0 BHAERO COc1cc(C)c([C@@H]2C[C@H](C)C[NH2+]2)cc1C(C)C ZINC000003704448 342736564 /nfs/dbraw/zinc/73/65/64/342736564.db2.gz WIFMQQSSQVMEKC-NHYWBVRUSA-N 1 0 247.382 3.798 10 0 BHAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1C(C)(C)C ZINC000003704944 175185118 /nfs/dbraw/zinc/18/51/18/175185118.db2.gz VEBBZSWXHDIGKJ-FZMZJTMJSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1C(C)(C)C ZINC000003704945 175184105 /nfs/dbraw/zinc/18/41/05/175184105.db2.gz VEBBZSWXHDIGKJ-RISCZKNCSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1C(C)(C)C ZINC000003704946 175198301 /nfs/dbraw/zinc/19/83/01/175198301.db2.gz VEBBZSWXHDIGKJ-SMDDNHRTSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1C(C)(C)C ZINC000003704947 175197154 /nfs/dbraw/zinc/19/71/54/175197154.db2.gz VEBBZSWXHDIGKJ-BXUZGUMPSA-N 1 0 247.382 3.663 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2ccc3ccccc3c2)C1 ZINC000003704952 384022440 /nfs/dbraw/zinc/02/24/40/384022440.db2.gz HDSNICLFHADHIW-NHYWBVRUSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2ccc3ccccc3c2)C1 ZINC000003704953 188101563 /nfs/dbraw/zinc/10/15/63/188101563.db2.gz HDSNICLFHADHIW-ABAIWWIYSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2ccc3ccccc3c2)C1 ZINC000003704954 176330511 /nfs/dbraw/zinc/33/05/11/176330511.db2.gz HDSNICLFHADHIW-XHDPSFHLSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2ccc3ccccc3c2)C1 ZINC000003704955 187410610 /nfs/dbraw/zinc/41/06/10/187410610.db2.gz HDSNICLFHADHIW-IAQYHMDHSA-N 1 0 211.308 3.510 10 0 BHAERO Cc1cc([C@H]2C[C@@H](C)C[NH2+]2)cc(C(C)(C)C)c1 ZINC000003704976 178268315 /nfs/dbraw/zinc/26/83/15/178268315.db2.gz YVSSWUKFSOBPKX-IUODEOHRSA-N 1 0 231.383 3.963 10 0 BHAERO Cc1cc([C@@H]2C[C@@H](C)C[NH2+]2)cc(C(C)(C)C)c1 ZINC000003704977 178242414 /nfs/dbraw/zinc/24/24/14/178242414.db2.gz YVSSWUKFSOBPKX-DOMZBBRYSA-N 1 0 231.383 3.963 10 0 BHAERO Cc1cc([C@H]2C[C@H](C)C[NH2+]2)cc(C(C)(C)C)c1 ZINC000003704978 178268211 /nfs/dbraw/zinc/26/82/11/178268211.db2.gz YVSSWUKFSOBPKX-SWLSCSKDSA-N 1 0 231.383 3.963 10 0 BHAERO Cc1cc([C@@H]2C[C@H](C)C[NH2+]2)cc(C(C)(C)C)c1 ZINC000003704979 178243016 /nfs/dbraw/zinc/24/30/16/178243016.db2.gz YVSSWUKFSOBPKX-WFASDCNBSA-N 1 0 231.383 3.963 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000003704980 342736929 /nfs/dbraw/zinc/73/69/29/342736929.db2.gz IRDKESLXCDHQMP-FZMZJTMJSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000003704981 177286456 /nfs/dbraw/zinc/28/64/56/177286456.db2.gz IRDKESLXCDHQMP-RISCZKNCSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000003704982 176330928 /nfs/dbraw/zinc/33/09/28/176330928.db2.gz IRDKESLXCDHQMP-SMDDNHRTSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000003704983 188275405 /nfs/dbraw/zinc/27/54/05/188275405.db2.gz IRDKESLXCDHQMP-BXUZGUMPSA-N 1 0 217.356 3.655 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705012 175067477 /nfs/dbraw/zinc/06/74/77/175067477.db2.gz CMSYMUWKNPTQLE-FZMZJTMJSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705013 175067644 /nfs/dbraw/zinc/06/76/44/175067644.db2.gz CMSYMUWKNPTQLE-RISCZKNCSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705014 175067490 /nfs/dbraw/zinc/06/74/90/175067490.db2.gz CMSYMUWKNPTQLE-SMDDNHRTSA-N 1 0 247.382 3.663 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705015 175068138 /nfs/dbraw/zinc/06/81/38/175068138.db2.gz CMSYMUWKNPTQLE-BXUZGUMPSA-N 1 0 247.382 3.663 10 0 BHAERO CCOc1ccc([C@H]2C[C@@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705056 170565441 /nfs/dbraw/zinc/56/54/41/170565441.db2.gz NTKNQVZFJITTAA-MLGOLLRUSA-N 1 0 247.382 3.879 10 0 BHAERO CCOc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705057 342737013 /nfs/dbraw/zinc/73/70/13/342737013.db2.gz NTKNQVZFJITTAA-WBMJQRKESA-N 1 0 247.382 3.879 10 0 BHAERO CCOc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705058 170564732 /nfs/dbraw/zinc/56/47/32/170564732.db2.gz NTKNQVZFJITTAA-BLLLJJGKSA-N 1 0 247.382 3.879 10 0 BHAERO CCOc1ccc([C@@H]2C[C@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705059 342736905 /nfs/dbraw/zinc/73/69/05/342736905.db2.gz NTKNQVZFJITTAA-LRDDRELGSA-N 1 0 247.382 3.879 10 0 BHAERO CCCCOc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705108 384023268 /nfs/dbraw/zinc/02/32/68/384023268.db2.gz FBIPBFPEQOCIIR-IUODEOHRSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705109 187246107 /nfs/dbraw/zinc/24/61/07/187246107.db2.gz FBIPBFPEQOCIIR-DOMZBBRYSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705110 188101836 /nfs/dbraw/zinc/10/18/36/188101836.db2.gz FBIPBFPEQOCIIR-SWLSCSKDSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705111 219808995 /nfs/dbraw/zinc/80/89/95/219808995.db2.gz FBIPBFPEQOCIIR-WFASDCNBSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCCOc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705112 168731475 /nfs/dbraw/zinc/73/14/75/168731475.db2.gz IYAIXUVVVLPZKU-CZUORRHYSA-N 1 0 247.382 3.926 10 0 BHAERO CCCCCOc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705113 342736969 /nfs/dbraw/zinc/73/69/69/342736969.db2.gz IYAIXUVVVLPZKU-CJNGLKHVSA-N 1 0 247.382 3.926 10 0 BHAERO CCCCCOc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705114 342736839 /nfs/dbraw/zinc/73/68/39/342736839.db2.gz IYAIXUVVVLPZKU-XJKSGUPXSA-N 1 0 247.382 3.926 10 0 BHAERO CCCCCOc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705115 342736936 /nfs/dbraw/zinc/73/69/36/342736936.db2.gz IYAIXUVVVLPZKU-BBRMVZONSA-N 1 0 247.382 3.926 10 0 BHAERO CCCCOc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003705160 342736892 /nfs/dbraw/zinc/73/68/92/342736892.db2.gz LBXCSMFFTDTTKY-IUODEOHRSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003705161 342736879 /nfs/dbraw/zinc/73/68/79/342736879.db2.gz LBXCSMFFTDTTKY-DOMZBBRYSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003705162 342736915 /nfs/dbraw/zinc/73/69/15/342736915.db2.gz LBXCSMFFTDTTKY-SWLSCSKDSA-N 1 0 233.355 3.536 10 0 BHAERO CCCCOc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003705163 342736913 /nfs/dbraw/zinc/73/69/13/342736913.db2.gz LBXCSMFFTDTTKY-WFASDCNBSA-N 1 0 233.355 3.536 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2c(Cl)cccc2Cl)C1 ZINC000003705180 188101711 /nfs/dbraw/zinc/10/17/11/188101711.db2.gz MQFOXRPPOLGZNZ-XVKPBYJWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2c(Cl)cccc2Cl)C1 ZINC000003705181 177286485 /nfs/dbraw/zinc/28/64/85/177286485.db2.gz MQFOXRPPOLGZNZ-XCBNKYQSSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2c(Cl)cccc2Cl)C1 ZINC000003705182 176330874 /nfs/dbraw/zinc/33/08/74/176330874.db2.gz MQFOXRPPOLGZNZ-OIBJUYFYSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2c(Cl)cccc2Cl)C1 ZINC000003705183 188275370 /nfs/dbraw/zinc/27/53/70/188275370.db2.gz MQFOXRPPOLGZNZ-GMSGAONNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2cccc(Cl)c2Cl)C1 ZINC000003705264 176331175 /nfs/dbraw/zinc/33/11/75/176331175.db2.gz DIAGUHURTABACS-XVKPBYJWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2cccc(Cl)c2Cl)C1 ZINC000003705265 187410854 /nfs/dbraw/zinc/41/08/54/187410854.db2.gz DIAGUHURTABACS-XCBNKYQSSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2cccc(Cl)c2Cl)C1 ZINC000003705266 176330907 /nfs/dbraw/zinc/33/09/07/176330907.db2.gz DIAGUHURTABACS-OIBJUYFYSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2cccc(Cl)c2Cl)C1 ZINC000003705267 188275260 /nfs/dbraw/zinc/27/52/60/188275260.db2.gz DIAGUHURTABACS-GMSGAONNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000003705280 188457020 /nfs/dbraw/zinc/45/70/20/188457020.db2.gz OBISWTOXSAENPM-CPCISQLKSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000003705281 187411137 /nfs/dbraw/zinc/41/11/37/187411137.db2.gz OBISWTOXSAENPM-HQJQHLMTSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000003705282 176330739 /nfs/dbraw/zinc/33/07/39/176330739.db2.gz OBISWTOXSAENPM-WRWORJQWSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000003705283 384023595 /nfs/dbraw/zinc/02/35/95/384023595.db2.gz OBISWTOXSAENPM-RDDDGLTNSA-N 1 0 230.138 3.664 10 0 BHAERO C[C@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000003705348 372056383 /nfs/dbraw/zinc/05/63/83/372056383.db2.gz DXVXJBIYNRRYKW-YFKPBYRVSA-N 1 0 230.094 3.759 10 0 BHAERO C[C@@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000003705349 388386301 /nfs/dbraw/zinc/38/63/01/388386301.db2.gz DXVXJBIYNRRYKW-RXMQYKEDSA-N 1 0 230.094 3.759 10 0 BHAERO Cc1cc([C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000003705528 178220404 /nfs/dbraw/zinc/22/04/04/178220404.db2.gz ZYWAVOJASHNXNR-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cc([C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000003705529 178244231 /nfs/dbraw/zinc/24/42/31/178244231.db2.gz ZYWAVOJASHNXNR-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cc(OCc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000003705570 178212282 /nfs/dbraw/zinc/21/22/82/178212282.db2.gz MDWXRTHTOCWRDM-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cc(OCc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000003705571 178211972 /nfs/dbraw/zinc/21/19/72/178211972.db2.gz MDWXRTHTOCWRDM-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cc(C)c(-c2csc([C@@H](C)[NH3+])n2)c(C)c1 ZINC000003708726 385925118 /nfs/dbraw/zinc/92/51/18/385925118.db2.gz DQIYVCSGGSDUKL-LLVKDONJSA-N 1 0 246.379 3.755 10 0 BHAERO CC(C)c1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1 ZINC000003708728 350122681 /nfs/dbraw/zinc/12/26/81/350122681.db2.gz NELLUNSJRMSSEG-SNVBAGLBSA-N 1 0 246.379 3.953 10 0 BHAERO Cc1cc(C)c(-c2csc([C@@H](C)[NH3+])n2)cc1C ZINC000003708740 177835382 /nfs/dbraw/zinc/83/53/82/177835382.db2.gz NVXFPPXKWKMCSH-LLVKDONJSA-N 1 0 246.379 3.755 10 0 BHAERO CCCc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1 ZINC000003708744 356042439 /nfs/dbraw/zinc/04/24/39/356042439.db2.gz VMFOMGIGGBWGMC-SNVBAGLBSA-N 1 0 246.379 3.782 10 0 BHAERO C[C@H]([NH3+])c1nc(-c2ccc(Cl)s2)cs1 ZINC000003709076 350844978 /nfs/dbraw/zinc/84/49/78/350844978.db2.gz YYAMSMQYXQWKHG-YFKPBYRVSA-N 1 0 244.772 3.545 10 0 BHAERO C[C@@H]([NH3+])c1nc(-c2ccc(Cl)s2)cs1 ZINC000003709077 386702657 /nfs/dbraw/zinc/70/26/57/386702657.db2.gz YYAMSMQYXQWKHG-RXMQYKEDSA-N 1 0 244.772 3.545 10 0 BHAERO CC(C)(C)c1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000003709648 188101986 /nfs/dbraw/zinc/10/19/86/188101986.db2.gz JWGYIIDHNSSCKK-UHFFFAOYSA-N 1 0 246.379 3.566 10 0 BHAERO c1ccc(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000003732402 183379810 /nfs/dbraw/zinc/37/98/10/183379810.db2.gz CTPIOPMMGOMWDR-QGZVFWFLSA-N 1 0 237.346 3.648 10 0 BHAERO c1ccc(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000003732403 183379805 /nfs/dbraw/zinc/37/98/05/183379805.db2.gz CTPIOPMMGOMWDR-KRWDZBQOSA-N 1 0 237.346 3.648 10 0 BHAERO FC(F)(F)c1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1 ZINC000003732411 372058252 /nfs/dbraw/zinc/05/82/52/372058252.db2.gz BYUYOLSCIFICBO-JTQLQIEISA-N 1 0 249.663 3.783 10 0 BHAERO Cc1ccc([C@H]2CCC[NH2+]2)c2ccccc12 ZINC000003732465 350870683 /nfs/dbraw/zinc/87/06/83/350870683.db2.gz MNNZRIYQLJYSCI-OAHLLOKOSA-N 1 0 211.308 3.573 10 0 BHAERO Cc1ccc([C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000003732466 178871893 /nfs/dbraw/zinc/87/18/93/178871893.db2.gz MNNZRIYQLJYSCI-HNNXBMFYSA-N 1 0 211.308 3.573 10 0 BHAERO c1ccc(C[C@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC000003732524 384026132 /nfs/dbraw/zinc/02/61/32/384026132.db2.gz AAHAZKSZTLKSOV-SJORKVTESA-N 1 0 237.346 3.580 10 0 BHAERO c1ccc(C[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC000003732525 384025574 /nfs/dbraw/zinc/02/55/74/384025574.db2.gz AAHAZKSZTLKSOV-IRXDYDNUSA-N 1 0 237.346 3.580 10 0 BHAERO c1ccc(C[C@H]2CC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000003732526 183410864 /nfs/dbraw/zinc/41/08/64/183410864.db2.gz AAHAZKSZTLKSOV-IAGOWNOFSA-N 1 0 237.346 3.580 10 0 BHAERO c1ccc(C[C@@H]2CC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000003732527 384024633 /nfs/dbraw/zinc/02/46/33/384024633.db2.gz AAHAZKSZTLKSOV-DLBZAZTESA-N 1 0 237.346 3.580 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1c1cccc2ccccc21 ZINC000003733297 342737169 /nfs/dbraw/zinc/73/71/69/342737169.db2.gz ZQLGPMFUELNVPP-BLLLJJGKSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1cccc2ccccc21 ZINC000003733298 171027476 /nfs/dbraw/zinc/02/74/76/171027476.db2.gz ZQLGPMFUELNVPP-MLGOLLRUSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1c1cccc2ccccc21 ZINC000003733299 171639040 /nfs/dbraw/zinc/63/90/40/171639040.db2.gz ZQLGPMFUELNVPP-LRDDRELGSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1cccc2ccccc21 ZINC000003733300 171027547 /nfs/dbraw/zinc/02/75/47/171027547.db2.gz ZQLGPMFUELNVPP-WBMJQRKESA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@H](c1ccccc1)[C@@H]1[NH2+]CC[C@H]1CC ZINC000003733305 350083452 /nfs/dbraw/zinc/08/34/52/350083452.db2.gz TXYWEWYKMXZZNL-BPLDGKMQSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1c1c(C)cc(C)cc1C ZINC000003733334 171639626 /nfs/dbraw/zinc/63/96/26/171639626.db2.gz VUJZDVRWUALHAK-DZGCQCFKSA-N 1 0 217.356 3.672 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1c(C)cc(C)cc1C ZINC000003733335 171026648 /nfs/dbraw/zinc/02/66/48/171026648.db2.gz VUJZDVRWUALHAK-UKRRQHHQSA-N 1 0 217.356 3.672 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1c1c(C)cc(C)cc1C ZINC000003733336 342737181 /nfs/dbraw/zinc/73/71/81/342737181.db2.gz VUJZDVRWUALHAK-ZFWWWQNUSA-N 1 0 217.356 3.672 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1c(C)cc(C)cc1C ZINC000003733337 171026908 /nfs/dbraw/zinc/02/69/08/171026908.db2.gz VUJZDVRWUALHAK-HIFRSBDPSA-N 1 0 217.356 3.672 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1CCC1CCCCC1 ZINC000003733406 342737124 /nfs/dbraw/zinc/73/71/24/342737124.db2.gz DZLGDUIZCARBKV-KBPBESRZSA-N 1 0 209.377 3.735 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1CCC1CCCCC1 ZINC000003733407 171026528 /nfs/dbraw/zinc/02/65/28/171026528.db2.gz DZLGDUIZCARBKV-KGLIPLIRSA-N 1 0 209.377 3.735 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1CCC1CCCCC1 ZINC000003733408 171639486 /nfs/dbraw/zinc/63/94/86/171639486.db2.gz DZLGDUIZCARBKV-UONOGXRCSA-N 1 0 209.377 3.735 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1CCC1CCCCC1 ZINC000003733409 171027407 /nfs/dbraw/zinc/02/74/07/171027407.db2.gz DZLGDUIZCARBKV-ZIAGYGMSSA-N 1 0 209.377 3.735 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1c1ccc2ccccc2c1 ZINC000003733418 342737200 /nfs/dbraw/zinc/73/72/00/342737200.db2.gz BZWCZVHDDNQNPK-BLLLJJGKSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc2ccccc2c1 ZINC000003733419 171026272 /nfs/dbraw/zinc/02/62/72/171026272.db2.gz BZWCZVHDDNQNPK-MLGOLLRUSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1c1ccc2ccccc2c1 ZINC000003733420 342737179 /nfs/dbraw/zinc/73/71/79/342737179.db2.gz BZWCZVHDDNQNPK-LRDDRELGSA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc2ccccc2c1 ZINC000003733421 171027647 /nfs/dbraw/zinc/02/76/47/171027647.db2.gz BZWCZVHDDNQNPK-WBMJQRKESA-N 1 0 225.335 3.900 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000003733426 171639591 /nfs/dbraw/zinc/63/95/91/171639591.db2.gz QNDWRTKGFMKQIG-JOYOIKCWSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000003733427 171027405 /nfs/dbraw/zinc/02/74/05/171027405.db2.gz QNDWRTKGFMKQIG-BXKDBHETSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000003733429 171026289 /nfs/dbraw/zinc/02/62/89/171026289.db2.gz QNDWRTKGFMKQIG-SKDRFNHKSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1ccccc1C(F)(F)F ZINC000003733489 171027792 /nfs/dbraw/zinc/02/77/92/171027792.db2.gz NEVCWXJJQWNJFQ-BXKDBHETSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccccc1C(F)(F)F ZINC000003733491 171026536 /nfs/dbraw/zinc/02/65/36/171026536.db2.gz NEVCWXJJQWNJFQ-SKDRFNHKSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000003733493 171027415 /nfs/dbraw/zinc/02/74/15/171027415.db2.gz LHQODGIWPWCKDU-BXKDBHETSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000003733494 171638950 /nfs/dbraw/zinc/63/89/50/171638950.db2.gz LHQODGIWPWCKDU-CABZTGNLSA-N 1 0 243.272 3.766 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000003733495 171027857 /nfs/dbraw/zinc/02/78/57/171027857.db2.gz LHQODGIWPWCKDU-SKDRFNHKSA-N 1 0 243.272 3.766 10 0 BHAERO C[C@H]1CC[NH2+][C@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733626 177176403 /nfs/dbraw/zinc/17/64/03/177176403.db2.gz BMBYFUJZBBSNLR-SMDDNHRTSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@@H]1CC[NH2+][C@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733627 176187542 /nfs/dbraw/zinc/18/75/42/176187542.db2.gz BMBYFUJZBBSNLR-BXUZGUMPSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@H]1CC[NH2+][C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733628 177175712 /nfs/dbraw/zinc/17/57/12/177175712.db2.gz BMBYFUJZBBSNLR-FZMZJTMJSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@@H]1CC[NH2+][C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733629 176186160 /nfs/dbraw/zinc/18/61/60/176186160.db2.gz BMBYFUJZBBSNLR-RISCZKNCSA-N 1 0 217.356 3.655 10 0 BHAERO C[C@H]1CC[NH2+][C@H]1c1cccc2ccccc21 ZINC000003733813 177176476 /nfs/dbraw/zinc/17/64/76/177176476.db2.gz QFVRRGIVSVDHSM-XHDPSFHLSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1CC[NH2+][C@H]1c1cccc2ccccc21 ZINC000003733814 176187183 /nfs/dbraw/zinc/18/71/83/176187183.db2.gz QFVRRGIVSVDHSM-IAQYHMDHSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1CC[NH2+][C@@H]1c1cccc2ccccc21 ZINC000003733815 177175129 /nfs/dbraw/zinc/17/51/29/177175129.db2.gz QFVRRGIVSVDHSM-NHYWBVRUSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1CC[NH2+][C@@H]1c1cccc2ccccc21 ZINC000003733816 176186166 /nfs/dbraw/zinc/18/61/66/176186166.db2.gz QFVRRGIVSVDHSM-ABAIWWIYSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1CC[NH2+][C@H]1c1ccc2ccccc2c1 ZINC000003733934 177176159 /nfs/dbraw/zinc/17/61/59/177176159.db2.gz WPWNHQMZSXADNF-XHDPSFHLSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1CC[NH2+][C@H]1c1ccc2ccccc2c1 ZINC000003733935 176187166 /nfs/dbraw/zinc/18/71/66/176187166.db2.gz WPWNHQMZSXADNF-IAQYHMDHSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1CC[NH2+][C@@H]1c1ccc2ccccc2c1 ZINC000003733936 177175742 /nfs/dbraw/zinc/17/57/42/177175742.db2.gz WPWNHQMZSXADNF-NHYWBVRUSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@@H]1CC[NH2+][C@@H]1c1ccc2ccccc2c1 ZINC000003733937 176186277 /nfs/dbraw/zinc/18/62/77/176186277.db2.gz WPWNHQMZSXADNF-ABAIWWIYSA-N 1 0 211.308 3.510 10 0 BHAERO C[C@H]1CC[NH2+][C@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733978 177176180 /nfs/dbraw/zinc/17/61/80/177176180.db2.gz ZZOKBUUMYZSGDN-GFJIZPEISA-N 1 0 223.404 3.837 10 0 BHAERO C[C@@H]1CC[NH2+][C@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733979 176187115 /nfs/dbraw/zinc/18/71/15/176187115.db2.gz ZZOKBUUMYZSGDN-BLYZHGLHSA-N 1 0 223.404 3.837 10 0 BHAERO C[C@H]1CC[NH2+][C@@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733980 177175132 /nfs/dbraw/zinc/17/51/32/177175132.db2.gz ZZOKBUUMYZSGDN-ABXWRUBCSA-N 1 0 223.404 3.837 10 0 BHAERO C[C@@H]1CC[NH2+][C@@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733981 176185896 /nfs/dbraw/zinc/18/58/96/176185896.db2.gz ZZOKBUUMYZSGDN-RYSNWHEDSA-N 1 0 223.404 3.837 10 0 BHAERO Clc1cccc(Cl)c1[C@H]1CCCC[NH2+]1 ZINC000003734609 350873989 /nfs/dbraw/zinc/87/39/89/350873989.db2.gz RXCNSALARJCPLQ-SNVBAGLBSA-N 1 0 230.138 3.808 10 0 BHAERO Clc1cccc(Cl)c1[C@@H]1CCCC[NH2+]1 ZINC000003734610 350873896 /nfs/dbraw/zinc/87/38/96/350873896.db2.gz RXCNSALARJCPLQ-JTQLQIEISA-N 1 0 230.138 3.808 10 0 BHAERO c1ccc2c(c1)cccc2[C@H]1CCCC[NH2+]1 ZINC000003734637 386852326 /nfs/dbraw/zinc/85/23/26/386852326.db2.gz ZAXNEWZFDOOIHZ-OAHLLOKOSA-N 1 0 211.308 3.654 10 0 BHAERO Clc1ccc(C[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000003734649 180580998 /nfs/dbraw/zinc/58/09/98/180580998.db2.gz LPXIGJOKOQLLAY-NSHDSACASA-N 1 0 244.165 3.678 10 0 BHAERO Clc1ccc([C@H]2CCCC[NH2+]2)cc1Cl ZINC000003734673 350874253 /nfs/dbraw/zinc/87/42/53/350874253.db2.gz KLJKRGFOYGMTOX-LLVKDONJSA-N 1 0 230.138 3.808 10 0 BHAERO Clc1ccc([C@@H]2CCCC[NH2+]2)cc1Cl ZINC000003734674 180584931 /nfs/dbraw/zinc/58/49/31/180584931.db2.gz KLJKRGFOYGMTOX-NSHDSACASA-N 1 0 230.138 3.808 10 0 BHAERO Cc1cc(C)cc([C@H]2CCCCC[NH2+]2)c1 ZINC000003734945 177918209 /nfs/dbraw/zinc/91/82/09/177918209.db2.gz HSOQDNZRCAAWBM-CQSZACIVSA-N 1 0 203.329 3.508 10 0 BHAERO c1ccc(CCC[C@H]2CCCCC[NH2+]2)cc1 ZINC000003734979 183392406 /nfs/dbraw/zinc/39/24/06/183392406.db2.gz ZQLCVLSHGUNHKN-OAHLLOKOSA-N 1 0 217.356 3.542 10 0 BHAERO c1ccc(CCC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000003734980 183391728 /nfs/dbraw/zinc/39/17/28/183391728.db2.gz ZQLCVLSHGUNHKN-HNNXBMFYSA-N 1 0 217.356 3.542 10 0 BHAERO C(C[C@@H]1CCCCC[NH2+]1)C1CCCCC1 ZINC000003735029 188519089 /nfs/dbraw/zinc/51/90/89/188519089.db2.gz QECKOCRKPREEDF-AWEZNQCLSA-N 1 0 209.377 3.879 10 0 BHAERO Clc1ccc([C@H]2CCCCC[NH2+]2)s1 ZINC000003735153 350874190 /nfs/dbraw/zinc/87/41/90/350874190.db2.gz CELCNJLXULPZPS-MRVPVSSYSA-N 1 0 215.749 3.606 10 0 BHAERO Clc1ccc([C@@H]2CCCCC[NH2+]2)s1 ZINC000003735154 350874014 /nfs/dbraw/zinc/87/40/14/350874014.db2.gz CELCNJLXULPZPS-QMMMGPOBSA-N 1 0 215.749 3.606 10 0 BHAERO CC[C@@H](C)c1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000003739182 170805081 /nfs/dbraw/zinc/80/50/81/170805081.db2.gz JSXCHCDUOQCYSA-YGRLFVJLSA-N 1 0 203.329 3.610 10 0 BHAERO CC[C@H](C)c1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739185 171411141 /nfs/dbraw/zinc/41/11/41/171411141.db2.gz JSXCHCDUOQCYSA-IINYFYTJSA-N 1 0 203.329 3.610 10 0 BHAERO CCC(C)(C)c1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000003739240 168305553 /nfs/dbraw/zinc/30/55/53/168305553.db2.gz PTDJAZLGHHNXTD-CQSZACIVSA-N 1 0 217.356 3.784 10 0 BHAERO CCC(C)(C)c1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739241 168306303 /nfs/dbraw/zinc/30/63/03/168306303.db2.gz PTDJAZLGHHNXTD-AWEZNQCLSA-N 1 0 217.356 3.784 10 0 BHAERO [NH3+][C@H](c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000003739271 181629964 /nfs/dbraw/zinc/62/99/64/181629964.db2.gz QBJRADBLKDWLPY-MRXNPFEDSA-N 1 0 223.319 3.763 10 0 BHAERO [NH3+][C@H](c1ccc(Cc2ccccc2)cc1)C1CC1 ZINC000003739329 181629380 /nfs/dbraw/zinc/62/93/80/181629380.db2.gz AYWXMUTYVXSJBN-QGZVFWFLSA-N 1 0 237.346 3.687 10 0 BHAERO [NH3+][C@@H](c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000003739330 181563360 /nfs/dbraw/zinc/56/33/60/181563360.db2.gz HIKTUNRLVSCUBI-MRXNPFEDSA-N 1 0 239.318 3.889 10 0 BHAERO c1ccc([C@H]2C[N@H+]3CC[C@@H]3c3ccccc32)cc1 ZINC000003776681 368882732 /nfs/dbraw/zinc/88/27/32/368882732.db2.gz ZPPKVPYQLWTSIK-IAGOWNOFSA-N 1 0 235.330 3.579 10 0 BHAERO CCCC[N@@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788553 368882371 /nfs/dbraw/zinc/88/23/71/368882371.db2.gz HHEIQDXGHHAKRI-NVXWUHKLSA-N 1 0 243.394 3.838 10 0 BHAERO CNc1cc[nH+]c(C2=Cc3ccccc3CC2)c1 ZINC000003815999 368882773 /nfs/dbraw/zinc/88/27/73/368882773.db2.gz ZIWURGNJCPGIHH-UHFFFAOYSA-N 1 0 236.318 3.610 10 0 BHAERO CC1(C)CC(C)(C)CC2(CCCC[NH2+]2)C1 ZINC000003818216 585100399 /nfs/dbraw/zinc/10/03/99/585100399.db2.gz GDSLUJLJBCXFRY-UHFFFAOYSA-N 1 0 209.377 3.735 10 0 BHAERO C([NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000003895393 368888096 /nfs/dbraw/zinc/88/80/96/368888096.db2.gz ODSBLHYTYRYLTQ-UHFFFAOYSA-N 1 0 233.399 3.689 10 0 BHAERO C[C@H]1C[NH2+]CC[C@H]1c1cccc2ccsc21 ZINC000003933335 177284731 /nfs/dbraw/zinc/28/47/31/177284731.db2.gz CYCXJJLMMCGYPH-CMPLNLGQSA-N 1 0 231.364 3.614 10 0 BHAERO C[C@@H]1CC[C@@H](c2ccoc2)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000004098441 177207063 /nfs/dbraw/zinc/20/70/63/177207063.db2.gz VACYOTYBTLYIEB-NEBZKDRISA-N 1 0 233.355 3.851 10 0 biogenic,in-vitro BHAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000004217502 173438372 /nfs/dbraw/zinc/43/83/72/173438372.db2.gz NVXPZMLRGBVYQV-WMLDXEAASA-N 1 0 237.346 3.873 10 0 in-man BHAERO CC(C)(C)c1ccc(OCC[NH3+])c(C(C)(C)C)c1 ZINC000004227456 187247210 /nfs/dbraw/zinc/24/72/10/187247210.db2.gz HOEMADQQTVOLCH-UHFFFAOYSA-N 1 0 249.398 3.619 10 0 BHAERO Clc1cc(Cl)cc([C@@H]2CCCC[NH2+]2)c1 ZINC000004234833 180575707 /nfs/dbraw/zinc/57/57/07/180575707.db2.gz WHPIGIJJCAIISO-NSHDSACASA-N 1 0 230.138 3.808 10 0 BHAERO Clc1cc(Cl)cc([C@H]2CCCC[NH2+]2)c1 ZINC000004234834 180575675 /nfs/dbraw/zinc/57/56/75/180575675.db2.gz WHPIGIJJCAIISO-LLVKDONJSA-N 1 0 230.138 3.808 10 0 BHAERO CC(C)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC000004234991 187535452 /nfs/dbraw/zinc/53/54/52/187535452.db2.gz SQVIRRDNQUNDOB-GFCCVEGCSA-N 1 0 233.380 3.817 10 0 BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1ccc(Cl)cc1 ZINC000004626678 541502879 /nfs/dbraw/zinc/50/28/79/541502879.db2.gz PZJBWSQQDMRZHY-FZZIBODNSA-N 1 0 235.758 3.584 10 0 BHAERO C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1 ZINC000004831923 177500897 /nfs/dbraw/zinc/50/08/97/177500897.db2.gz FJFKCRZPKGCGJE-MDZDMXLPSA-N 1 0 246.333 3.835 10 0 in-vitro BHAERO CCCC[C@H](CC)[C@@H]1OCC[N@@H+]1CCCC ZINC000004977264 169001048 /nfs/dbraw/zinc/00/10/48/169001048.db2.gz CYMHAQCMKNVHPA-KBPBESRZSA-N 1 0 227.392 3.661 10 0 BHAERO CC(C)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000005064609 167397758 /nfs/dbraw/zinc/39/77/58/167397758.db2.gz JMZMKWSJDGJXNU-OAHLLOKOSA-N 1 0 213.324 3.538 10 0 BHAERO N#[N+]c1ccc(N2CCCCCC2)cc1 ZINC000005161947 188269187 /nfs/dbraw/zinc/26/91/87/188269187.db2.gz SBOLCYKLZJQAKZ-UHFFFAOYSA-N 1 0 202.281 3.552 10 0 BHAERO CC(C)(C)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000005257999 345956856 /nfs/dbraw/zinc/95/68/56/345956856.db2.gz YGEUBHFQORJDLZ-UHFFFAOYSA-N 1 0 221.388 3.591 10 0 BHAERO CC(C)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005285084 188450890 /nfs/dbraw/zinc/45/08/90/188450890.db2.gz ZKHGNWFZMZDVSR-OAHLLOKOSA-N 1 0 217.356 3.870 10 0 BHAERO CCCCC(CCCC)c1cc[n+](C)cc1 ZINC000005308314 168631198 /nfs/dbraw/zinc/63/11/98/168631198.db2.gz HOBIGWVYMIIMFO-UHFFFAOYSA-N 1 0 220.380 3.975 10 0 BHAERO CCCC[C@H](CC)c1c[nH+]c(N)c(C)c1 ZINC000005309980 169001345 /nfs/dbraw/zinc/00/13/45/169001345.db2.gz LVPJXDFQRNKNRY-NSHDSACASA-N 1 0 206.333 3.656 10 0 BHAERO CCCC[C@H]1c2ccccc2[NH+]=CN1C ZINC000005310162 169014705 /nfs/dbraw/zinc/01/47/05/169014705.db2.gz RQHUHXOZIZRLPA-ZDUSSCGKSA-N 1 0 202.301 3.523 10 0 BHAERO CC(C)(C)[C@H]1CC=C([NH+]2CCCC2)CC1 ZINC000005354129 342762462 /nfs/dbraw/zinc/76/24/62/342762462.db2.gz PFFAIOJNQWNGQK-LBPRGKRZSA-N 1 0 207.361 3.812 10 0 BHAERO C[N@@H+]1[C@@H](C(C)(C)C)CCC[C@H]1C(C)(C)C ZINC000005354147 173205056 /nfs/dbraw/zinc/20/50/56/173205056.db2.gz GWIVMGASCWOOFD-TXEJJXNPSA-N 1 0 211.393 3.932 10 0 BHAERO C[NH+]1[C@H](C(C)(C)C)CCC[C@H]1C(C)(C)C ZINC000005354174 173205382 /nfs/dbraw/zinc/20/53/82/173205382.db2.gz GWIVMGASCWOOFD-RYUDHWBXSA-N 1 0 211.393 3.932 10 0 BHAERO CC(C)(C)[C@@H]1CC=C([NH+]2CCCC2)CC1 ZINC000005354671 187586277 /nfs/dbraw/zinc/58/62/77/187586277.db2.gz PFFAIOJNQWNGQK-GFCCVEGCSA-N 1 0 207.361 3.812 10 0 BHAERO C[NH+]1[C@@H](C(C)(C)C)CCC[C@@H]1C(C)(C)C ZINC000005354704 173205097 /nfs/dbraw/zinc/20/50/97/173205097.db2.gz GWIVMGASCWOOFD-VXGBXAGGSA-N 1 0 211.393 3.932 10 0 BHAERO Cc1ccc(-[n+]2ccc(-c3ccccc3)cc2)cc1 ZINC000005416894 178316176 /nfs/dbraw/zinc/31/61/76/178316176.db2.gz NFPNREMUHJPYKX-UHFFFAOYSA-N 1 0 246.333 3.939 10 0 BHAERO C[N@@H+]1[C@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000005454505 342764059 /nfs/dbraw/zinc/76/40/59/342764059.db2.gz CTLWQMICLDLMLR-AWEZNQCLSA-N 1 0 228.339 3.713 10 0 BHAERO CCNc1c2cc(C)ccc2[nH+]c2c1CCCC2 ZINC000005650464 170171541 /nfs/dbraw/zinc/17/15/41/170171541.db2.gz IZVYTRNGQCAISN-UHFFFAOYSA-N 1 0 240.350 3.854 10 0 BHAERO CC[C@@H]1CC[C@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005651189 342767941 /nfs/dbraw/zinc/76/79/41/342767941.db2.gz SCSHLMQESUQPEU-IAQYHMDHSA-N 1 0 228.339 3.713 10 0 BHAERO CC[C@@H]1CC[C@@H](c2c[nH]c3ccccc32)[N@@H+]1C ZINC000005651191 342767847 /nfs/dbraw/zinc/76/78/47/342767847.db2.gz SCSHLMQESUQPEU-ABAIWWIYSA-N 1 0 228.339 3.713 10 0 BHAERO CC[C@H]1CC[C@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005651511 342767873 /nfs/dbraw/zinc/76/78/73/342767873.db2.gz SCSHLMQESUQPEU-XHDPSFHLSA-N 1 0 228.339 3.713 10 0 BHAERO CC[C@H]1CC[C@@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005651513 342767741 /nfs/dbraw/zinc/76/77/41/342767741.db2.gz SCSHLMQESUQPEU-NHYWBVRUSA-N 1 0 228.339 3.713 10 0 BHAERO C[NH+](C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000005689252 346906052 /nfs/dbraw/zinc/90/60/52/346906052.db2.gz GAVBHVRHVQMWEI-DLBZAZTESA-N 1 0 237.346 3.825 10 0 in-man BHAERO C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccc(Cl)cc21 ZINC000005699378 369028451 /nfs/dbraw/zinc/02/84/51/369028451.db2.gz KSVBDCVNOLOLNW-CYBMUJFWSA-N 1 0 234.730 3.588 10 0 BHAERO C[N@@H+]1CCC[C@H]1c1c[nH]c2cccc(Cl)c21 ZINC000005699426 369028375 /nfs/dbraw/zinc/02/83/75/369028375.db2.gz ROUPHMNZHLBCGO-LBPRGKRZSA-N 1 0 234.730 3.588 10 0 BHAERO CCCCCC[N@H+]1C[C@H]2c3ccccc3C[C@@H]2C1 ZINC000005711753 168663798 /nfs/dbraw/zinc/66/37/98/168663798.db2.gz YJMONBZZJMVZJJ-NVXWUHKLSA-N 1 0 243.394 3.838 10 0 BHAERO C[NH2+]C/C=C(\c1ccccc1)c1ccccc1C ZINC000005782795 173321542 /nfs/dbraw/zinc/32/15/42/173321542.db2.gz LMJPUKDCQMQWGA-SFQUDFHCSA-N 1 0 237.346 3.646 10 0 BHAERO CCC[NH+](CCC)CCc1ccc2cc[nH]c2c1 ZINC000005832876 169147757 /nfs/dbraw/zinc/14/77/57/169147757.db2.gz TYZLFKJNZSZXST-UHFFFAOYSA-N 1 0 244.382 3.832 10 0 BHAERO CC(C)[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1 ZINC000005920748 188102775 /nfs/dbraw/zinc/10/27/75/188102775.db2.gz CPRJYJTWXVUHFD-GOEBONIOSA-N 1 0 231.383 3.943 10 0 BHAERO C[NH+]1CCC(c2cc3cc(Cl)ccc3o2)CC1 ZINC000005966330 173000117 /nfs/dbraw/zinc/00/01/17/173000117.db2.gz FTKTZRKAVSDSRA-UHFFFAOYSA-N 1 0 249.741 3.895 10 0 BHAERO C[NH2+]CC[C@]1(c2ccccc2)C=Cc2ccccc21 ZINC000005996374 369031397 /nfs/dbraw/zinc/03/13/97/369031397.db2.gz HUGLAQUJRPXQOX-SFHVURJKSA-N 1 0 249.357 3.609 10 0 BHAERO C[NH2+]CC[C@@]1(c2ccccc2)C=Cc2ccccc21 ZINC000005996377 369030995 /nfs/dbraw/zinc/03/09/95/369030995.db2.gz HUGLAQUJRPXQOX-GOSISDBHSA-N 1 0 249.357 3.609 10 0 BHAERO CNc1ccc(Cl)cc1C(=[NH2+])c1ccccc1 ZINC000005996594 384143246 /nfs/dbraw/zinc/14/32/46/384143246.db2.gz YIBUYDHSWMGPBG-UHFFFAOYSA-N 1 0 244.725 3.798 10 0 BHAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000006068345 173467906 /nfs/dbraw/zinc/46/79/06/173467906.db2.gz NVXPZMLRGBVYQV-YOEHRIQHSA-N 1 0 237.346 3.873 10 0 BHAERO [NH3+]CCCCCCCCc1ccccc1 ZINC000006096143 346635577 /nfs/dbraw/zinc/63/55/77/346635577.db2.gz DQVXBSLEVBEQCB-UHFFFAOYSA-N 1 0 205.345 3.528 10 0 BHAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000006116277 369030948 /nfs/dbraw/zinc/03/09/48/369030948.db2.gz IWNWWVPLTTUPBQ-XJKSGUPXSA-N 1 0 223.319 3.612 10 0 BHAERO c1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000006116281 398281036 /nfs/dbraw/zinc/28/10/36/398281036.db2.gz KJHWRRVSXANANB-ZWKOTPCHSA-N 1 0 249.357 3.969 10 0 BHAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)c2ccccc21 ZINC000006116466 369031490 /nfs/dbraw/zinc/03/14/90/369031490.db2.gz IWNWWVPLTTUPBQ-CZUORRHYSA-N 1 0 223.319 3.612 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](c2cccc(SC)c2)C1 ZINC000006380241 169194866 /nfs/dbraw/zinc/19/48/66/169194866.db2.gz DQQBAKJEWKQXPD-CQSZACIVSA-N 1 0 249.423 3.998 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C ZINC000006706916 171026695 /nfs/dbraw/zinc/02/66/95/171026695.db2.gz UWIIMVSWLWCKND-JHJVBQTASA-N 1 0 211.393 3.837 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C ZINC000006706932 171026569 /nfs/dbraw/zinc/02/65/69/171026569.db2.gz UWIIMVSWLWCKND-UPJWGTAASA-N 1 0 211.393 3.837 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C ZINC000006707666 342781313 /nfs/dbraw/zinc/78/13/13/342781313.db2.gz UWIIMVSWLWCKND-FRRDWIJNSA-N 1 0 211.393 3.837 10 0 BHAERO CC[C@H]1CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C ZINC000006707681 171639438 /nfs/dbraw/zinc/63/94/38/171639438.db2.gz UWIIMVSWLWCKND-AGIUHOORSA-N 1 0 211.393 3.837 10 0 BHAERO Cc1ccc(C(=[NH2+])c2ccc(C)cc2)cc1 ZINC000008549928 372755319 /nfs/dbraw/zinc/75/53/19/372755319.db2.gz FMJLJZORCRAZHN-UHFFFAOYSA-N 1 0 209.292 3.720 10 0 BHAERO [NH3+][C@@H](c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000009245950 181564760 /nfs/dbraw/zinc/56/47/60/181564760.db2.gz OHXQTGXHRSLXEF-MRXNPFEDSA-N 1 0 229.367 3.755 10 0 BHAERO CCc1ccc(C[C@H](C[NH3+])c2ccccc2)cc1 ZINC000011587948 171814817 /nfs/dbraw/zinc/81/48/17/171814817.db2.gz NGASPOYTWGHNMO-QGZVFWFLSA-N 1 0 239.362 3.534 10 0 BHAERO [NH3+]C[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011587953 181419109 /nfs/dbraw/zinc/41/91/09/181419109.db2.gz HDVOZPBUVQRCJC-CQSZACIVSA-N 1 0 245.753 3.625 10 0 BHAERO [NH3+]C[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011587954 181445668 /nfs/dbraw/zinc/44/56/68/181445668.db2.gz HDVOZPBUVQRCJC-AWEZNQCLSA-N 1 0 245.753 3.625 10 0 BHAERO Cc1ccccc1C[C@@H](C[NH3+])c1ccccc1C ZINC000011588134 179290084 /nfs/dbraw/zinc/29/00/84/179290084.db2.gz CCGSFHLCKFVGBD-INIZCTEOSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1ccccc1C[C@H](C[NH3+])c1ccccc1C ZINC000011588135 179292227 /nfs/dbraw/zinc/29/22/27/179292227.db2.gz CCGSFHLCKFVGBD-MRXNPFEDSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1cccc(C[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000011588136 187760428 /nfs/dbraw/zinc/76/04/28/187760428.db2.gz MQGMUUOEFRENRT-INIZCTEOSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1cccc(C[C@H](C[NH3+])c2ccccc2C)c1 ZINC000011588137 179106201 /nfs/dbraw/zinc/10/62/01/179106201.db2.gz MQGMUUOEFRENRT-MRXNPFEDSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1ccc(C[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000011588138 178646975 /nfs/dbraw/zinc/64/69/75/178646975.db2.gz VWFGBEKHKNSSSQ-INIZCTEOSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])Cc2ccccc2C)c1 ZINC000011588184 179184082 /nfs/dbraw/zinc/18/40/82/179184082.db2.gz KOJRBRVEUMCOHP-QGZVFWFLSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1cccc([C@H](C[NH3+])Cc2ccccc2C)c1 ZINC000011588185 179198733 /nfs/dbraw/zinc/19/87/33/179198733.db2.gz KOJRBRVEUMCOHP-KRWDZBQOSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1cccc(C[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000011588187 179105572 /nfs/dbraw/zinc/10/55/72/179105572.db2.gz SQEJNYQWMHVKOD-QGZVFWFLSA-N 1 0 239.362 3.588 10 0 BHAERO Cc1ccc([C@@H](C[NH3+])Cc2ccccc2C)cc1 ZINC000011588234 178853831 /nfs/dbraw/zinc/85/38/31/178853831.db2.gz WLDAKBVWLBYKSE-QGZVFWFLSA-N 1 0 239.362 3.588 10 0 BHAERO CC(C)c1ccc2c(c1)[C@H](C(C)C)[NH2+]CC2 ZINC000011598525 167625285 /nfs/dbraw/zinc/62/52/85/167625285.db2.gz GHPMPCVSOPYPAE-HNNXBMFYSA-N 1 0 217.356 3.653 10 0 BHAERO CC(C)c1ccc2c(c1)[C@@H](C(C)C)[NH2+]CC2 ZINC000011598529 167623599 /nfs/dbraw/zinc/62/35/99/167623599.db2.gz GHPMPCVSOPYPAE-OAHLLOKOSA-N 1 0 217.356 3.653 10 0 BHAERO CC[C@@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598801 171150260 /nfs/dbraw/zinc/15/02/60/171150260.db2.gz FZDZSMRFXWXYCF-AWEZNQCLSA-N 1 0 217.356 3.581 10 0 BHAERO CC[C@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598805 171683429 /nfs/dbraw/zinc/68/34/29/171683429.db2.gz FZDZSMRFXWXYCF-CQSZACIVSA-N 1 0 217.356 3.581 10 0 BHAERO CC(C)[C@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598812 167515819 /nfs/dbraw/zinc/51/58/19/167515819.db2.gz BZXIBBWRLMWWNI-OAHLLOKOSA-N 1 0 231.383 3.827 10 0 BHAERO CC(C)c1ccc([C@@H]([NH3+])Cc2ccco2)cc1 ZINC000011601616 167613079 /nfs/dbraw/zinc/61/30/79/167613079.db2.gz DVQAUFNYQCGBQI-HNNXBMFYSA-N 1 0 229.323 3.646 10 0 BHAERO CC(C)(C)c1ccc([C@@H]([NH3+])Cc2ccco2)cc1 ZINC000011601656 188105218 /nfs/dbraw/zinc/10/52/18/188105218.db2.gz JQRZKXRJHYSLIU-HNNXBMFYSA-N 1 0 243.350 3.820 10 0 BHAERO CCc1ccc([C@@H]([NH3+])Cc2cccs2)cc1 ZINC000011601764 171834675 /nfs/dbraw/zinc/83/46/75/171834675.db2.gz YXRKAYUOVUFSEE-AWEZNQCLSA-N 1 0 231.364 3.553 10 0 BHAERO [NH3+][C@H](Cc1cccs1)c1ccc(Cl)cc1 ZINC000011601814 181627769 /nfs/dbraw/zinc/62/77/69/181627769.db2.gz JKZCGPZLOPFBGN-GFCCVEGCSA-N 1 0 237.755 3.644 10 0 BHAERO [NH3+][C@@H](Cc1ccccc1)c1ccccc1Cl ZINC000011601984 343012682 /nfs/dbraw/zinc/01/26/82/343012682.db2.gz RFVPHPITEVXCBC-AWEZNQCLSA-N 1 0 231.726 3.583 10 0 BHAERO [NH3+][C@H](Cc1ccccc1)c1ccccc1Cl ZINC000011601987 343012505 /nfs/dbraw/zinc/01/25/05/343012505.db2.gz RFVPHPITEVXCBC-CQSZACIVSA-N 1 0 231.726 3.583 10 0 BHAERO [NH3+][C@@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000011601992 181556239 /nfs/dbraw/zinc/55/62/39/181556239.db2.gz HACUIUGONWZXQX-AWEZNQCLSA-N 1 0 231.726 3.583 10 0 BHAERO [NH3+][C@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000011601995 343012845 /nfs/dbraw/zinc/01/28/45/343012845.db2.gz HACUIUGONWZXQX-CQSZACIVSA-N 1 0 231.726 3.583 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1ccccc1C ZINC000011602094 179289765 /nfs/dbraw/zinc/28/97/65/179289765.db2.gz FBASYDWCAJYKMY-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1ccccc1C ZINC000011602096 179292254 /nfs/dbraw/zinc/29/22/54/179292254.db2.gz FBASYDWCAJYKMY-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2C)c1 ZINC000011602104 179186145 /nfs/dbraw/zinc/18/61/45/179186145.db2.gz WNCQMQTUXALXHG-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2C)c1 ZINC000011602109 179200052 /nfs/dbraw/zinc/20/00/52/179200052.db2.gz WNCQMQTUXALXHG-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO CCc1ccc([C@@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011602132 171834387 /nfs/dbraw/zinc/83/43/87/171834387.db2.gz NYFHAIIMHHKMMG-KRWDZBQOSA-N 1 0 239.362 3.800 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1ccccc1Cl ZINC000011602163 179289717 /nfs/dbraw/zinc/28/97/17/179289717.db2.gz FFOJEDPOYFDHFH-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1ccccc1Cl ZINC000011602167 179292169 /nfs/dbraw/zinc/29/21/69/179292169.db2.gz FFOJEDPOYFDHFH-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000011602171 179290174 /nfs/dbraw/zinc/29/01/74/179290174.db2.gz VEDWBURMGRKRME-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000011602172 179291584 /nfs/dbraw/zinc/29/15/84/179291584.db2.gz VEDWBURMGRKRME-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000011602175 179289481 /nfs/dbraw/zinc/28/94/81/179289481.db2.gz LHADLDGNWKEPIH-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000011602179 179291685 /nfs/dbraw/zinc/29/16/85/179291685.db2.gz LHADLDGNWKEPIH-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccccc2C)c1 ZINC000011602281 179103973 /nfs/dbraw/zinc/10/39/73/179103973.db2.gz NCMTXIPZIOGXPV-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccccc2C)c1 ZINC000011602285 179105835 /nfs/dbraw/zinc/10/58/35/179105835.db2.gz NCMTXIPZIOGXPV-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2cccc(C)c2)c1 ZINC000011602289 179104421 /nfs/dbraw/zinc/10/44/21/179104421.db2.gz VZYLZYPUMWGXTK-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2cccc(C)c2)c1 ZINC000011602292 179106377 /nfs/dbraw/zinc/10/63/77/179106377.db2.gz VZYLZYPUMWGXTK-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2cccc(C)c2)cc1 ZINC000011602302 178908106 /nfs/dbraw/zinc/90/81/06/178908106.db2.gz JBEVLYKRCJGIOV-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO CCc1ccc([C@@H]([NH3+])Cc2cccc(C)c2)cc1 ZINC000011602322 171834697 /nfs/dbraw/zinc/83/46/97/171834697.db2.gz XERHJOHUNVAORT-KRWDZBQOSA-N 1 0 239.362 3.800 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccccc2Cl)c1 ZINC000011602349 179104361 /nfs/dbraw/zinc/10/43/61/179104361.db2.gz HOEXMQRRVDMULM-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccccc2Cl)c1 ZINC000011602352 179105378 /nfs/dbraw/zinc/10/53/78/179105378.db2.gz HOEXMQRRVDMULM-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000011602355 179104820 /nfs/dbraw/zinc/10/48/20/179104820.db2.gz VGKDFRGCKMQOEZ-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000011602358 179105954 /nfs/dbraw/zinc/10/59/54/179105954.db2.gz VGKDFRGCKMQOEZ-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000011602362 179104071 /nfs/dbraw/zinc/10/40/71/179104071.db2.gz ZGNKRGGKBDUGJG-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000011602366 179106301 /nfs/dbraw/zinc/10/63/01/179106301.db2.gz ZGNKRGGKBDUGJG-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000011602473 178648272 /nfs/dbraw/zinc/64/82/72/178648272.db2.gz RSVNPXZAAFSWFM-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO CCc1ccc([C@@H]([NH3+])Cc2ccc(C)cc2)cc1 ZINC000011602499 171834157 /nfs/dbraw/zinc/83/41/57/171834157.db2.gz CLAWVSXEEFKIDS-KRWDZBQOSA-N 1 0 239.362 3.800 10 0 BHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(C)cc2)cc1 ZINC000011602505 171842297 /nfs/dbraw/zinc/84/22/97/171842297.db2.gz CLAWVSXEEFKIDS-QGZVFWFLSA-N 1 0 239.362 3.800 10 0 BHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011602873 171842458 /nfs/dbraw/zinc/84/24/58/171842458.db2.gz OXTOUJOZQQDMKG-MRXNPFEDSA-N 1 0 243.325 3.631 10 0 BHAERO CCc1ccc(C[C@@H]([NH3+])c2cccs2)cc1 ZINC000011603012 171814202 /nfs/dbraw/zinc/81/42/02/171814202.db2.gz DHPUHZXIZWOKEY-CYBMUJFWSA-N 1 0 231.364 3.553 10 0 BHAERO CCc1ccc(C[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000011603025 171814279 /nfs/dbraw/zinc/81/42/79/171814279.db2.gz DJDWAZSFJXMBOJ-QGZVFWFLSA-N 1 0 239.362 3.800 10 0 BHAERO CCc1ccc(C[C@H]([NH3+])c2ccccc2C)cc1 ZINC000011603029 171814826 /nfs/dbraw/zinc/81/48/26/171814826.db2.gz DJDWAZSFJXMBOJ-KRWDZBQOSA-N 1 0 239.362 3.800 10 0 BHAERO CCc1ccc(C[C@@H]([NH3+])c2ccccc2F)cc1 ZINC000011603046 171814014 /nfs/dbraw/zinc/81/40/14/171814014.db2.gz KGMYJWBIOPEWEF-MRXNPFEDSA-N 1 0 243.325 3.631 10 0 BHAERO CCc1ccc(C[C@H]([NH3+])c2ccccc2F)cc1 ZINC000011603049 171814732 /nfs/dbraw/zinc/81/47/32/171814732.db2.gz KGMYJWBIOPEWEF-INIZCTEOSA-N 1 0 243.325 3.631 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccccc1Cl ZINC000011603748 179324487 /nfs/dbraw/zinc/32/44/87/179324487.db2.gz GBBXUWXTKSULOS-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])Cc1ccccc1Cl ZINC000011603750 179343569 /nfs/dbraw/zinc/34/35/69/179343569.db2.gz GBBXUWXTKSULOS-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000011603754 179186756 /nfs/dbraw/zinc/18/67/56/179186756.db2.gz UOBJPEIFQVVPNH-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000011603758 179200966 /nfs/dbraw/zinc/20/09/66/179200966.db2.gz UOBJPEIFQVVPNH-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011603761 178859409 /nfs/dbraw/zinc/85/94/09/178859409.db2.gz FXLFRKGNCYIBFD-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000011603933 179324413 /nfs/dbraw/zinc/32/44/13/179324413.db2.gz JUMDSKCEBZMBAS-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000011603936 179344133 /nfs/dbraw/zinc/34/41/33/179344133.db2.gz JUMDSKCEBZMBAS-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011603938 179187326 /nfs/dbraw/zinc/18/73/26/179187326.db2.gz JYJPHMFKEZRAPV-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011603942 179200750 /nfs/dbraw/zinc/20/07/50/179200750.db2.gz JYJPHMFKEZRAPV-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011603948 178859189 /nfs/dbraw/zinc/85/91/89/178859189.db2.gz DDZJBKKZARZSKT-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000011603959 181554635 /nfs/dbraw/zinc/55/46/35/181554635.db2.gz CIMSKIQFPXEUDF-AWEZNQCLSA-N 1 0 249.716 3.722 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000011604105 179325193 /nfs/dbraw/zinc/32/51/93/179325193.db2.gz SFHZNIYZHXZKNC-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000011604108 179344126 /nfs/dbraw/zinc/34/41/26/179344126.db2.gz SFHZNIYZHXZKNC-OAHLLOKOSA-N 1 0 245.753 3.891 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)c1 ZINC000011604111 179186916 /nfs/dbraw/zinc/18/69/16/179186916.db2.gz LRUPQIVUVMADGQ-HNNXBMFYSA-N 1 0 245.753 3.891 10 0 BHAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000011604134 181625311 /nfs/dbraw/zinc/62/53/11/181625311.db2.gz QWXRUPHBIQZDTE-CQSZACIVSA-N 1 0 249.716 3.722 10 0 BHAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])c2ccco2)cc1 ZINC000011605130 187249854 /nfs/dbraw/zinc/24/98/54/187249854.db2.gz WKGKGDSVIUUCHC-CQSZACIVSA-N 1 0 243.350 3.820 10 0 BHAERO Cc1ccccc1CC[C@@H]([NH3+])c1cccs1 ZINC000011605917 179267146 /nfs/dbraw/zinc/26/71/46/179267146.db2.gz XHLSUQCWXWIYKF-CYBMUJFWSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1ccccc1CC[C@H]([NH3+])c1cccs1 ZINC000011605921 179266731 /nfs/dbraw/zinc/26/67/31/179266731.db2.gz XHLSUQCWXWIYKF-ZDUSSCGKSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1cccc(CC[C@@H]([NH3+])c2cccs2)c1 ZINC000011605926 179061840 /nfs/dbraw/zinc/06/18/40/179061840.db2.gz LCEKUAPQBXUTMN-CYBMUJFWSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1cccc(CC[C@H]([NH3+])c2cccs2)c1 ZINC000011605929 179061729 /nfs/dbraw/zinc/06/17/29/179061729.db2.gz LCEKUAPQBXUTMN-ZDUSSCGKSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1ccc(CC[C@@H]([NH3+])c2cccs2)cc1 ZINC000011605932 187249484 /nfs/dbraw/zinc/24/94/84/187249484.db2.gz LNWFSRPNIZYZAC-CYBMUJFWSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1ccccc1CC[C@@H]([NH3+])c1ccccc1 ZINC000011606078 179267166 /nfs/dbraw/zinc/26/71/66/179267166.db2.gz XOKNMFRGUHZHPL-MRXNPFEDSA-N 1 0 225.335 3.628 10 0 BHAERO Cc1ccccc1CC[C@H]([NH3+])c1ccccc1 ZINC000011606080 179266973 /nfs/dbraw/zinc/26/69/73/179266973.db2.gz XOKNMFRGUHZHPL-INIZCTEOSA-N 1 0 225.335 3.628 10 0 BHAERO Cc1cccc(CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000011606083 179062078 /nfs/dbraw/zinc/06/20/78/179062078.db2.gz BQDCJPMUDIWQBL-MRXNPFEDSA-N 1 0 225.335 3.628 10 0 BHAERO Cc1cccc(CC[C@H]([NH3+])c2ccccc2)c1 ZINC000011606085 179061112 /nfs/dbraw/zinc/06/11/12/179061112.db2.gz BQDCJPMUDIWQBL-INIZCTEOSA-N 1 0 225.335 3.628 10 0 BHAERO CCc1ccc(CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000011606106 171793162 /nfs/dbraw/zinc/79/31/62/171793162.db2.gz VOLJQIAJIZAOBS-KRWDZBQOSA-N 1 0 239.362 3.882 10 0 BHAERO [NH3+][C@@H](CCc1ccccc1Cl)c1ccccc1 ZINC000011606130 181546033 /nfs/dbraw/zinc/54/60/33/181546033.db2.gz LDQFJHYTXKENGN-HNNXBMFYSA-N 1 0 245.753 3.973 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCc2cccs2)cc1 ZINC000011606213 178858190 /nfs/dbraw/zinc/85/81/90/178858190.db2.gz NTVBNUXFVFISNS-AWEZNQCLSA-N 1 0 231.364 3.689 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCc2ccccc2C)cc1 ZINC000011606224 178857596 /nfs/dbraw/zinc/85/75/96/178857596.db2.gz PZQWXZQKNIGUOG-KRWDZBQOSA-N 1 0 239.362 3.936 10 0 BHAERO Cc1ccc([C@H]([NH3+])CCc2ccccc2C)cc1 ZINC000011606227 178906752 /nfs/dbraw/zinc/90/67/52/178906752.db2.gz PZQWXZQKNIGUOG-QGZVFWFLSA-N 1 0 239.362 3.936 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCc2cccs2)cc1C ZINC000011606652 178857549 /nfs/dbraw/zinc/85/75/49/178857549.db2.gz DYNFRCMKGPLSBC-HNNXBMFYSA-N 1 0 245.391 3.998 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCc2ccccc2)cc1C ZINC000011606659 178858105 /nfs/dbraw/zinc/85/81/05/178858105.db2.gz LBKRLUKBIGUWOA-KRWDZBQOSA-N 1 0 239.362 3.936 10 0 BHAERO Cc1ccc(C)c([C@@H]([NH3+])CCc2cccs2)c1 ZINC000011606827 178495878 /nfs/dbraw/zinc/49/58/78/178495878.db2.gz YHLGHSLGRMIGNP-HNNXBMFYSA-N 1 0 245.391 3.998 10 0 BHAERO [NH3+][C@@H](CCc1cccs1)c1ccc(F)cc1 ZINC000011607092 181545849 /nfs/dbraw/zinc/54/58/49/181545849.db2.gz LCTMZMYJRYIORF-ZDUSSCGKSA-N 1 0 235.327 3.520 10 0 BHAERO Cc1ccccc1CC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000011607104 179266859 /nfs/dbraw/zinc/26/68/59/179266859.db2.gz DGKXMQQTPOEVOT-MRXNPFEDSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1ccccc1CC[C@H]([NH3+])c1ccc(F)cc1 ZINC000011607108 179267442 /nfs/dbraw/zinc/26/74/42/179267442.db2.gz DGKXMQQTPOEVOT-INIZCTEOSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1cccc(CC[C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011607110 179062139 /nfs/dbraw/zinc/06/21/39/179062139.db2.gz KPGNXSAKWXFJPR-MRXNPFEDSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1cccc(CC[C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011607113 179061987 /nfs/dbraw/zinc/06/19/87/179061987.db2.gz KPGNXSAKWXFJPR-INIZCTEOSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1ccc(CC[C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011607117 187760383 /nfs/dbraw/zinc/76/03/83/187760383.db2.gz QBTGIRPMZBBMMC-MRXNPFEDSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1ccc(CC[C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011607120 178537640 /nfs/dbraw/zinc/53/76/40/178537640.db2.gz QBTGIRPMZBBMMC-INIZCTEOSA-N 1 0 243.325 3.767 10 0 BHAERO [NH3+][C@H](CCc1ccco1)c1ccc(Cl)cc1 ZINC000011607253 181615910 /nfs/dbraw/zinc/61/59/10/181615910.db2.gz KBKRQNNRJCAQRO-CYBMUJFWSA-N 1 0 235.714 3.566 10 0 BHAERO Cc1cc([C@@H]([NH3+])CCc2cccs2)ccc1F ZINC000011607524 178235291 /nfs/dbraw/zinc/23/52/91/178235291.db2.gz HNMILEONZBBVSR-AWEZNQCLSA-N 1 0 249.354 3.828 10 0 BHAERO Cc1cc([C@H]([NH3+])CCc2cccs2)ccc1F ZINC000011607525 178262304 /nfs/dbraw/zinc/26/23/04/178262304.db2.gz HNMILEONZBBVSR-CQSZACIVSA-N 1 0 249.354 3.828 10 0 BHAERO Cc1cc([C@@H]([NH3+])CCc2ccccc2)ccc1F ZINC000011607528 178235799 /nfs/dbraw/zinc/23/57/99/178235799.db2.gz SHYVAOJJYLIADB-INIZCTEOSA-N 1 0 243.325 3.767 10 0 BHAERO Cc1cc([C@H]([NH3+])CCc2ccccc2)ccc1F ZINC000011607531 178262891 /nfs/dbraw/zinc/26/28/91/178262891.db2.gz SHYVAOJJYLIADB-MRXNPFEDSA-N 1 0 243.325 3.767 10 0 BHAERO [NH3+]CC[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011629737 181404967 /nfs/dbraw/zinc/40/49/67/181404967.db2.gz DLFHTNCSXFPTQJ-HNNXBMFYSA-N 1 0 245.753 3.821 10 0 BHAERO [NH3+]CC[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011629738 384665526 /nfs/dbraw/zinc/66/55/26/384665526.db2.gz DLFHTNCSXFPTQJ-OAHLLOKOSA-N 1 0 245.753 3.821 10 0 BHAERO C[NH2+]CC[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000011630048 173357522 /nfs/dbraw/zinc/35/75/22/173357522.db2.gz VNPJANIAEDGVLS-GFCCVEGCSA-N 1 0 219.372 3.697 10 0 BHAERO C[NH2+]CC[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000011630049 173358537 /nfs/dbraw/zinc/35/85/37/173358537.db2.gz VNPJANIAEDGVLS-LBPRGKRZSA-N 1 0 219.372 3.697 10 0 BHAERO CC[C@@H](CC[NH2+]C)c1ccc(C(C)C)cc1 ZINC000011630086 170816612 /nfs/dbraw/zinc/81/66/12/170816612.db2.gz FCDRPURILMWYCG-ZDUSSCGKSA-N 1 0 219.372 3.913 10 0 BHAERO C[NH2+]CC[C@H](c1ccc(C(C)C)cc1)C1CC1 ZINC000011630126 173358913 /nfs/dbraw/zinc/35/89/13/173358913.db2.gz IPSUCHLLZGRAKY-MRXNPFEDSA-N 1 0 231.383 3.913 10 0 BHAERO C[NH2+]CC[C@@H](c1ccc(C(C)C)cc1)C1CC1 ZINC000011630127 173358118 /nfs/dbraw/zinc/35/81/18/173358118.db2.gz IPSUCHLLZGRAKY-INIZCTEOSA-N 1 0 231.383 3.913 10 0 BHAERO CCc1ccc([C@@H](CC[NH2+]C)C(C)C)cc1 ZINC000011630164 171832715 /nfs/dbraw/zinc/83/27/15/171832715.db2.gz USNKMUICOFTDRY-HNNXBMFYSA-N 1 0 219.372 3.598 10 0 BHAERO C[NH2+]CC[C@@H](c1ccc(OC)c(C)c1)C(C)(C)C ZINC000011630226 173358389 /nfs/dbraw/zinc/35/83/89/173358389.db2.gz FIKPEOUXRIVOCK-AWEZNQCLSA-N 1 0 249.398 3.743 10 0 BHAERO C[NH2+]CC[C@H](c1ccc(OC)c(C)c1)C(C)(C)C ZINC000011630227 173358977 /nfs/dbraw/zinc/35/89/77/173358977.db2.gz FIKPEOUXRIVOCK-CQSZACIVSA-N 1 0 249.398 3.743 10 0 BHAERO C[NH2+]CC[C@@H](c1cc(C)ccc1OC)C(C)(C)C ZINC000011630228 173358544 /nfs/dbraw/zinc/35/85/44/173358544.db2.gz HADWIJIRALVXNL-AWEZNQCLSA-N 1 0 249.398 3.743 10 0 BHAERO C[NH2+]CC[C@H](c1cc(C)ccc1OC)C(C)(C)C ZINC000011630229 173358874 /nfs/dbraw/zinc/35/88/74/173358874.db2.gz HADWIJIRALVXNL-CQSZACIVSA-N 1 0 249.398 3.743 10 0 BHAERO CC(C)(C)c1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000011630873 188104938 /nfs/dbraw/zinc/10/49/38/188104938.db2.gz NEFBDBBRODFHNJ-HNNXBMFYSA-N 1 0 231.383 3.669 10 0 BHAERO CC(C)(C)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000011630896 188105269 /nfs/dbraw/zinc/10/52/69/188105269.db2.gz HVCNKQVGHFUOAP-AWEZNQCLSA-N 1 0 231.383 3.526 10 0 BHAERO CC(C)(C)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000011630897 344394255 /nfs/dbraw/zinc/39/42/55/344394255.db2.gz HVCNKQVGHFUOAP-CQSZACIVSA-N 1 0 231.383 3.526 10 0 BHAERO Clc1ccc(C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000011630915 180581419 /nfs/dbraw/zinc/58/14/19/180581419.db2.gz VJIKSYRHBVFHPV-JTQLQIEISA-N 1 0 244.165 3.536 10 0 BHAERO CCc1ccc(C(C)(C)C[C@@H](C)[NH2+]C)cc1 ZINC000011631409 171789272 /nfs/dbraw/zinc/78/92/72/171789272.db2.gz WIBWAHUBSOVFLL-GFCCVEGCSA-N 1 0 219.372 3.525 10 0 BHAERO C[NH2+][C@@H](C)CC(C)(C)c1ccc(C)c(C)c1 ZINC000011631415 173414704 /nfs/dbraw/zinc/41/47/04/173414704.db2.gz JUELEUAXFUYYPZ-ZDUSSCGKSA-N 1 0 219.372 3.579 10 0 BHAERO C[NH2+][C@H](C)CC(C)(C)c1ccc(C)c(C)c1 ZINC000011631416 173446080 /nfs/dbraw/zinc/44/60/80/173446080.db2.gz JUELEUAXFUYYPZ-CYBMUJFWSA-N 1 0 219.372 3.579 10 0 BHAERO C[C@@H](C[NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000011631453 175707281 /nfs/dbraw/zinc/70/72/81/175707281.db2.gz MORYMDRRHQDVDI-GFCCVEGCSA-N 1 0 219.372 3.512 10 0 BHAERO C[C@H](C[NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000011631454 176658448 /nfs/dbraw/zinc/65/84/48/176658448.db2.gz MORYMDRRHQDVDI-LBPRGKRZSA-N 1 0 219.372 3.512 10 0 BHAERO C[C@H](C[NH3+])CCc1ccc(Cl)c(Cl)c1 ZINC000011631482 176658138 /nfs/dbraw/zinc/65/81/38/176658138.db2.gz SSCHLZUFPOHBMH-QMMMGPOBSA-N 1 0 232.154 3.521 10 0 BHAERO Cc1ccc(-c2csc([C@H]([NH3+])C(C)C)n2)cc1 ZINC000011631805 178330747 /nfs/dbraw/zinc/33/07/47/178330747.db2.gz IJHQIUQUJRIBET-CYBMUJFWSA-N 1 0 246.379 3.774 10 0 BHAERO Cc1ccc(-c2csc([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000011631806 178330049 /nfs/dbraw/zinc/33/00/49/178330049.db2.gz IJHQIUQUJRIBET-ZDUSSCGKSA-N 1 0 246.379 3.774 10 0 BHAERO Cc1ccc(-c2csc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000011631981 178330595 /nfs/dbraw/zinc/33/05/95/178330595.db2.gz RFOUYUCURPFRDC-LBPRGKRZSA-N 1 0 244.363 3.543 10 0 BHAERO Cc1ccc(-c2csc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000011631982 178330306 /nfs/dbraw/zinc/33/03/06/178330306.db2.gz RFOUYUCURPFRDC-GFCCVEGCSA-N 1 0 244.363 3.543 10 0 BHAERO [NH3+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000011730419 488033951 /nfs/dbraw/zinc/03/39/51/488033951.db2.gz ULJSELCRXALKAD-UHFFFAOYSA-N 1 0 242.105 3.712 10 0 BHAERO Cc1cccc(Oc2ccc(C[NH3+])cc2)c1C ZINC000011800638 187587186 /nfs/dbraw/zinc/58/71/86/187587186.db2.gz KEQILGACTAFXTB-UHFFFAOYSA-N 1 0 227.307 3.554 10 0 BHAERO CCc1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000011801084 171828236 /nfs/dbraw/zinc/82/82/36/171828236.db2.gz DHELJGRCQQAQJH-UHFFFAOYSA-N 1 0 227.307 3.500 10 0 BHAERO Cc1cc(C)cc(Oc2ccc(CC[NH3+])cc2)c1 ZINC000011801708 177913347 /nfs/dbraw/zinc/91/33/47/177913347.db2.gz QUDZQYPNYZJVTQ-UHFFFAOYSA-N 1 0 241.334 3.597 10 0 BHAERO Cc1cccc(Oc2ccc(CC[NH3+])cc2)c1C ZINC000011801985 179175536 /nfs/dbraw/zinc/17/55/36/179175536.db2.gz DYOZVWOFAXLCMN-UHFFFAOYSA-N 1 0 241.334 3.597 10 0 BHAERO [NH3+]CCc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000011804154 388709935 /nfs/dbraw/zinc/70/99/35/388709935.db2.gz RTQVGGCQPXNNST-UHFFFAOYSA-N 1 0 247.725 3.634 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2c[nH]c3ccccc32)c1 ZINC000011822621 179187048 /nfs/dbraw/zinc/18/70/48/179187048.db2.gz RYQUCHNHHHVMAE-MRXNPFEDSA-N 1 0 236.318 3.524 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2c[nH]c3ccccc32)c1 ZINC000011822623 179201026 /nfs/dbraw/zinc/20/10/26/179201026.db2.gz RYQUCHNHHHVMAE-INIZCTEOSA-N 1 0 236.318 3.524 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000011823985 179324768 /nfs/dbraw/zinc/32/47/68/179324768.db2.gz ZRSHWUVVHVLOMU-MRXNPFEDSA-N 1 0 236.318 3.524 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000011823988 179343861 /nfs/dbraw/zinc/34/38/61/179343861.db2.gz ZRSHWUVVHVLOMU-INIZCTEOSA-N 1 0 236.318 3.524 10 0 BHAERO [NH3+]CC1(c2cccc3ccccc32)CCCC1 ZINC000011848932 181363203 /nfs/dbraw/zinc/36/32/03/181363203.db2.gz WVOVBEAMFYJTLY-UHFFFAOYSA-N 1 0 225.335 3.610 10 0 BHAERO Cc1cc2c(c(C)c1Cl)[C@H]([NH3+])CC(C)(C)O2 ZINC000011848966 178283881 /nfs/dbraw/zinc/28/38/81/178283881.db2.gz LKZZRNYYHXEIFI-SECBINFHSA-N 1 0 239.746 3.518 10 0 BHAERO Cc1cc2c(c(C)c1Cl)[C@@H]([NH3+])CC(C)(C)O2 ZINC000011848967 178282998 /nfs/dbraw/zinc/28/29/98/178282998.db2.gz LKZZRNYYHXEIFI-VIFPVBQESA-N 1 0 239.746 3.518 10 0 BHAERO CC1(C)C[C@@H]([NH3+])c2cc(Cl)cc(Cl)c2O1 ZINC000011848968 345034264 /nfs/dbraw/zinc/03/42/64/345034264.db2.gz LHFXMXYLBCZCDD-SECBINFHSA-N 1 0 246.137 3.554 10 0 BHAERO CC1(C)C[C@H]([NH3+])c2cc(Cl)cc(Cl)c2O1 ZINC000011848969 188105035 /nfs/dbraw/zinc/10/50/35/188105035.db2.gz LHFXMXYLBCZCDD-VIFPVBQESA-N 1 0 246.137 3.554 10 0 BHAERO [NH3+]C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000011884900 181334003 /nfs/dbraw/zinc/33/40/03/181334003.db2.gz HGWUSLGLFJQQOM-UHFFFAOYSA-N 1 0 230.138 3.721 10 0 BHAERO [NH3+]C1(c2cccc3ccccc32)CCCC1 ZINC000011885356 181335598 /nfs/dbraw/zinc/33/55/98/181335598.db2.gz IOSSZUYQZQAYCL-UHFFFAOYSA-N 1 0 211.308 3.568 10 0 BHAERO [NH3+]C1(c2cccc3ccccc32)CCCCC1 ZINC000011885363 181335601 /nfs/dbraw/zinc/33/56/01/181335601.db2.gz GCNPCIOKAZUYAX-UHFFFAOYSA-N 1 0 225.335 3.958 10 0 BHAERO Cc1ccc(Oc2ccc(C[NH3+])cc2)c(C)c1 ZINC000011886281 388711430 /nfs/dbraw/zinc/71/14/30/388711430.db2.gz DXEHWMCHHBUTNW-UHFFFAOYSA-N 1 0 227.307 3.554 10 0 BHAERO Cc1ccc(Oc2ccc(C[NH3+])cc2)cc1C ZINC000011959876 178820222 /nfs/dbraw/zinc/82/02/22/178820222.db2.gz XFQHWEHHBIQMQP-UHFFFAOYSA-N 1 0 227.307 3.554 10 0 BHAERO CC[C@H](C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000011975494 171430211 /nfs/dbraw/zinc/43/02/11/171430211.db2.gz UPBRGMYTOPSQSX-LBPRGKRZSA-N 1 0 219.372 3.512 10 0 BHAERO Cc1cc(C)c(C)c(Oc2ccc(C[NH3+])cc2)c1 ZINC000011992991 177853660 /nfs/dbraw/zinc/85/36/60/177853660.db2.gz GLTVOVNRMLJYQW-UHFFFAOYSA-N 1 0 241.334 3.863 10 0 BHAERO Cc1cc(Oc2ccc(C[NH3+])cc2)ccc1Cl ZINC000011993781 178214797 /nfs/dbraw/zinc/21/47/97/178214797.db2.gz WIXVVHHGOBSLGO-UHFFFAOYSA-N 1 0 247.725 3.899 10 0 BHAERO CCCCCCc1ccc([C@@H](C)[NH3+])cc1 ZINC000012506538 342852953 /nfs/dbraw/zinc/85/29/53/342852953.db2.gz CIHXLHDRIVXUKS-GFCCVEGCSA-N 1 0 205.345 3.829 10 0 BHAERO CCCCCCc1ccc([C@H](C)[NH3+])cc1 ZINC000012506540 342852890 /nfs/dbraw/zinc/85/28/90/342852890.db2.gz CIHXLHDRIVXUKS-LBPRGKRZSA-N 1 0 205.345 3.829 10 0 BHAERO CCCC[N@@H+]1CCC2=C(CCc3ccccc32)C1 ZINC000013455418 384844465 /nfs/dbraw/zinc/84/44/65/384844465.db2.gz VXQVYBORCSUFDN-UHFFFAOYSA-N 1 0 241.378 3.892 10 0 BHAERO CCCC[N@@H+]1CC[C@H]2c3ccccc3CC[C@H]2C1 ZINC000013455427 384845266 /nfs/dbraw/zinc/84/52/66/384845266.db2.gz HHEIQDXGHHAKRI-DOTOQJQBSA-N 1 0 243.394 3.838 10 0 BHAERO CCCC[N@@H+]1CCC2=C(Cc3ccccc32)C1 ZINC000013455461 384844715 /nfs/dbraw/zinc/84/47/15/384844715.db2.gz ZTAAYZUUCPOIBW-UHFFFAOYSA-N 1 0 227.351 3.502 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000013492908 169194335 /nfs/dbraw/zinc/19/43/35/169194335.db2.gz MMNXTTQJJITNJJ-OAHLLOKOSA-N 1 0 217.356 3.584 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000013492909 169198395 /nfs/dbraw/zinc/19/83/95/169198395.db2.gz MMNXTTQJJITNJJ-HNNXBMFYSA-N 1 0 217.356 3.584 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@@H](c2ccc(C)c(C)c2)C1 ZINC000013492922 169194614 /nfs/dbraw/zinc/19/46/14/169194614.db2.gz WKCUEEXFTZSNLI-MRXNPFEDSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO [NH3+]CCCCCCCCCCc1ccccn1 ZINC000013531718 343092187 /nfs/dbraw/zinc/09/21/87/343092187.db2.gz NTZJIQAKZMLDFO-UHFFFAOYSA-N 1 0 234.387 3.704 10 0 BHAERO Cc1ccc2c(c1)-c1cccc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000013589985 343095853 /nfs/dbraw/zinc/09/58/53/343095853.db2.gz VUYKJMZDCAQKIO-QGZVFWFLSA-N 1 0 249.357 3.747 10 0 BHAERO C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000013605847 343096665 /nfs/dbraw/zinc/09/66/65/343096665.db2.gz WPAFSNKIOIISOR-UHFFFAOYSA-N 1 0 223.319 3.559 10 0 BHAERO C[N@H+]1CC=C(c2ccc3ccccc3c2)CC1 ZINC000013605849 343096662 /nfs/dbraw/zinc/09/66/62/343096662.db2.gz LUPUKFNDUMPRQX-UHFFFAOYSA-N 1 0 223.319 3.559 10 0 BHAERO C(C[NH2+]C1CCCCC1)=C1CCCCC1 ZINC000013611624 343097608 /nfs/dbraw/zinc/09/76/08/343097608.db2.gz LTRHVWGCLZKNIP-UHFFFAOYSA-N 1 0 207.361 3.799 10 0 BHAERO C(C[NH2+]Cc1ccccc1)=C1CCCCC1 ZINC000013611626 343097569 /nfs/dbraw/zinc/09/75/69/343097569.db2.gz WQBFDWNGZZBLTG-UHFFFAOYSA-N 1 0 215.340 3.667 10 0 BHAERO Cc1cc2c(cc1C)[NH+]=C(C)C=C(C)N2 ZINC000013633799 362795747 /nfs/dbraw/zinc/79/57/47/362795747.db2.gz IQHFILQYUSPWSF-UHFFFAOYSA-N 1 0 200.285 3.725 10 0 BHAERO Cc1ccccc1Nc1c(N)c[nH+]c2ccccc21 ZINC000013727202 179308276 /nfs/dbraw/zinc/30/82/76/179308276.db2.gz ZXWXHEVMFPNCFA-UHFFFAOYSA-N 1 0 249.317 3.869 10 0 BHAERO c1ccc(C2=CC[N@H+](C3CCCC3)CC2)cc1 ZINC000013729350 343102445 /nfs/dbraw/zinc/10/24/45/343102445.db2.gz AYPGLHVOVADYLO-UHFFFAOYSA-N 1 0 227.351 3.718 10 0 BHAERO c1ccc([C@@]2([NH+]3CCCCC3)CC[C@H]3C[C@H]32)cc1 ZINC000013731062 183429802 /nfs/dbraw/zinc/42/98/02/183429802.db2.gz QWQBIGYOFYXHMI-UAGQMJEPSA-N 1 0 241.378 3.798 10 0 BHAERO c1ccc([C@]2([NH+]3CCCCC3)CC[C@H]3C[C@H]32)cc1 ZINC000013731065 384869609 /nfs/dbraw/zinc/86/96/09/384869609.db2.gz QWQBIGYOFYXHMI-USXIJHARSA-N 1 0 241.378 3.798 10 0 BHAERO CCC[NH+](CCC)[C@@H]1CCc2cccc(C)c2C1 ZINC000013732310 169150306 /nfs/dbraw/zinc/15/03/06/169150306.db2.gz LHGMAZXBORAQSD-MRXNPFEDSA-N 1 0 245.410 3.974 10 0 BHAERO CCC[NH+](CCC)[C@H]1CCc2cccc(C)c2C1 ZINC000013732313 169152416 /nfs/dbraw/zinc/15/24/16/169152416.db2.gz LHGMAZXBORAQSD-INIZCTEOSA-N 1 0 245.410 3.974 10 0 BHAERO Cc1cccc(NC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000013733751 187760700 /nfs/dbraw/zinc/76/07/00/187760700.db2.gz RIAXXCQKICATHW-UHFFFAOYSA-N 1 0 239.322 3.762 10 0 BHAERO CCC[N@H+](C)CCCCCc1ccccc1 ZINC000013736072 169075325 /nfs/dbraw/zinc/07/53/25/169075325.db2.gz UKCLXTUJNBOJII-UHFFFAOYSA-N 1 0 219.372 3.741 10 0 BHAERO c1ccc(CCCCC[NH+]2CCCCC2)cc1 ZINC000013736083 343102631 /nfs/dbraw/zinc/10/26/31/343102631.db2.gz MRACOXALPXCQLZ-UHFFFAOYSA-N 1 0 231.383 3.885 10 0 BHAERO C[N@@H+]1[C@H](c2ccccc2)CC[C@H]1c1cccnc1 ZINC000013738872 173204884 /nfs/dbraw/zinc/20/48/84/173204884.db2.gz SXNWJPFRPOBTBC-HOTGVXAUSA-N 1 0 238.334 3.590 10 0 BHAERO C[N@@H+]1[C@@H](c2ccccc2)CC[C@H]1c1cccnc1 ZINC000013738873 173205291 /nfs/dbraw/zinc/20/52/91/173205291.db2.gz SXNWJPFRPOBTBC-CVEARBPZSA-N 1 0 238.334 3.590 10 0 BHAERO CCC[NH+](CCC)[C@@H]1C[C@H]1c1ccccc1OC ZINC000013755513 169150522 /nfs/dbraw/zinc/15/05/22/169150522.db2.gz NHIZHIQMHLZUQZ-LSDHHAIUSA-N 1 0 247.382 3.673 10 0 BHAERO CCC[NH+](CCC)[C@H]1CCc2c(F)cccc2C1 ZINC000013759322 169152846 /nfs/dbraw/zinc/15/28/46/169152846.db2.gz WFENTJXFRAVXHY-AWEZNQCLSA-N 1 0 249.373 3.805 10 0 BHAERO C[NH+](C)CCCCOc1cccc2ccccc21 ZINC000013776464 172430846 /nfs/dbraw/zinc/43/08/46/172430846.db2.gz OQKADHDQMGPYLT-UHFFFAOYSA-N 1 0 243.350 3.560 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](c2cccc(C)c2C)C1 ZINC000013782149 169194876 /nfs/dbraw/zinc/19/48/76/169194876.db2.gz AORDKZRSVBDZJZ-OAHLLOKOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2cccc(C)c2C)C1 ZINC000013782150 169197942 /nfs/dbraw/zinc/19/79/42/169197942.db2.gz AORDKZRSVBDZJZ-HNNXBMFYSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@@H](c2ccc(C)cc2C)C1 ZINC000013782151 169195723 /nfs/dbraw/zinc/19/57/23/169195723.db2.gz XMWBOCKXCDCQOT-OAHLLOKOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2ccc(C)cc2C)C1 ZINC000013782152 169197856 /nfs/dbraw/zinc/19/78/56/169197856.db2.gz XMWBOCKXCDCQOT-HNNXBMFYSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@@H](c2cc(C)ccc2C)C1 ZINC000013782153 169194124 /nfs/dbraw/zinc/19/41/24/169194124.db2.gz SSDVDUAQCIGPNR-OAHLLOKOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2cc(C)ccc2C)C1 ZINC000013782154 169199063 /nfs/dbraw/zinc/19/90/63/169199063.db2.gz SSDVDUAQCIGPNR-HNNXBMFYSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@@H](c2c(C)cccc2C)C1 ZINC000013782155 169195483 /nfs/dbraw/zinc/19/54/83/169195483.db2.gz HBTLGWNZDLWXQJ-OAHLLOKOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2c(C)cccc2C)C1 ZINC000013782156 169197966 /nfs/dbraw/zinc/19/79/66/169197966.db2.gz HBTLGWNZDLWXQJ-HNNXBMFYSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000013782157 169195215 /nfs/dbraw/zinc/19/52/15/169195215.db2.gz AMPXVBOIQBSQML-OAHLLOKOSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO CCC[N@@H+]1CCC[C@H](c2cc(C)cc(C)c2)C1 ZINC000013782158 169199091 /nfs/dbraw/zinc/19/90/91/169199091.db2.gz AMPXVBOIQBSQML-HNNXBMFYSA-N 1 0 231.383 3.893 10 0 in-vivo BHAERO Cc1cccc2c1Cc1c-2[nH+]c2ccccc2c1N ZINC000013808521 179218282 /nfs/dbraw/zinc/21/82/82/179218282.db2.gz DKKGRNTXCNVFPV-UHFFFAOYSA-N 1 0 246.313 3.697 10 0 BHAERO Cc1ccc2c(c1)-c1[nH+]c3ccccc3c(N)c1C2 ZINC000013808523 343104538 /nfs/dbraw/zinc/10/45/38/343104538.db2.gz ZVNZKFGWNIWFMC-UHFFFAOYSA-N 1 0 246.313 3.697 10 0 BHAERO C[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000013820949 343105207 /nfs/dbraw/zinc/10/52/07/343105207.db2.gz DVWYTXULDUSWQH-GJZGRUSLSA-N 1 0 239.362 3.968 10 0 BHAERO C=CC[C@@H]1c2ccccc2CC[C@@H]1[NH2+]CCC ZINC000013826010 343105291 /nfs/dbraw/zinc/10/52/91/343105291.db2.gz BZQXDYYMAHDTFU-CVEARBPZSA-N 1 0 229.367 3.661 10 0 BHAERO CCC[NH2+][C@H]1CCc2cccc(O)c2[C@H]1CCC ZINC000013826062 343105220 /nfs/dbraw/zinc/10/52/20/343105220.db2.gz UKUSJXLXAWCDDW-KBPBESRZSA-N 1 0 247.382 3.590 10 0 BHAERO CC(C)=CCC/C(C)=C/C[NH2+]Cc1cccnc1 ZINC000013827402 343105116 /nfs/dbraw/zinc/10/51/16/343105116.db2.gz RVKRRDUUQJBFOY-OQLLNIDSSA-N 1 0 244.382 3.864 10 0 BHAERO C[C@@H]1C[C@@H]2CCCC[C@]2([NH3+])c2ccccc21 ZINC000013831978 343105623 /nfs/dbraw/zinc/10/56/23/343105623.db2.gz JRUKCOBJHNDAFH-TYNCELHUSA-N 1 0 215.340 3.538 10 0 BHAERO C[NH2+][C@]12CCCC[C@H]1C[C@@H](C)c1ccccc12 ZINC000013831982 384877430 /nfs/dbraw/zinc/87/74/30/384877430.db2.gz LATMEMFFKNJSDV-DVOMOZLQSA-N 1 0 229.367 3.799 10 0 BHAERO C[NH2+][C@]12CCCC[C@H]1C[C@H](C)c1ccccc12 ZINC000013831983 343105634 /nfs/dbraw/zinc/10/56/34/343105634.db2.gz LATMEMFFKNJSDV-HEHGZKQESA-N 1 0 229.367 3.799 10 0 BHAERO C[NH2+][C@]12CC=CC[C@H]1C[C@@H](C)c1ccccc12 ZINC000013831984 384878179 /nfs/dbraw/zinc/87/81/79/384878179.db2.gz DYWTYZQHULDNCR-DVOMOZLQSA-N 1 0 227.351 3.575 10 0 BHAERO C[NH2+][C@]12CC=CC[C@H]1C[C@H](C)c1ccccc12 ZINC000013831985 343105666 /nfs/dbraw/zinc/10/56/66/343105666.db2.gz DYWTYZQHULDNCR-HEHGZKQESA-N 1 0 227.351 3.575 10 0 BHAERO C[C@@H](C[NH3+])c1ccc(-c2ccccc2F)cc1 ZINC000013835058 343106054 /nfs/dbraw/zinc/10/60/54/343106054.db2.gz LPACSDZEDNCENM-NSHDSACASA-N 1 0 229.298 3.555 10 0 BHAERO C[C@H](C[NH3+])c1ccc(-c2ccccc2F)cc1 ZINC000013835059 176662938 /nfs/dbraw/zinc/66/29/38/176662938.db2.gz LPACSDZEDNCENM-LLVKDONJSA-N 1 0 229.298 3.555 10 0 BHAERO Nc1c2c([nH+]c3cccc(Cl)c13)CCCCC2 ZINC000013864105 343107570 /nfs/dbraw/zinc/10/75/70/343107570.db2.gz KAAAIHLOSOSBCH-UHFFFAOYSA-N 1 0 246.741 3.739 10 0 BHAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000013888458 176511509 /nfs/dbraw/zinc/51/15/09/176511509.db2.gz SZNKIJVBDJSGHS-OAHLLOKOSA-N 1 0 245.753 3.757 10 0 BHAERO C[C@H]1C[N@H+](C)CCc2ccc(Cl)c(Cl)c21 ZINC000013978824 177233711 /nfs/dbraw/zinc/23/37/11/177233711.db2.gz APEKSNHUILZZDC-QMMMGPOBSA-N 1 0 244.165 3.585 10 0 BHAERO C[C@@H]1CC[C@@H]2[C@@H](C)CC[C@@H](c3ccoc3)[N@@H+]2C1 ZINC000014962627 384540351 /nfs/dbraw/zinc/54/03/51/384540351.db2.gz VACYOTYBTLYIEB-OSRDXIQISA-N 1 0 233.355 3.851 10 0 BHAERO CCc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000015014363 171833467 /nfs/dbraw/zinc/83/34/67/171833467.db2.gz PRXZDHJMSAOMKD-HNNXBMFYSA-N 1 0 217.356 3.829 10 0 BHAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1C ZINC000015014370 175178912 /nfs/dbraw/zinc/17/89/12/175178912.db2.gz YSDMRWISLKFRAG-HNNXBMFYSA-N 1 0 233.355 3.584 10 0 BHAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1C ZINC000015014372 175191132 /nfs/dbraw/zinc/19/11/32/175191132.db2.gz YSDMRWISLKFRAG-OAHLLOKOSA-N 1 0 233.355 3.584 10 0 BHAERO [NH3+][C@H](c1ccc2c(c1)CCC2)C1CCCCC1 ZINC000015014376 181632396 /nfs/dbraw/zinc/63/23/96/181632396.db2.gz OMDVBCLUXGIDRS-INIZCTEOSA-N 1 0 229.367 3.755 10 0 BHAERO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000015062744 342891289 /nfs/dbraw/zinc/89/12/89/342891289.db2.gz JCZATRJEGXWCBH-HNNXBMFYSA-N 1 0 242.366 3.743 10 0 BHAERO CC(C)C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000015062745 342891445 /nfs/dbraw/zinc/89/14/45/342891445.db2.gz JCZATRJEGXWCBH-OAHLLOKOSA-N 1 0 242.366 3.743 10 0 BHAERO C[C@H]1[C@H]([NH2+]Cc2cccs2)CCC[C@@H]1C ZINC000015416593 177122857 /nfs/dbraw/zinc/12/28/57/177122857.db2.gz OOCOMBWGZIHIQR-DMDPSCGWSA-N 1 0 223.385 3.662 10 0 BHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000015416599 177137175 /nfs/dbraw/zinc/13/71/75/177137175.db2.gz OOCOMBWGZIHIQR-LOWVWBTDSA-N 1 0 223.385 3.662 10 0 BHAERO [NH2+]=C(SCc1ccccc1)c1ccccc1 ZINC000015771838 385344895 /nfs/dbraw/zinc/34/48/95/385344895.db2.gz VUSXWPVCSGRKMO-UHFFFAOYSA-N 1 0 227.332 3.945 10 0 BHAERO [NH3+]C1(Cc2c(F)cccc2Cl)CCCCC1 ZINC000016755096 181332339 /nfs/dbraw/zinc/33/23/39/181332339.db2.gz FWBKWFOYBCWGMW-UHFFFAOYSA-N 1 0 241.737 3.683 10 0 BHAERO [NH3+]C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000016755398 181332594 /nfs/dbraw/zinc/33/25/94/181332594.db2.gz BORICHISXYNFQH-UHFFFAOYSA-N 1 0 223.747 3.544 10 0 BHAERO [NH3+]C1(Cc2ccc(Cl)cc2)CCCCC1 ZINC000016764314 181332157 /nfs/dbraw/zinc/33/21/57/181332157.db2.gz HKQHVKRGVHILGE-UHFFFAOYSA-N 1 0 223.747 3.544 10 0 BHAERO [NH3+]C1(Cc2ccccc2Cl)CCCCC1 ZINC000016771338 181332366 /nfs/dbraw/zinc/33/23/66/181332366.db2.gz UKVUORKMJGIIQP-UHFFFAOYSA-N 1 0 223.747 3.544 10 0 BHAERO CC(C)c1ccc(CC2([NH3+])CCCC2)cc1 ZINC000016787150 167592766 /nfs/dbraw/zinc/59/27/66/167592766.db2.gz CFQJYOQEZWHAJT-UHFFFAOYSA-N 1 0 217.356 3.624 10 0 BHAERO CCC([NH3+])(CC)Cc1c(F)cccc1Cl ZINC000016810474 168417036 /nfs/dbraw/zinc/41/70/36/168417036.db2.gz KKFFKNVLNHXRPT-UHFFFAOYSA-N 1 0 229.726 3.539 10 0 BHAERO CC1=C[C@@H](c2ccccc2)[NH+]=C(c2ccccc2)N1 ZINC000016887363 168125125 /nfs/dbraw/zinc/12/51/25/168125125.db2.gz OVCSIQFHOSJUDA-INIZCTEOSA-N 1 0 248.329 3.682 10 0 BHAERO CC1=C[C@H](c2ccccc2)[NH+]=C(c2ccccc2)N1 ZINC000016887364 168132251 /nfs/dbraw/zinc/13/22/51/168132251.db2.gz OVCSIQFHOSJUDA-MRXNPFEDSA-N 1 0 248.329 3.682 10 0 BHAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000019233123 176683268 /nfs/dbraw/zinc/68/32/68/176683268.db2.gz ASGHAQKYNSSXID-SQWLQELKSA-N 1 0 231.383 3.958 10 0 BHAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000019260777 170870943 /nfs/dbraw/zinc/87/09/43/170870943.db2.gz DDBPDVBRSBRJAF-OAHLLOKOSA-N 1 0 241.334 3.675 10 0 BHAERO Cc1ccc([C@@H]([NH3+])COC2CCCCC2)c(C)c1 ZINC000019262079 178859975 /nfs/dbraw/zinc/85/99/75/178859975.db2.gz LMEYBTLMRJUPMG-INIZCTEOSA-N 1 0 247.382 3.653 10 0 BHAERO CC[C@@H]1CCCC[C@H]1OCc1ccccc1C[NH3+] ZINC000019263918 170971520 /nfs/dbraw/zinc/97/15/20/170971520.db2.gz KQJQWTJIYFBGJJ-CZUORRHYSA-N 1 0 247.382 3.631 10 0 BHAERO CC[C@H]1CCCC[C@H]1OCc1ccccc1C[NH3+] ZINC000019263923 171613127 /nfs/dbraw/zinc/61/31/27/171613127.db2.gz KQJQWTJIYFBGJJ-XJKSGUPXSA-N 1 0 247.382 3.631 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])COC1CCC(C)CC1 ZINC000019270516 179344121 /nfs/dbraw/zinc/34/41/21/179344121.db2.gz HCLQFOLTTOWOAZ-LDZOIKDWSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])COC1CCC(C)CC1 ZINC000019270519 179325342 /nfs/dbraw/zinc/32/53/42/179325342.db2.gz HCLQFOLTTOWOAZ-PXCJXSSVSA-N 1 0 247.382 3.590 10 0 BHAERO CC[C@@H]1CCCC[C@H]1OCc1cccc(C[NH3+])c1 ZINC000019273409 170971802 /nfs/dbraw/zinc/97/18/02/170971802.db2.gz PSEYSAYGEHEMQL-HZPDHXFCSA-N 1 0 247.382 3.631 10 0 BHAERO CC[C@H]1CCCC[C@H]1OCc1cccc(C[NH3+])c1 ZINC000019273411 171612902 /nfs/dbraw/zinc/61/29/02/171612902.db2.gz PSEYSAYGEHEMQL-JKSUJKDBSA-N 1 0 247.382 3.631 10 0 BHAERO CC(C)COC[C@H]([NH3+])c1cccc2ccccc21 ZINC000019274323 188280331 /nfs/dbraw/zinc/28/03/31/188280331.db2.gz YACXQUCXOOEUCF-INIZCTEOSA-N 1 0 243.350 3.512 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@H]1CCCC[C@@H]1C ZINC000019277738 179343479 /nfs/dbraw/zinc/34/34/79/179343479.db2.gz QHGMGBHZIYPVLX-IMJJTQAJSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@@H]1CCCC[C@@H]1C ZINC000019277742 179344173 /nfs/dbraw/zinc/34/41/73/179344173.db2.gz QHGMGBHZIYPVLX-NUEKZKHPSA-N 1 0 247.382 3.590 10 0 BHAERO CCCCCOc1ccc([C@@H]([NH3+])CC)cc1 ZINC000019399482 168730723 /nfs/dbraw/zinc/73/07/23/168730723.db2.gz PBVOMHZCUWEJQS-AWEZNQCLSA-N 1 0 221.344 3.665 10 0 BHAERO Cc1ccc([C@@H]([NH3+])COC2CCCCC2)cc1C ZINC000019402002 178859748 /nfs/dbraw/zinc/85/97/48/178859748.db2.gz WEEPEMZCGUFMSM-INIZCTEOSA-N 1 0 247.382 3.653 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000019407374 170968477 /nfs/dbraw/zinc/96/84/77/170968477.db2.gz IIVGLOWPYADVHC-CVEARBPZSA-N 1 0 247.382 3.631 10 0 BHAERO CC[C@@H]1CCCC[C@H]1OCc1ccc(C[NH3+])cc1 ZINC000019407378 170971494 /nfs/dbraw/zinc/97/14/94/170971494.db2.gz IIVGLOWPYADVHC-HZPDHXFCSA-N 1 0 247.382 3.631 10 0 BHAERO [NH3+][C@H](c1ccccc1)c1c(F)cccc1Cl ZINC000019415492 181633402 /nfs/dbraw/zinc/63/34/02/181633402.db2.gz DWDSXNUFJAYAON-CYBMUJFWSA-N 1 0 235.689 3.527 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019424743 169008973 /nfs/dbraw/zinc/00/89/73/169008973.db2.gz XWMATEXNOIDDRI-NSHDSACASA-N 1 0 242.160 3.639 10 0 BHAERO CC(C)c1ccc(SCCCC[NH3+])cc1 ZINC000019686443 167610950 /nfs/dbraw/zinc/61/09/50/167610950.db2.gz JCSZTZSTSZBDBD-UHFFFAOYSA-N 1 0 223.385 3.641 10 0 BHAERO CC(C)(C)c1ccc(SCCCC[NH3+])cc1 ZINC000019686491 188281915 /nfs/dbraw/zinc/28/19/15/188281915.db2.gz DJRRKZGLFLNSLP-UHFFFAOYSA-N 1 0 237.412 3.815 10 0 BHAERO C[C@H]([NH3+])c1c2ccccc2[nH]c1-c1ccccc1 ZINC000019725265 176773046 /nfs/dbraw/zinc/77/30/46/176773046.db2.gz TXWYASDHSYSSAW-NSHDSACASA-N 1 0 236.318 3.855 10 0 BHAERO CC(C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019726131 167396864 /nfs/dbraw/zinc/39/68/64/167396864.db2.gz UNDFUAWBAHPAGT-CQSZACIVSA-N 1 0 219.372 3.682 10 0 BHAERO CC(C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019726159 167397253 /nfs/dbraw/zinc/39/72/53/167397253.db2.gz VGPHSMPENIQKHE-SECBINFHSA-N 1 0 232.154 3.692 10 0 BHAERO Cc1ccc([C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000019726307 178854177 /nfs/dbraw/zinc/85/41/77/178854177.db2.gz RFHGBUBYPSUUQY-HNNXBMFYSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1ccc([C@H](C[NH3+])C2CCCCC2)cc1C ZINC000019726316 178904502 /nfs/dbraw/zinc/90/45/02/178904502.db2.gz GXJSOXRTTRFAQA-MRXNPFEDSA-N 1 0 231.383 3.926 10 0 BHAERO [NH3+]C[C@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000019726323 181453925 /nfs/dbraw/zinc/45/39/25/181453925.db2.gz QKAHMHKQKHXKQJ-AWEZNQCLSA-N 1 0 237.774 3.963 10 0 BHAERO COc1ccc(C)cc1[C@@H](C[NH3+])C1CCCCC1 ZINC000019726333 175079996 /nfs/dbraw/zinc/07/99/96/175079996.db2.gz MPASRJKZLWRAOP-HNNXBMFYSA-N 1 0 247.382 3.626 10 0 BHAERO COc1ccc(C)cc1[C@H](C[NH3+])C1CCCCC1 ZINC000019726334 175082210 /nfs/dbraw/zinc/08/22/10/175082210.db2.gz MPASRJKZLWRAOP-OAHLLOKOSA-N 1 0 247.382 3.626 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CCCC2 ZINC000019727457 188107979 /nfs/dbraw/zinc/10/79/79/188107979.db2.gz ZCPASDRPFNINFP-CQSZACIVSA-N 1 0 217.356 3.710 10 0 BHAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CCC ZINC000019750220 169008519 /nfs/dbraw/zinc/00/85/19/169008519.db2.gz KRILYMWHYRZSCM-LBPRGKRZSA-N 1 0 245.370 3.636 10 0 BHAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000019750243 169009601 /nfs/dbraw/zinc/00/96/01/169009601.db2.gz VYJQRXPLXZEIMU-LBPRGKRZSA-N 1 0 245.370 3.807 10 0 BHAERO C[NH2+]Cc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC000019777504 173388626 /nfs/dbraw/zinc/38/86/26/173388626.db2.gz NCWHMBMXKDACSP-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]Cc1ccc(Oc2cc(C)ccc2C)cc1 ZINC000019777506 173388620 /nfs/dbraw/zinc/38/86/20/173388620.db2.gz GLZVWPKANLOFDW-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccc(C)c(C)c2)cc1 ZINC000019777508 173389235 /nfs/dbraw/zinc/38/92/35/173389235.db2.gz SPBXBGTYNOLGLV-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccc(C)cc2C)cc1 ZINC000019777509 173388932 /nfs/dbraw/zinc/38/89/32/173388932.db2.gz NMOXVVOJEKBORO-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]CCCCc1ccc(C(C)(C)C)cc1 ZINC000019788121 173346218 /nfs/dbraw/zinc/34/62/18/173346218.db2.gz JILLSKJBQSKJOK-UHFFFAOYSA-N 1 0 219.372 3.526 10 0 BHAERO CC[C@H](C)[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000019803456 171380907 /nfs/dbraw/zinc/38/09/07/171380907.db2.gz DMPWLPOSAFTMDC-QEJZJMRPSA-N 1 0 217.356 3.568 10 0 BHAERO [NH3+][C@@H](CCC1CCCC1)c1ccc(F)cc1 ZINC000019804046 181542944 /nfs/dbraw/zinc/54/29/44/181542944.db2.gz SLWVZVWONZZCPD-AWEZNQCLSA-N 1 0 221.319 3.796 10 0 BHAERO CC(C)(c1ccccc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000019804050 187252746 /nfs/dbraw/zinc/25/27/46/187252746.db2.gz NTKPHVWABGWRAZ-HNNXBMFYSA-N 1 0 243.325 3.803 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000019804068 179324235 /nfs/dbraw/zinc/32/42/35/179324235.db2.gz TUBGDDJIODQHPY-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000019804069 179343357 /nfs/dbraw/zinc/34/33/57/179343357.db2.gz TUBGDDJIODQHPY-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019804083 179187182 /nfs/dbraw/zinc/18/71/82/179187182.db2.gz OJESWJQURUAGJY-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019804084 179200704 /nfs/dbraw/zinc/20/07/04/179200704.db2.gz OJESWJQURUAGJY-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)cc1 ZINC000019804175 175178881 /nfs/dbraw/zinc/17/88/81/175178881.db2.gz YLEOFINHPDYVGX-HNNXBMFYSA-N 1 0 233.355 3.665 10 0 BHAERO COc1ccc([C@H]([NH3+])CCC2CCCC2)cc1 ZINC000019804176 175192369 /nfs/dbraw/zinc/19/23/69/175192369.db2.gz YLEOFINHPDYVGX-OAHLLOKOSA-N 1 0 233.355 3.665 10 0 BHAERO C[C@H]([NH3+])c1cccc(OCC2CCCCC2)c1 ZINC000019805252 176777237 /nfs/dbraw/zinc/77/72/37/176777237.db2.gz VZYNTDCJGGGFKE-LBPRGKRZSA-N 1 0 233.355 3.665 10 0 BHAERO CCC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019807402 169274652 /nfs/dbraw/zinc/27/46/52/169274652.db2.gz XPHNKKIXFUTQRD-DYQPHDICSA-N 1 0 221.388 3.591 10 0 BHAERO CCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019807403 169285966 /nfs/dbraw/zinc/28/59/66/169285966.db2.gz XPHNKKIXFUTQRD-SHIHICALSA-N 1 0 221.388 3.591 10 0 BHAERO CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000019807412 169276200 /nfs/dbraw/zinc/27/62/00/169276200.db2.gz TZOIIRRLXGTIKN-ZDUSSCGKSA-N 1 0 205.345 3.672 10 0 BHAERO CCC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000019807413 169286678 /nfs/dbraw/zinc/28/66/78/169286678.db2.gz TZOIIRRLXGTIKN-CYBMUJFWSA-N 1 0 205.345 3.672 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019808048 170142070 /nfs/dbraw/zinc/14/20/70/170142070.db2.gz DRHSCOGPNXDYNR-LBPRGKRZSA-N 1 0 237.346 3.928 10 0 BHAERO CC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019808049 170159525 /nfs/dbraw/zinc/15/95/25/170159525.db2.gz DRHSCOGPNXDYNR-GFCCVEGCSA-N 1 0 237.346 3.928 10 0 BHAERO CC(C)Cc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019808186 187252891 /nfs/dbraw/zinc/25/28/91/187252891.db2.gz ZUFSZMVEKRBMPW-HNNXBMFYSA-N 1 0 217.356 3.700 10 0 BHAERO CC[C@@H](C)c1ccccc1OC[C@@H]1CCCC[NH2+]1 ZINC000019808973 170806234 /nfs/dbraw/zinc/80/62/34/170806234.db2.gz YVRUWXDRHLCESC-KGLIPLIRSA-N 1 0 247.382 3.721 10 0 BHAERO CC[C@@H](C)c1ccccc1OC[C@H]1CCCC[NH2+]1 ZINC000019808975 170806080 /nfs/dbraw/zinc/80/60/80/170806080.db2.gz YVRUWXDRHLCESC-ZIAGYGMSSA-N 1 0 247.382 3.721 10 0 BHAERO CC(C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2s1 ZINC000019815049 187314349 /nfs/dbraw/zinc/31/43/49/187314349.db2.gz PADFXEVRJYBANT-SNVBAGLBSA-N 1 0 240.759 3.606 10 0 BHAERO c1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC000019835057 183379833 /nfs/dbraw/zinc/37/98/33/183379833.db2.gz LLCOFJXNVPRWLK-UHFFFAOYSA-N 1 0 237.346 3.821 10 0 BHAERO [NH3+][C@@H](CCC1CCCC1)c1cccs1 ZINC000019842139 181542671 /nfs/dbraw/zinc/54/26/71/181542671.db2.gz XIBSOAAEXASCEK-NSHDSACASA-N 1 0 209.358 3.718 10 0 BHAERO CC(C)(c1ccccc1)[C@H]([NH3+])c1cccs1 ZINC000019842257 188281438 /nfs/dbraw/zinc/28/14/38/188281438.db2.gz CQHTXLOPYJPMBP-CYBMUJFWSA-N 1 0 231.364 3.726 10 0 BHAERO C[C@H]([NH3+])c1c(F)cccc1N(C)c1ccccc1 ZINC000019872048 176774358 /nfs/dbraw/zinc/77/43/58/176774358.db2.gz GYEJQDXPYOTGLI-NSHDSACASA-N 1 0 244.313 3.613 10 0 BHAERO CCN(c1ccccc1)c1ccc([C@H](C)[NH3+])cc1 ZINC000019872558 169944183 /nfs/dbraw/zinc/94/41/83/169944183.db2.gz SJXBCRQIWMYNPK-ZDUSSCGKSA-N 1 0 240.350 3.864 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@@H]1CCCC[C@@H]1C ZINC000019873147 177090369 /nfs/dbraw/zinc/09/03/69/177090369.db2.gz ARWVLDQXBORYHT-OUCADQQQSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCCC[C@@H]1C ZINC000019873149 177084022 /nfs/dbraw/zinc/08/40/22/177084022.db2.gz ARWVLDQXBORYHT-SCRDCRAPSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCCC[C@@H]2C)cc1 ZINC000019873159 177090319 /nfs/dbraw/zinc/09/03/19/177090319.db2.gz HCMSMOJVEQETRS-YWPYICTPSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCCC[C@@H]2C)cc1 ZINC000019873161 177084263 /nfs/dbraw/zinc/08/42/63/177084263.db2.gz HCMSMOJVEQETRS-ZOWXZIJZSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)c1ccccc1 ZINC000019873193 177024366 /nfs/dbraw/zinc/02/43/66/177024366.db2.gz OPQNEHOLBQTRKF-OLZOCXBDSA-N 1 0 241.334 3.846 10 0 BHAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2F)cc1 ZINC000019873240 178820744 /nfs/dbraw/zinc/82/07/44/178820744.db2.gz OUXGYSVYLTXMEV-NSHDSACASA-N 1 0 245.297 3.946 10 0 BHAERO CC(C)C[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1F ZINC000019873317 187589779 /nfs/dbraw/zinc/58/97/79/187589779.db2.gz JKPBZSLSUSHDOV-MNOVXSKESA-N 1 0 239.334 3.659 10 0 BHAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(F)cc1F ZINC000019873439 176778765 /nfs/dbraw/zinc/77/87/65/176778765.db2.gz ABPRIHPMPFWFPA-VIFPVBQESA-N 1 0 249.260 3.777 10 0 BHAERO COc1cccc(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000019873536 175285152 /nfs/dbraw/zinc/28/51/52/175285152.db2.gz NWCUTOYOMIMACG-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1cccc(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000019873537 175284682 /nfs/dbraw/zinc/28/46/82/175284682.db2.gz NWCUTOYOMIMACG-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO COc1cccc(Oc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000019873542 175284767 /nfs/dbraw/zinc/28/47/67/175284767.db2.gz GVBJDSWBZKPFIO-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1cccc(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000019873543 175284905 /nfs/dbraw/zinc/28/49/05/175284905.db2.gz GVBJDSWBZKPFIO-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2F)cc1 ZINC000019873557 176776868 /nfs/dbraw/zinc/77/68/68/176776868.db2.gz XDIWCFCLYWMQDK-JTQLQIEISA-N 1 0 231.270 3.638 10 0 BHAERO Cc1cccc(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000019873629 187590013 /nfs/dbraw/zinc/59/00/13/187590013.db2.gz MJJLSYDCKWGRCH-GFCCVEGCSA-N 1 0 227.307 3.807 10 0 BHAERO Cc1ccccc1Oc1ccccc1[C@@H](C)[NH3+] ZINC000019873642 179313761 /nfs/dbraw/zinc/31/37/61/179313761.db2.gz CCIYGLWNHYXGQD-GFCCVEGCSA-N 1 0 227.307 3.807 10 0 BHAERO Cc1ccccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000019873643 179313853 /nfs/dbraw/zinc/31/38/53/179313853.db2.gz CCIYGLWNHYXGQD-LBPRGKRZSA-N 1 0 227.307 3.807 10 0 BHAERO Cc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873644 179313721 /nfs/dbraw/zinc/31/37/21/179313721.db2.gz FMZQVYJULYTDRH-LLVKDONJSA-N 1 0 245.297 3.946 10 0 BHAERO Cc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1F ZINC000019873645 179314421 /nfs/dbraw/zinc/31/44/21/179314421.db2.gz FMZQVYJULYTDRH-NSHDSACASA-N 1 0 245.297 3.946 10 0 BHAERO Cc1ccccc1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019873646 179314591 /nfs/dbraw/zinc/31/45/91/179314591.db2.gz YIEMICSOWAXZJC-LLVKDONJSA-N 1 0 245.297 3.946 10 0 BHAERO Cc1ccccc1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000019873647 179313859 /nfs/dbraw/zinc/31/38/59/179313859.db2.gz YIEMICSOWAXZJC-NSHDSACASA-N 1 0 245.297 3.946 10 0 BHAERO Cc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000019873648 179313863 /nfs/dbraw/zinc/31/38/63/179313863.db2.gz AYZHESHBBHDIMG-GFCCVEGCSA-N 1 0 227.307 3.807 10 0 BHAERO Cc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000019873649 179314290 /nfs/dbraw/zinc/31/42/90/179314290.db2.gz AYZHESHBBHDIMG-LBPRGKRZSA-N 1 0 227.307 3.807 10 0 BHAERO Cc1ccccc1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000019873650 179314221 /nfs/dbraw/zinc/31/42/21/179314221.db2.gz CERVIMOBLBWWQH-LLVKDONJSA-N 1 0 245.297 3.946 10 0 BHAERO Cc1ccccc1Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000019873651 179313878 /nfs/dbraw/zinc/31/38/78/179313878.db2.gz CERVIMOBLBWWQH-NSHDSACASA-N 1 0 245.297 3.946 10 0 BHAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000019873657 176776644 /nfs/dbraw/zinc/77/66/44/176776644.db2.gz VYJPNYKYFMKILG-VIFPVBQESA-N 1 0 249.260 3.777 10 0 BHAERO COc1ccccc1Oc1ccccc1[C@@H](C)[NH3+] ZINC000019873706 175342304 /nfs/dbraw/zinc/34/23/04/175342304.db2.gz QKIAGGFOMFNSJM-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000019873707 175342825 /nfs/dbraw/zinc/34/28/25/175342825.db2.gz QKIAGGFOMFNSJM-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000019873712 175342492 /nfs/dbraw/zinc/34/24/92/175342492.db2.gz FJPKPKCGSDCCAJ-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000019873713 175342594 /nfs/dbraw/zinc/34/25/94/175342594.db2.gz FJPKPKCGSDCCAJ-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO C[C@@H]([NH3+])c1ccc(Oc2cccc(F)c2)cc1 ZINC000019873722 175817819 /nfs/dbraw/zinc/81/78/19/175817819.db2.gz XHADYJFDLGUZNA-SNVBAGLBSA-N 1 0 231.270 3.638 10 0 BHAERO C[C@H]([NH3+])c1ccc(Oc2cccc(F)c2)cc1 ZINC000019873724 176776406 /nfs/dbraw/zinc/77/64/06/176776406.db2.gz XHADYJFDLGUZNA-JTQLQIEISA-N 1 0 231.270 3.638 10 0 BHAERO COc1ccc(Oc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000019873731 175173738 /nfs/dbraw/zinc/17/37/38/175173738.db2.gz ASRHQTAFQDMYHZ-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccc(Oc2ccccc2[C@H](C)[NH3+])cc1 ZINC000019873733 175173647 /nfs/dbraw/zinc/17/36/47/175173647.db2.gz ASRHQTAFQDMYHZ-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000019873741 175174006 /nfs/dbraw/zinc/17/40/06/175174006.db2.gz HARXHANQWUKSCS-LLVKDONJSA-N 1 0 243.306 3.507 10 0 BHAERO COc1ccc(Oc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000019873743 175173418 /nfs/dbraw/zinc/17/34/18/175173418.db2.gz HARXHANQWUKSCS-NSHDSACASA-N 1 0 243.306 3.507 10 0 BHAERO CC[C@H](C)Sc1ccccc1[C@@H](C)[NH3+] ZINC000019873771 171357038 /nfs/dbraw/zinc/35/70/38/171357038.db2.gz KRUDSFXFBGNLKC-VHSXEESVSA-N 1 0 209.358 3.597 10 0 BHAERO CC[C@H](C)Sc1ccccc1[C@H](C)[NH3+] ZINC000019873774 171357256 /nfs/dbraw/zinc/35/72/56/171357256.db2.gz KRUDSFXFBGNLKC-UWVGGRQHSA-N 1 0 209.358 3.597 10 0 BHAERO CC[C@H](C)Sc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873778 171357166 /nfs/dbraw/zinc/35/71/66/171357166.db2.gz OJUBQKVSVALPOI-DTWKUNHWSA-N 1 0 227.348 3.736 10 0 BHAERO CC[C@H](C)Sc1ccc([C@H](C)[NH3+])cc1F ZINC000019873781 171357137 /nfs/dbraw/zinc/35/71/37/171357137.db2.gz OJUBQKVSVALPOI-IUCAKERBSA-N 1 0 227.348 3.736 10 0 BHAERO CC[C@H](C)Sc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019873784 171356784 /nfs/dbraw/zinc/35/67/84/171356784.db2.gz PXXZERFXWWIWCY-DTWKUNHWSA-N 1 0 227.348 3.736 10 0 BHAERO CC[C@H](C)Sc1ccc(F)cc1[C@H](C)[NH3+] ZINC000019873786 171356987 /nfs/dbraw/zinc/35/69/87/171356987.db2.gz PXXZERFXWWIWCY-IUCAKERBSA-N 1 0 227.348 3.736 10 0 BHAERO CC[C@H](C)Sc1ccc([C@@H](C)[NH3+])cc1 ZINC000019873788 171356766 /nfs/dbraw/zinc/35/67/66/171356766.db2.gz LLCYBCZXLYXBOU-VHSXEESVSA-N 1 0 209.358 3.597 10 0 BHAERO CC[C@H](C)Sc1ccc([C@H](C)[NH3+])cc1 ZINC000019873790 171356929 /nfs/dbraw/zinc/35/69/29/171356929.db2.gz LLCYBCZXLYXBOU-UWVGGRQHSA-N 1 0 209.358 3.597 10 0 BHAERO CC[C@H](C)Sc1cccc(F)c1[C@@H](C)[NH3+] ZINC000019873792 171357082 /nfs/dbraw/zinc/35/70/82/171357082.db2.gz BNXHVLMHEQDLDJ-DTWKUNHWSA-N 1 0 227.348 3.736 10 0 BHAERO CC[C@H](C)Sc1cccc(F)c1[C@H](C)[NH3+] ZINC000019873794 171357323 /nfs/dbraw/zinc/35/73/23/171357323.db2.gz BNXHVLMHEQDLDJ-IUCAKERBSA-N 1 0 227.348 3.736 10 0 BHAERO C[C@H]([NH3+])c1ccccc1SC(C)(C)C ZINC000019873808 176778148 /nfs/dbraw/zinc/77/81/48/176778148.db2.gz ZSASFOBUSMNIBQ-VIFPVBQESA-N 1 0 209.358 3.597 10 0 BHAERO C[C@@H]([NH3+])c1cc(F)ccc1SC(C)(C)C ZINC000019873811 175816107 /nfs/dbraw/zinc/81/61/07/175816107.db2.gz IQHFLEMMXGCQJS-MRVPVSSYSA-N 1 0 227.348 3.736 10 0 BHAERO C[C@H]([NH3+])c1cc(F)ccc1SC(C)(C)C ZINC000019873813 176775095 /nfs/dbraw/zinc/77/50/95/176775095.db2.gz IQHFLEMMXGCQJS-QMMMGPOBSA-N 1 0 227.348 3.736 10 0 BHAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2)c(F)c1 ZINC000019873839 176776483 /nfs/dbraw/zinc/77/64/83/176776483.db2.gz LVCKIRVWWZBMHY-JTQLQIEISA-N 1 0 247.338 3.997 10 0 BHAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2)cc1 ZINC000019873842 175817979 /nfs/dbraw/zinc/81/79/79/175817979.db2.gz RLZJUHQATNPGCZ-LLVKDONJSA-N 1 0 229.348 3.858 10 0 BHAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2)cc1 ZINC000019873843 176776748 /nfs/dbraw/zinc/77/67/48/176776748.db2.gz RLZJUHQATNPGCZ-NSHDSACASA-N 1 0 229.348 3.858 10 0 BHAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2F)cc1 ZINC000019873923 175817895 /nfs/dbraw/zinc/81/78/95/175817895.db2.gz KDJTXWUAFVLJLS-SNVBAGLBSA-N 1 0 247.338 3.997 10 0 BHAERO CC[C@@H]([NH2+]C1CCCCC1)c1ccc(O)cc1 ZINC000019879048 170889624 /nfs/dbraw/zinc/88/96/24/170889624.db2.gz UIKWERJJWJMVBC-OAHLLOKOSA-N 1 0 233.355 3.766 10 0 BHAERO CCC(C)(C)[NH2+]Cc1ccccc1OC(F)F ZINC000019880261 168299216 /nfs/dbraw/zinc/29/92/16/168299216.db2.gz SRKNIVDCIMRWGU-UHFFFAOYSA-N 1 0 243.297 3.566 10 0 BHAERO CC(C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000019880512 167095484 /nfs/dbraw/zinc/09/54/84/167095484.db2.gz OTDDSMNYKPJKKR-UHFFFAOYSA-N 1 0 223.319 3.754 10 0 BHAERO CC(C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019880697 167129371 /nfs/dbraw/zinc/12/93/71/167129371.db2.gz QBMUTLCRMPDJDV-DYQPHDICSA-N 1 0 221.388 3.589 10 0 BHAERO CC(C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019880700 167138002 /nfs/dbraw/zinc/13/80/02/167138002.db2.gz QBMUTLCRMPDJDV-SHIHICALSA-N 1 0 221.388 3.589 10 0 BHAERO COc1ccc2cc([C@@H](C)[NH2+]C(C)C)ccc2c1 ZINC000019881061 175224630 /nfs/dbraw/zinc/22/46/30/175224630.db2.gz NGQMSMIGAVCRQD-GFCCVEGCSA-N 1 0 243.350 3.907 10 0 BHAERO COc1ccc2cc([C@H](C)[NH2+]C(C)C)ccc2c1 ZINC000019881063 175224868 /nfs/dbraw/zinc/22/48/68/175224868.db2.gz NGQMSMIGAVCRQD-LBPRGKRZSA-N 1 0 243.350 3.907 10 0 BHAERO CC[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019882379 170756423 /nfs/dbraw/zinc/75/64/23/170756423.db2.gz FIBSAHPAQWEHJO-SUEGBPSZSA-N 1 0 235.415 3.979 10 0 BHAERO CC[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019882381 171345103 /nfs/dbraw/zinc/34/51/03/171345103.db2.gz FIBSAHPAQWEHJO-RIIWJZGXSA-N 1 0 235.415 3.979 10 0 BHAERO CC[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019882385 171347722 /nfs/dbraw/zinc/34/77/22/171347722.db2.gz FIBSAHPAQWEHJO-JWBIGWHFSA-N 1 0 235.415 3.979 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)c(C)c1 ZINC000019883541 385162612 /nfs/dbraw/zinc/16/26/12/385162612.db2.gz LYHJHCZULVJGGH-CYBMUJFWSA-N 1 0 217.356 3.897 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]C2CCCC2)c(C)c1 ZINC000019883543 385160835 /nfs/dbraw/zinc/16/08/35/385160835.db2.gz LYHJHCZULVJGGH-ZDUSSCGKSA-N 1 0 217.356 3.897 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+]C2CCCC2)c1 ZINC000019883547 178499479 /nfs/dbraw/zinc/49/94/79/178499479.db2.gz AXPJXLOMWYFZEB-ZDUSSCGKSA-N 1 0 217.356 3.897 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1C ZINC000019883646 538929279 /nfs/dbraw/zinc/92/92/79/538929279.db2.gz XZNLHIWSDJIEDV-CYBMUJFWSA-N 1 0 217.356 3.897 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]C2CCCC2)cc1C ZINC000019883648 538929142 /nfs/dbraw/zinc/92/91/42/538929142.db2.gz XZNLHIWSDJIEDV-ZDUSSCGKSA-N 1 0 217.356 3.897 10 0 BHAERO CCC(CC)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000019883930 168391995 /nfs/dbraw/zinc/39/19/95/168391995.db2.gz FSTVIQKJVLCFMN-AWEZNQCLSA-N 1 0 221.344 3.622 10 0 BHAERO CCC(CC)[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000019883931 168392685 /nfs/dbraw/zinc/39/26/85/168392685.db2.gz FSTVIQKJVLCFMN-CQSZACIVSA-N 1 0 221.344 3.622 10 0 BHAERO Cc1cc(C)c([C@H](C)[NH2+]CC2CC2)c(C)c1 ZINC000019884933 177873943 /nfs/dbraw/zinc/87/39/43/177873943.db2.gz QBBMLLLZLIGTLD-ZDUSSCGKSA-N 1 0 217.356 3.672 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019901211 176907882 /nfs/dbraw/zinc/90/78/82/176907882.db2.gz PVJTXJMYMARXSY-JCWGXCKPSA-N 1 0 247.426 3.979 10 0 BHAERO CCCCC[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000019901396 168720035 /nfs/dbraw/zinc/72/00/35/168720035.db2.gz YHXFTSZIIDLOGS-AWEZNQCLSA-N 1 0 221.344 3.623 10 0 BHAERO CCCCC[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000019901398 168721547 /nfs/dbraw/zinc/72/15/47/168721547.db2.gz YHXFTSZIIDLOGS-CQSZACIVSA-N 1 0 221.344 3.623 10 0 BHAERO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000019902890 169370644 /nfs/dbraw/zinc/37/06/44/169370644.db2.gz ASMBEXPSIFPFGJ-RISCZKNCSA-N 1 0 221.344 3.622 10 0 BHAERO CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000019902892 169371764 /nfs/dbraw/zinc/37/17/64/169371764.db2.gz ASMBEXPSIFPFGJ-BXUZGUMPSA-N 1 0 221.344 3.622 10 0 BHAERO CCC[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000019903041 169371045 /nfs/dbraw/zinc/37/10/45/169371045.db2.gz GYTCBYUVFSSQDA-SECBINFHSA-N 1 0 229.726 3.757 10 0 BHAERO CCC[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000019903042 517605845 /nfs/dbraw/zinc/60/58/45/517605845.db2.gz GYTCBYUVFSSQDA-VIFPVBQESA-N 1 0 229.726 3.757 10 0 BHAERO COc1ccccc1C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000019903137 175329430 /nfs/dbraw/zinc/32/94/30/175329430.db2.gz MVNBBNFQTBQXJA-OCZCAGDBSA-N 1 0 247.382 3.610 10 0 BHAERO COc1ccccc1C[NH2+][C@@H](C)c1cccs1 ZINC000019903185 175329775 /nfs/dbraw/zinc/32/97/75/175329775.db2.gz KXSKOMDQKZUANT-NSHDSACASA-N 1 0 247.363 3.608 10 0 BHAERO COc1ccccc1C[NH2+][C@H](C)c1cccs1 ZINC000019903186 175331146 /nfs/dbraw/zinc/33/11/46/175331146.db2.gz KXSKOMDQKZUANT-LLVKDONJSA-N 1 0 247.363 3.608 10 0 BHAERO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019904799 174550409 /nfs/dbraw/zinc/55/04/09/174550409.db2.gz HHDIPZOKGAALCW-STQMWFEESA-N 1 0 249.398 3.670 10 0 BHAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019904803 347313040 /nfs/dbraw/zinc/31/30/40/347313040.db2.gz HHDIPZOKGAALCW-QWHCGFSZSA-N 1 0 249.398 3.670 10 0 BHAERO COC[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000019904852 347313423 /nfs/dbraw/zinc/31/34/23/347313423.db2.gz FLKQEIJIGMIVJU-KBPBESRZSA-N 1 0 249.398 3.571 10 0 BHAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000019904854 347313366 /nfs/dbraw/zinc/31/33/66/347313366.db2.gz FLKQEIJIGMIVJU-UONOGXRCSA-N 1 0 249.398 3.571 10 0 BHAERO COc1ccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)cc1 ZINC000019908938 188174227 /nfs/dbraw/zinc/17/42/27/188174227.db2.gz FQNQLCHROUKVGU-OCZCAGDBSA-N 1 0 247.382 3.610 10 0 BHAERO Oc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000019909920 183271049 /nfs/dbraw/zinc/27/10/49/183271049.db2.gz QMFLARDVYYTMMG-UHFFFAOYSA-N 1 0 233.355 3.595 10 0 BHAERO CCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019915989 169261648 /nfs/dbraw/zinc/26/16/48/169261648.db2.gz IIUIKNBYTHKQJO-UHFFFAOYSA-N 1 0 232.154 3.536 10 0 BHAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1 ZINC000019917839 168164536 /nfs/dbraw/zinc/16/45/36/168164536.db2.gz UWIKSHNCVAJWFS-LXVYMNJGSA-N 1 0 233.355 3.622 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1 ZINC000019917841 168165272 /nfs/dbraw/zinc/16/52/72/168165272.db2.gz UWIKSHNCVAJWFS-MBHSVXNSSA-N 1 0 233.355 3.622 10 0 BHAERO COc1ccccc1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000019917843 175344257 /nfs/dbraw/zinc/34/42/57/175344257.db2.gz LNZHUWCIFDERNX-ROKHWSDSSA-N 1 0 247.382 3.925 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000019917845 175350551 /nfs/dbraw/zinc/35/05/51/175350551.db2.gz LNZHUWCIFDERNX-MOKVOYLWSA-N 1 0 247.382 3.925 10 0 BHAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccs1 ZINC000019917875 168164165 /nfs/dbraw/zinc/16/41/65/168164165.db2.gz WNPJAKUCGUEQMS-CXQJBGSLSA-N 1 0 223.385 3.977 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccs1 ZINC000019917877 168165657 /nfs/dbraw/zinc/16/56/57/168165657.db2.gz WNPJAKUCGUEQMS-MOENNCHZSA-N 1 0 223.385 3.977 10 0 BHAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccco1 ZINC000019917889 168164672 /nfs/dbraw/zinc/16/46/72/168164672.db2.gz GQANLBSHIJVPCW-CXQJBGSLSA-N 1 0 207.317 3.509 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccco1 ZINC000019917891 168165949 /nfs/dbraw/zinc/16/59/49/168165949.db2.gz GQANLBSHIJVPCW-MOENNCHZSA-N 1 0 207.317 3.509 10 0 BHAERO CC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000019917901 168163591 /nfs/dbraw/zinc/16/35/91/168163591.db2.gz CVQHZCNTRYKSSN-LDZOIKDWSA-N 1 0 229.367 3.842 10 0 BHAERO CC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000019917903 168165485 /nfs/dbraw/zinc/16/54/85/168165485.db2.gz CVQHZCNTRYKSSN-PXCJXSSVSA-N 1 0 229.367 3.842 10 0 BHAERO CC1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000019918031 168164979 /nfs/dbraw/zinc/16/49/79/168164979.db2.gz ZVMOIVFFLBHTCP-SSDMNJCBSA-N 1 0 245.366 3.679 10 0 BHAERO CC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000019918033 168165261 /nfs/dbraw/zinc/16/52/61/168165261.db2.gz ZVMOIVFFLBHTCP-PIMMBPRGSA-N 1 0 245.366 3.679 10 0 BHAERO Fc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000019943759 342963961 /nfs/dbraw/zinc/96/39/61/342963961.db2.gz IFDBOTITTSBLLK-INIZCTEOSA-N 1 0 241.309 3.603 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(O)cc1 ZINC000019945233 176894887 /nfs/dbraw/zinc/89/48/87/176894887.db2.gz VUCLMFWKIFNNDL-TYNCELHUSA-N 1 0 233.355 3.622 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(O)cc1 ZINC000019945236 176894572 /nfs/dbraw/zinc/89/45/72/176894572.db2.gz VUCLMFWKIFNNDL-SLEUVZQESA-N 1 0 233.355 3.622 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019945429 176081706 /nfs/dbraw/zinc/08/17/06/176081706.db2.gz GOMUVZFZHXDQKE-UHOFOFEASA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019945432 177083277 /nfs/dbraw/zinc/08/32/77/177083277.db2.gz GOMUVZFZHXDQKE-VBNZEHGJSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019945435 176089469 /nfs/dbraw/zinc/08/94/69/176089469.db2.gz GOMUVZFZHXDQKE-DAXOMENPSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019945438 177089235 /nfs/dbraw/zinc/08/92/35/177089235.db2.gz GOMUVZFZHXDQKE-APHBMKBZSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000019945888 176081551 /nfs/dbraw/zinc/08/15/51/176081551.db2.gz NDZAPTLATOJNJI-VHDGCEQUSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000019945891 177083278 /nfs/dbraw/zinc/08/32/78/177083278.db2.gz NDZAPTLATOJNJI-AEGPPILISA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000019945894 176089163 /nfs/dbraw/zinc/08/91/63/176089163.db2.gz NDZAPTLATOJNJI-BPLDGKMQSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000019945897 177089527 /nfs/dbraw/zinc/08/95/27/177089527.db2.gz NDZAPTLATOJNJI-NWANDNLSSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1cccs1 ZINC000019948586 177113812 /nfs/dbraw/zinc/11/38/12/177113812.db2.gz OQIHOXNPEAJAAS-ONXXMXGDSA-N 1 0 237.412 3.705 10 0 BHAERO Fc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000019950064 181013589 /nfs/dbraw/zinc/01/35/89/181013589.db2.gz MUFLROIHDKLSKM-INIZCTEOSA-N 1 0 241.309 3.603 10 0 BHAERO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000019957234 350915553 /nfs/dbraw/zinc/91/55/53/350915553.db2.gz HGQPUWMDHDPYEH-LLVKDONJSA-N 1 0 246.741 3.586 10 0 BHAERO C[C@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000019957238 385659711 /nfs/dbraw/zinc/65/97/11/385659711.db2.gz HGQPUWMDHDPYEH-NSHDSACASA-N 1 0 246.741 3.586 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccn2)c(C)c1 ZINC000019957648 398315514 /nfs/dbraw/zinc/31/55/14/398315514.db2.gz VWIPCCSXQZHMTJ-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccn2)c(C)c1 ZINC000019957652 398315381 /nfs/dbraw/zinc/31/53/81/398315381.db2.gz VWIPCCSXQZHMTJ-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO C[C@H]([NH2+]Cc1ccccn1)c1cccc(Cl)c1 ZINC000019957888 387065038 /nfs/dbraw/zinc/06/50/38/387065038.db2.gz XINBJFIWWHCAIO-NSHDSACASA-N 1 0 246.741 3.586 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1C ZINC000019957963 178844126 /nfs/dbraw/zinc/84/41/26/178844126.db2.gz LPBNTCUUAGQHHN-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1C ZINC000019957967 538929765 /nfs/dbraw/zinc/92/97/65/538929765.db2.gz LPBNTCUUAGQHHN-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CCOCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000019963004 170381456 /nfs/dbraw/zinc/38/14/56/170381456.db2.gz YWIHRSGRAAOHNL-HNNXBMFYSA-N 1 0 249.398 3.689 10 0 BHAERO CCOCCC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000019963005 170382014 /nfs/dbraw/zinc/38/20/14/170382014.db2.gz YWIHRSGRAAOHNL-OAHLLOKOSA-N 1 0 249.398 3.689 10 0 BHAERO C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCC[C@@H]1C ZINC000019963194 177123201 /nfs/dbraw/zinc/12/32/01/177123201.db2.gz IMQYZTKHBZYESV-DMDPSCGWSA-N 1 0 223.385 3.662 10 0 BHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000019963196 177136925 /nfs/dbraw/zinc/13/69/25/177136925.db2.gz IMQYZTKHBZYESV-LOWVWBTDSA-N 1 0 223.385 3.662 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(O)cc1 ZINC000019963225 176896441 /nfs/dbraw/zinc/89/64/41/176896441.db2.gz ZNGAVTJEOIQHBM-NFFDBFGFSA-N 1 0 247.382 3.868 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000019968068 170869762 /nfs/dbraw/zinc/86/97/62/170869762.db2.gz XVHZIDVQNXXXIB-OAHLLOKOSA-N 1 0 211.308 3.763 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000019968118 170869585 /nfs/dbraw/zinc/86/95/85/170869585.db2.gz WHSQWQZVVBTEAG-OAHLLOKOSA-N 1 0 227.307 3.889 10 0 BHAERO CC[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000019968119 171490451 /nfs/dbraw/zinc/49/04/51/171490451.db2.gz WHSQWQZVVBTEAG-HNNXBMFYSA-N 1 0 227.307 3.889 10 0 BHAERO CC[C@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968295 171490996 /nfs/dbraw/zinc/49/09/96/171490996.db2.gz IDNPTRNDLPTLIU-ZDUSSCGKSA-N 1 0 224.307 3.731 10 0 BHAERO [NH3+][C@@H](c1ccc2[nH]c3ccccc3c2c1)C1CC1 ZINC000019968303 181562207 /nfs/dbraw/zinc/56/22/07/181562207.db2.gz QTAYMDYWQZUXLF-MRXNPFEDSA-N 1 0 236.318 3.731 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)c(F)c2)c1C ZINC000019968394 179186012 /nfs/dbraw/zinc/18/60/12/179186012.db2.gz RBFHSCRDEVZGOF-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(F)c(F)c2)c1C ZINC000019968395 179200305 /nfs/dbraw/zinc/20/03/05/179200305.db2.gz RBFHSCRDEVZGOF-OAHLLOKOSA-N 1 0 247.288 3.630 10 0 BHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)C1CCCCC1 ZINC000019968425 181563387 /nfs/dbraw/zinc/56/33/87/181563387.db2.gz UYCGTNXGKHOKEZ-CYBMUJFWSA-N 1 0 225.282 3.545 10 0 BHAERO [NH3+][C@H](CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000019968431 181616267 /nfs/dbraw/zinc/61/62/67/181616267.db2.gz WHXHJSBPZLMDGW-OAHLLOKOSA-N 1 0 247.288 3.597 10 0 BHAERO [NH3+][C@@H](CCC1CCCC1)c1ccc(F)c(F)c1 ZINC000019968434 181542796 /nfs/dbraw/zinc/54/27/96/181542796.db2.gz KJEBASDHNWETBG-AWEZNQCLSA-N 1 0 239.309 3.935 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968472 179290202 /nfs/dbraw/zinc/29/02/02/179290202.db2.gz AECYOEOZPYLSNE-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968473 179292403 /nfs/dbraw/zinc/29/24/03/179292403.db2.gz AECYOEOZPYLSNE-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO CCc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000019968555 171834054 /nfs/dbraw/zinc/83/40/54/171834054.db2.gz STLMJHZNYVLRFG-MRXNPFEDSA-N 1 0 225.335 3.606 10 0 BHAERO CCc1ccc([C@@H]([NH3+])c2cc(F)cc(F)c2)cc1 ZINC000019968593 171834683 /nfs/dbraw/zinc/83/46/83/171834683.db2.gz IAQSCWIRFWFMCI-OAHLLOKOSA-N 1 0 247.288 3.575 10 0 BHAERO Cc1cc(C)c([C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000019968636 177871541 /nfs/dbraw/zinc/87/15/41/177871541.db2.gz NZFACDUVYSJNLQ-INIZCTEOSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000019968662 179186720 /nfs/dbraw/zinc/18/67/20/179186720.db2.gz KPXOXMFCKJRJJJ-QGZVFWFLSA-N 1 0 239.362 3.968 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000019968663 179200658 /nfs/dbraw/zinc/20/06/58/179200658.db2.gz KPXOXMFCKJRJJJ-KRWDZBQOSA-N 1 0 239.362 3.968 10 0 BHAERO Cc1cc(C)c([C@H]([NH3+])CC(C)C)c(C)c1 ZINC000019968676 177875209 /nfs/dbraw/zinc/87/52/09/177875209.db2.gz SIEIFJGTVKFWGM-CYBMUJFWSA-N 1 0 205.345 3.658 10 0 BHAERO Cc1cc(C)c([C@@H]([NH3+])CC(C)C)c(C)c1 ZINC000019968677 177871370 /nfs/dbraw/zinc/87/13/70/177871370.db2.gz SIEIFJGTVKFWGM-ZDUSSCGKSA-N 1 0 205.345 3.658 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000019968683 171371945 /nfs/dbraw/zinc/37/19/45/171371945.db2.gz ZCXAETJEHYQTQF-IINYFYTJSA-N 1 0 205.345 3.658 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000019968685 171396981 /nfs/dbraw/zinc/39/69/81/171396981.db2.gz ZCXAETJEHYQTQF-HZMBPMFUSA-N 1 0 205.345 3.658 10 0 BHAERO CCCC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000019968705 169009180 /nfs/dbraw/zinc/00/91/80/169009180.db2.gz XASDTGXPIFLGOH-ZDUSSCGKSA-N 1 0 205.345 3.802 10 0 BHAERO Cc1cc(C)c(C)c([C@@H]([NH3+])C(C)C)c1C ZINC000019968723 177853823 /nfs/dbraw/zinc/85/38/23/177853823.db2.gz GNIILMKQRRKNQV-AWEZNQCLSA-N 1 0 205.345 3.576 10 0 BHAERO CCC[C@@H]([NH3+])c1c(C)c(C)cc(C)c1C ZINC000019968744 169393143 /nfs/dbraw/zinc/39/31/43/169393143.db2.gz ZGCABLMWNMUXGR-CYBMUJFWSA-N 1 0 205.345 3.720 10 0 BHAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000019968768 181632181 /nfs/dbraw/zinc/63/21/81/181632181.db2.gz QCRHNPDAGIZQGD-NSHDSACASA-N 1 0 229.245 3.505 10 0 BHAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000019968769 181565246 /nfs/dbraw/zinc/56/52/46/181565246.db2.gz QCRHNPDAGIZQGD-LLVKDONJSA-N 1 0 229.245 3.505 10 0 BHAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000019968770 342965347 /nfs/dbraw/zinc/96/53/47/342965347.db2.gz OXRDRCOYBZJEEH-LBPRGKRZSA-N 1 0 243.272 3.895 10 0 BHAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000019968771 342965201 /nfs/dbraw/zinc/96/52/01/342965201.db2.gz OXRDRCOYBZJEEH-GFCCVEGCSA-N 1 0 243.272 3.895 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968828 170778805 /nfs/dbraw/zinc/77/88/05/170778805.db2.gz GGYHNCSPMSJACW-LDYMZIIASA-N 1 0 231.261 3.751 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968829 171372040 /nfs/dbraw/zinc/37/20/40/171372040.db2.gz GGYHNCSPMSJACW-GZMMTYOYSA-N 1 0 231.261 3.751 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968831 171396196 /nfs/dbraw/zinc/39/61/96/171396196.db2.gz GGYHNCSPMSJACW-KWQFWETISA-N 1 0 231.261 3.751 10 0 BHAERO CCCC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968853 169008447 /nfs/dbraw/zinc/00/84/47/169008447.db2.gz YLVCXGWZJLBECU-NSHDSACASA-N 1 0 231.261 3.895 10 0 BHAERO [NH3+][C@H](CC1CCCC1)c1ccc(F)cc1F ZINC000019968909 181613714 /nfs/dbraw/zinc/61/37/14/181613714.db2.gz NQGHLFXXSRKVQQ-CYBMUJFWSA-N 1 0 225.282 3.545 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2F)c1C ZINC000019968934 179187350 /nfs/dbraw/zinc/18/73/50/179187350.db2.gz YNNSINWPEGLSIG-OAHLLOKOSA-N 1 0 247.288 3.630 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2F)c1C ZINC000019968935 179201231 /nfs/dbraw/zinc/20/12/31/179201231.db2.gz YNNSINWPEGLSIG-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO [NH3+][C@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000019968964 181631509 /nfs/dbraw/zinc/63/15/09/181631509.db2.gz JETRKXQGKGCTBC-ZDUSSCGKSA-N 1 0 225.282 3.545 10 0 BHAERO [NH3+][C@H](CCC1CCCC1)c1ccc(F)cc1F ZINC000019968975 181615318 /nfs/dbraw/zinc/61/53/18/181615318.db2.gz OYCYBPMGZDUNMM-CQSZACIVSA-N 1 0 239.309 3.935 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1ccc(F)cc1F ZINC000019969010 179291736 /nfs/dbraw/zinc/29/17/36/179291736.db2.gz IRPVFMRURGWAHY-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cc(F)ccc2F)c1C ZINC000019969439 179186887 /nfs/dbraw/zinc/18/68/87/179186887.db2.gz IWWHHNFHOPQLMP-OAHLLOKOSA-N 1 0 247.288 3.630 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cc(F)ccc2F)c1C ZINC000019969440 179200289 /nfs/dbraw/zinc/20/02/89/179200289.db2.gz IWWHHNFHOPQLMP-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969522 179291934 /nfs/dbraw/zinc/29/19/34/179291934.db2.gz FTQLGBHQVLGOKG-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2C)s1 ZINC000019969896 178908191 /nfs/dbraw/zinc/90/81/91/178908191.db2.gz KWOHJUNMCQAPDX-CYBMUJFWSA-N 1 0 231.364 3.607 10 0 BHAERO CCc1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1 ZINC000019969915 171834831 /nfs/dbraw/zinc/83/48/31/171834831.db2.gz SEXCCFPQHJQNOQ-CQSZACIVSA-N 1 0 231.364 3.667 10 0 BHAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019969931 517763347 /nfs/dbraw/zinc/76/33/47/517763347.db2.gz TVQIHPDLMNIAON-BAESOJJISA-N 1 0 217.356 3.856 10 0 BHAERO CC[C@H](C)c1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019969932 171411825 /nfs/dbraw/zinc/41/18/25/171411825.db2.gz TVQIHPDLMNIAON-UOVKNHIHSA-N 1 0 217.356 3.856 10 0 BHAERO CC[C@H](C)c1ccc([C@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019969934 171411525 /nfs/dbraw/zinc/41/15/25/171411525.db2.gz TVQIHPDLMNIAON-AZHAFVHUSA-N 1 0 217.356 3.856 10 0 BHAERO CC(C)(C)c1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000019969982 188462997 /nfs/dbraw/zinc/46/29/97/188462997.db2.gz XIPISRXEASKKGW-LLVKDONJSA-N 1 0 245.288 3.936 10 0 BHAERO CCCc1ccc([C@@H]([NH3+])C(C)(C)C)cc1 ZINC000019970023 169573490 /nfs/dbraw/zinc/57/34/90/169573490.db2.gz GQWVUFMKSSDMOW-CYBMUJFWSA-N 1 0 205.345 3.685 10 0 BHAERO CCCc1ccc([C@H]([NH3+])C(C)(C)C)cc1 ZINC000019970024 169575632 /nfs/dbraw/zinc/57/56/32/169575632.db2.gz GQWVUFMKSSDMOW-ZDUSSCGKSA-N 1 0 205.345 3.685 10 0 BHAERO CCCc1ccc([C@H]([NH3+])CC(C)C)cc1 ZINC000019970052 169575019 /nfs/dbraw/zinc/57/50/19/169575019.db2.gz MXZNBSQPVIVGAO-CQSZACIVSA-N 1 0 205.345 3.685 10 0 BHAERO CCCc1ccc([C@@H]([NH3+])[C@@H](C)CC)cc1 ZINC000019970061 169573680 /nfs/dbraw/zinc/57/36/80/169573680.db2.gz JMXHBUZTVZDUMW-FZMZJTMJSA-N 1 0 205.345 3.685 10 0 BHAERO CCCc1ccc([C@@H]([NH3+])[C@H](C)CC)cc1 ZINC000019970063 169573547 /nfs/dbraw/zinc/57/35/47/169573547.db2.gz JMXHBUZTVZDUMW-RISCZKNCSA-N 1 0 205.345 3.685 10 0 BHAERO CC(C)c1ccc([C@@H](C)[NH3+])c(C(C)C)c1 ZINC000019970233 167610273 /nfs/dbraw/zinc/61/02/73/167610273.db2.gz ZVEYLAVUTGAESD-LLVKDONJSA-N 1 0 205.345 3.953 10 0 BHAERO CC(C)Cc1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019970355 187315376 /nfs/dbraw/zinc/31/53/76/187315376.db2.gz DINPNQZGCWICCQ-NILFDRSVSA-N 1 0 217.356 3.541 10 0 BHAERO CC(C)Cc1ccc([C@@H]([NH3+])[C@H]2C[C@@H]2C)cc1 ZINC000019970357 188004001 /nfs/dbraw/zinc/00/40/01/188004001.db2.gz DINPNQZGCWICCQ-TUKIKUTGSA-N 1 0 217.356 3.541 10 0 BHAERO CC(C)Cc1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000019970364 188282078 /nfs/dbraw/zinc/28/20/78/188282078.db2.gz MEEWHJGSDNVWPJ-OAHLLOKOSA-N 1 0 217.356 3.685 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000019970379 169394154 /nfs/dbraw/zinc/39/41/54/169394154.db2.gz WYENWMTVXPNBIN-CQSZACIVSA-N 1 0 205.345 3.685 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019970497 169021854 /nfs/dbraw/zinc/02/18/54/169021854.db2.gz CIDBRSMVQRCTKQ-NILFDRSVSA-N 1 0 217.356 3.685 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019970498 169023666 /nfs/dbraw/zinc/02/36/66/169023666.db2.gz CIDBRSMVQRCTKQ-GLQYFDAESA-N 1 0 217.356 3.685 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])[C@H]2C[C@@H]2C)cc1 ZINC000019970499 169022436 /nfs/dbraw/zinc/02/24/36/169022436.db2.gz CIDBRSMVQRCTKQ-TUKIKUTGSA-N 1 0 217.356 3.685 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])[C@H]2C[C@@H]2C)cc1 ZINC000019970500 169023108 /nfs/dbraw/zinc/02/31/08/169023108.db2.gz CIDBRSMVQRCTKQ-CQDKDKBSSA-N 1 0 217.356 3.685 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1 ZINC000019970501 169022334 /nfs/dbraw/zinc/02/23/34/169022334.db2.gz NXHUDYKABQSZBE-LBPRGKRZSA-N 1 0 245.288 3.981 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000019970502 169023191 /nfs/dbraw/zinc/02/31/91/169023191.db2.gz NXHUDYKABQSZBE-GFCCVEGCSA-N 1 0 245.288 3.981 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000019970505 169021971 /nfs/dbraw/zinc/02/19/71/169021971.db2.gz WQIVMELMIMYCNA-HNNXBMFYSA-N 1 0 217.356 3.829 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000019970506 169023651 /nfs/dbraw/zinc/02/36/51/169023651.db2.gz WQIVMELMIMYCNA-OAHLLOKOSA-N 1 0 217.356 3.829 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000019970537 166695514 /nfs/dbraw/zinc/69/55/14/166695514.db2.gz YZUXUXONEZGXMQ-AWEZNQCLSA-N 1 0 217.356 3.611 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000019970557 188282243 /nfs/dbraw/zinc/28/22/43/188282243.db2.gz ZPKQUMUFSSJFOM-OAHLLOKOSA-N 1 0 217.356 3.611 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000019970570 171372719 /nfs/dbraw/zinc/37/27/19/171372719.db2.gz VNUALOVTQNRWCP-XHDPSFHLSA-N 1 0 217.356 3.611 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000019970572 171396717 /nfs/dbraw/zinc/39/67/17/171396717.db2.gz VNUALOVTQNRWCP-NHYWBVRUSA-N 1 0 217.356 3.611 10 0 BHAERO CCc1ccc([C@H]([NH3+])CC2CCCC2)s1 ZINC000019970638 171843090 /nfs/dbraw/zinc/84/30/90/171843090.db2.gz PVIZRNBXLZHOKJ-GFCCVEGCSA-N 1 0 223.385 3.891 10 0 BHAERO CCc1ccc([C@H]([NH3+])CCc2ccccc2)s1 ZINC000019970708 171842991 /nfs/dbraw/zinc/84/29/91/171842991.db2.gz RTSWAGCFCSMSRK-CQSZACIVSA-N 1 0 245.391 3.943 10 0 BHAERO CCc1ccc([C@@H]([NH3+])CC(C)(C)C)s1 ZINC000019970711 171834478 /nfs/dbraw/zinc/83/44/78/171834478.db2.gz RICCCMKEQPRMFA-JTQLQIEISA-N 1 0 211.374 3.747 10 0 BHAERO CCc1ccc([C@H]([NH3+])Cc2cccc(F)c2)s1 ZINC000019970740 171842446 /nfs/dbraw/zinc/84/24/46/171842446.db2.gz VOURUVNXDYQXIO-CYBMUJFWSA-N 1 0 249.354 3.692 10 0 BHAERO [NH3+][C@@H](CCC1CCCC1)c1ccc2c(c1)CCO2 ZINC000019971073 181542698 /nfs/dbraw/zinc/54/26/98/181542698.db2.gz UONATJVWYWKHCE-HNNXBMFYSA-N 1 0 245.366 3.592 10 0 BHAERO Cc1ccc([C@@H]([NH3+])c2ccc(C)c(C)c2)c(C)c1 ZINC000019971323 178861501 /nfs/dbraw/zinc/86/15/01/178861501.db2.gz CJFUNIMTKGLIKO-KRWDZBQOSA-N 1 0 239.362 3.968 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2F)c(C)c1 ZINC000019971359 178908635 /nfs/dbraw/zinc/90/86/35/178908635.db2.gz DYDVDJXOUDTXTG-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1ccc([C@H]([NH3+])c2cccc(C)c2)c(C)c1 ZINC000019971372 179187249 /nfs/dbraw/zinc/18/72/49/179187249.db2.gz RHXWPFKJVHQLTA-MRXNPFEDSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1ccc([C@@H]([NH3+])c2cccc(C)c2)c(C)c1 ZINC000019971373 179199774 /nfs/dbraw/zinc/19/97/74/179199774.db2.gz RHXWPFKJVHQLTA-INIZCTEOSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)c(C)c1 ZINC000019971389 178907808 /nfs/dbraw/zinc/90/78/08/178907808.db2.gz UGJWVWICLCTWBV-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1ccc([C@H]([NH3+])CCc2ccccc2)c(C)c1 ZINC000019971401 178906805 /nfs/dbraw/zinc/90/68/05/178906805.db2.gz SEUIJPJKEATZSX-QGZVFWFLSA-N 1 0 239.362 3.936 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2C)c(C)c1 ZINC000019971433 178908921 /nfs/dbraw/zinc/90/89/21/178908921.db2.gz YNJPMHVSVJTZFD-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1ccc(C)c([C@@H]([NH3+])Cc2ccccc2)c1 ZINC000019971464 178497012 /nfs/dbraw/zinc/49/70/12/178497012.db2.gz BIYHVMIFVJNBPF-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1ccc(C)c([C@H]([NH3+])Cc2ccccc2)c1 ZINC000019971465 178502419 /nfs/dbraw/zinc/50/24/19/178502419.db2.gz BIYHVMIFVJNBPF-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO CCC(CC)[C@@H]([NH3+])c1cc(C)ccc1C ZINC000019971474 168401003 /nfs/dbraw/zinc/40/10/03/168401003.db2.gz PFQXXVPIGRXXGC-CQSZACIVSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1ccc([C@@H]([NH3+])c2cc(C)ccc2C)c(C)c1 ZINC000019971510 178861460 /nfs/dbraw/zinc/86/14/60/178861460.db2.gz NMPBMRRBRKCOGQ-QGZVFWFLSA-N 1 0 239.362 3.968 10 0 BHAERO Cc1ccc(C)c([C@H]([NH3+])Cc2ccccc2F)c1 ZINC000019971513 178501922 /nfs/dbraw/zinc/50/19/22/178501922.db2.gz QBAXJGJOKYLBSI-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000019971528 179186376 /nfs/dbraw/zinc/18/63/76/179186376.db2.gz FQGCCYDLBWMNFY-MRXNPFEDSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000019971529 179200616 /nfs/dbraw/zinc/20/06/16/179200616.db2.gz FQGCCYDLBWMNFY-INIZCTEOSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1ccc(C)c([C@H]([NH3+])C2CCCCC2)c1 ZINC000019971553 178500549 /nfs/dbraw/zinc/50/05/49/178500549.db2.gz HEQGTQLSKJIVHH-OAHLLOKOSA-N 1 0 217.356 3.884 10 0 BHAERO Cc1ccc(C)c([C@@H]([NH3+])CC(C)(C)C)c1 ZINC000019971558 178496489 /nfs/dbraw/zinc/49/64/89/178496489.db2.gz LMXFRIWHQPWBLS-ZDUSSCGKSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1ccc(C)c([C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000019971569 178502453 /nfs/dbraw/zinc/50/24/53/178502453.db2.gz AWSBORRMYGLYFK-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO CCc1ccc([C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000019971603 171834450 /nfs/dbraw/zinc/83/44/50/171834450.db2.gz DHTXKPZJKCSGAV-QGZVFWFLSA-N 1 0 239.362 3.914 10 0 BHAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)c(C)c1 ZINC000019972047 175179384 /nfs/dbraw/zinc/17/93/84/175179384.db2.gz SQPIUOQWLDKSLQ-HNNXBMFYSA-N 1 0 233.355 3.584 10 0 BHAERO COc1ccc([C@H]([NH3+])CC2CCCC2)c(C)c1 ZINC000019972048 175192282 /nfs/dbraw/zinc/19/22/82/175192282.db2.gz SQPIUOQWLDKSLQ-OAHLLOKOSA-N 1 0 233.355 3.584 10 0 BHAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)c(C)c1 ZINC000019972113 175179346 /nfs/dbraw/zinc/17/93/46/175179346.db2.gz XZDPVYDJODMKLX-HNNXBMFYSA-N 1 0 233.355 3.584 10 0 BHAERO COc1ccc([C@H]([NH3+])C2CCCCC2)c(C)c1 ZINC000019972114 175190733 /nfs/dbraw/zinc/19/07/33/175190733.db2.gz XZDPVYDJODMKLX-OAHLLOKOSA-N 1 0 233.355 3.584 10 0 BHAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)c(C)c1 ZINC000019972121 175179519 /nfs/dbraw/zinc/17/95/19/175179519.db2.gz DLORKSOSSWIRLQ-INIZCTEOSA-N 1 0 247.382 3.974 10 0 BHAERO COc1ccc([C@H]([NH3+])CCC2CCCC2)c(C)c1 ZINC000019972122 175191799 /nfs/dbraw/zinc/19/17/99/175191799.db2.gz DLORKSOSSWIRLQ-MRXNPFEDSA-N 1 0 247.382 3.974 10 0 BHAERO CCC(CC)C[NH2+]Cc1ccc(Cl)cc1 ZINC000019980052 168361516 /nfs/dbraw/zinc/36/15/16/168361516.db2.gz LOMIIMOYURQPJC-UHFFFAOYSA-N 1 0 225.763 3.866 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000019982729 259386728 /nfs/dbraw/zinc/38/67/28/259386728.db2.gz HIPXLCIKJFQMPZ-XNRPHZJLSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000019982737 259386738 /nfs/dbraw/zinc/38/67/38/259386738.db2.gz HIPXLCIKJFQMPZ-IVMMDQJWSA-N 1 0 229.367 3.842 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000019983159 171364984 /nfs/dbraw/zinc/36/49/84/171364984.db2.gz HFSCCLIPBYCWKX-LSDHHAIUSA-N 1 0 248.414 3.537 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000019983167 171388708 /nfs/dbraw/zinc/38/87/08/171388708.db2.gz HFSCCLIPBYCWKX-GJZGRUSLSA-N 1 0 248.414 3.537 10 0 BHAERO Cc1cccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000019984418 179089596 /nfs/dbraw/zinc/08/95/96/179089596.db2.gz LPIIEBOVNVUFAT-ZIAGYGMSSA-N 1 0 231.383 3.909 10 0 BHAERO Cc1cccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)c1 ZINC000019984422 179089869 /nfs/dbraw/zinc/08/98/69/179089869.db2.gz LPIIEBOVNVUFAT-MZBDJJRSSA-N 1 0 231.383 3.909 10 0 BHAERO Cc1cccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000019984429 179091040 /nfs/dbraw/zinc/09/10/40/179091040.db2.gz LPIIEBOVNVUFAT-KBPBESRZSA-N 1 0 231.383 3.909 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000019987983 347385382 /nfs/dbraw/zinc/38/53/82/347385382.db2.gz IADVEEHXNCLONH-RWMBFGLXSA-N 1 0 211.393 3.979 10 0 BHAERO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019987990 259386862 /nfs/dbraw/zinc/38/68/62/259386862.db2.gz IADVEEHXNCLONH-AVGNSLFASA-N 1 0 211.393 3.979 10 0 BHAERO Cc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cc1 ZINC000019990998 178602860 /nfs/dbraw/zinc/60/28/60/178602860.db2.gz DDPMFOOBWDMGIG-ZIAGYGMSSA-N 1 0 231.383 3.909 10 0 BHAERO C=COCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000019992218 187253277 /nfs/dbraw/zinc/25/32/77/187253277.db2.gz QZPBUQNVDQIETA-UHFFFAOYSA-N 1 0 239.403 3.731 10 0 BHAERO CCc1ccc([C@@H]([NH3+])CO[C@@H](C)CC(C)C)cc1 ZINC000019993823 171834038 /nfs/dbraw/zinc/83/40/38/171834038.db2.gz LYWZBOSVYMANNH-BBRMVZONSA-N 1 0 249.398 3.700 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000019998118 259387207 /nfs/dbraw/zinc/38/72/07/259387207.db2.gz SVHGPNWEEZVRAV-IGQOVBAYSA-N 1 0 211.393 3.835 10 0 BHAERO CCC(CC)[C@H](C[NH3+])N(CC)c1ccccc1C ZINC000020000414 168406432 /nfs/dbraw/zinc/40/64/32/168406432.db2.gz CPLNQRQOEFAWEF-INIZCTEOSA-N 1 0 248.414 3.585 10 0 BHAERO CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000020002655 170592558 /nfs/dbraw/zinc/59/25/58/170592558.db2.gz CBYWOOYTANRLBD-ZFWWWQNUSA-N 1 0 247.382 3.754 10 0 BHAERO CCC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020002843 169360046 /nfs/dbraw/zinc/36/00/46/169360046.db2.gz AJDYXDTURZJIFN-LLVKDONJSA-N 1 0 225.763 3.866 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000020003587 259387144 /nfs/dbraw/zinc/38/71/44/259387144.db2.gz SDSUMBZMTHOSSB-IUODEOHRSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000020003590 259387134 /nfs/dbraw/zinc/38/71/34/259387134.db2.gz SDSUMBZMTHOSSB-SWLSCSKDSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020003593 259387149 /nfs/dbraw/zinc/38/71/49/259387149.db2.gz SDSUMBZMTHOSSB-DOMZBBRYSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020003596 259387135 /nfs/dbraw/zinc/38/71/35/259387135.db2.gz SDSUMBZMTHOSSB-WFASDCNBSA-N 1 0 217.356 3.698 10 0 BHAERO Cc1ccc(C(C)C)c(OC[C@@H]([NH3+])C(C)(C)C)c1 ZINC000020004999 178452156 /nfs/dbraw/zinc/45/21/56/178452156.db2.gz CKJGKSFSGAVBTP-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000020007620 177083694 /nfs/dbraw/zinc/08/36/94/177083694.db2.gz JSBSAEBRPPZXJX-FPMFFAJLSA-N 1 0 233.355 3.825 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000020007625 177089857 /nfs/dbraw/zinc/08/98/57/177089857.db2.gz JSBSAEBRPPZXJX-IACUBPJLSA-N 1 0 233.355 3.825 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(C)(C)C1 ZINC000020009651 176377957 /nfs/dbraw/zinc/37/79/57/176377957.db2.gz MAELZNVPZLQWRJ-UKRRQHHQSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(C)(C)C1 ZINC000020009654 177331750 /nfs/dbraw/zinc/33/17/50/177331750.db2.gz MAELZNVPZLQWRJ-DZGCQCFKSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC(C)(C)C1 ZINC000020009659 177370974 /nfs/dbraw/zinc/37/09/74/177370974.db2.gz MAELZNVPZLQWRJ-ZFWWWQNUSA-N 1 0 231.383 3.991 10 0 BHAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000020013239 187253224 /nfs/dbraw/zinc/25/32/24/187253224.db2.gz BSVKWZKFGCCABB-ZDUSSCGKSA-N 1 0 231.383 3.946 10 0 BHAERO CCC[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000020014780 169359683 /nfs/dbraw/zinc/35/96/83/169359683.db2.gz SDYCSMZXNQMBGR-LLVKDONJSA-N 1 0 225.763 3.866 10 0 BHAERO [NH3+][C@H](CC1CCCCC1)c1ccc(F)cc1F ZINC000020017927 181613624 /nfs/dbraw/zinc/61/36/24/181613624.db2.gz CUEPEPRDCILGCL-CQSZACIVSA-N 1 0 239.309 3.935 10 0 BHAERO CCc1ccc(O[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020020764 187253297 /nfs/dbraw/zinc/25/32/97/187253297.db2.gz VQNBEZFRVRDMAM-HOTGVXAUSA-N 1 0 247.382 3.678 10 0 BHAERO CCc1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000020020769 187253464 /nfs/dbraw/zinc/25/34/64/187253464.db2.gz VQNBEZFRVRDMAM-CVEARBPZSA-N 1 0 247.382 3.678 10 0 BHAERO c1csc(CC[NH2+]CCCc2ccccc2)c1 ZINC000020052963 183391687 /nfs/dbraw/zinc/39/16/87/183391687.db2.gz BEQVLSPRVQDKSP-UHFFFAOYSA-N 1 0 245.391 3.513 10 0 BHAERO CCC[NH+](CCC)Cc1ccc(Cl)c(N)c1 ZINC000020072266 169149179 /nfs/dbraw/zinc/14/91/79/169149179.db2.gz ZPAGOCHWKWFYOV-UHFFFAOYSA-N 1 0 240.778 3.544 10 0 BHAERO CCCC[N@H+](CC)Cc1ccc(Cl)c(N)c1 ZINC000020073015 168799008 /nfs/dbraw/zinc/79/90/08/168799008.db2.gz XKJCNIZFLFIELE-UHFFFAOYSA-N 1 0 240.778 3.544 10 0 BHAERO CC[N@H+](Cc1ccc(C)c(N)c1)C1CCCCC1 ZINC000020073362 169905419 /nfs/dbraw/zinc/90/54/19/169905419.db2.gz STIVZWZMBIROME-UHFFFAOYSA-N 1 0 246.398 3.732 10 0 BHAERO CCc1ccc(Oc2ccccc2C[NH3+])cc1 ZINC000020076245 171828368 /nfs/dbraw/zinc/82/83/68/171828368.db2.gz QGCFNPRUOFGYNF-UHFFFAOYSA-N 1 0 227.307 3.500 10 0 BHAERO C[C@@H]([NH3+])c1ccc(Sc2cccs2)cc1 ZINC000020078271 175817642 /nfs/dbraw/zinc/81/76/42/175817642.db2.gz JBJQUDJICTYNBI-SECBINFHSA-N 1 0 235.377 3.919 10 0 BHAERO COc1cccc2cc([C@@H](C)[NH2+]C(C)C)oc21 ZINC000020085556 175306312 /nfs/dbraw/zinc/30/63/12/175306312.db2.gz WSJGEBXVORVLCV-SNVBAGLBSA-N 1 0 233.311 3.500 10 0 BHAERO COc1cccc2cc([C@H](C)[NH2+]C(C)C)oc21 ZINC000020085557 175307840 /nfs/dbraw/zinc/30/78/40/175307840.db2.gz WSJGEBXVORVLCV-JTQLQIEISA-N 1 0 233.311 3.500 10 0 BHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1ccncc1 ZINC000020121585 171297048 /nfs/dbraw/zinc/29/70/48/171297048.db2.gz FBVOLSGDVLNGIV-KCQAQPDRSA-N 1 0 234.387 3.947 10 0 BHAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccncc1 ZINC000020121587 170855038 /nfs/dbraw/zinc/85/50/38/170855038.db2.gz FBVOLSGDVLNGIV-IPYPFGDCSA-N 1 0 234.387 3.947 10 0 BHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccncc1 ZINC000020121589 171298965 /nfs/dbraw/zinc/29/89/65/171298965.db2.gz FBVOLSGDVLNGIV-YDHLFZDLSA-N 1 0 234.387 3.947 10 0 BHAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000020121887 351932830 /nfs/dbraw/zinc/93/28/30/351932830.db2.gz AEGXGVOANAQWAH-LLVKDONJSA-N 1 0 246.741 3.586 10 0 BHAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000020121888 385760660 /nfs/dbraw/zinc/76/06/60/385760660.db2.gz AEGXGVOANAQWAH-NSHDSACASA-N 1 0 246.741 3.586 10 0 BHAERO c1ccc2c(c1)OCC[C@H]2[NH2+]C1CCCCCC1 ZINC000020122657 183452605 /nfs/dbraw/zinc/45/26/05/183452605.db2.gz NMWBWBJSWUVYSD-OAHLLOKOSA-N 1 0 245.366 3.823 10 0 BHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000020122658 590076661 /nfs/dbraw/zinc/07/66/61/590076661.db2.gz NMWBWBJSWUVYSD-HNNXBMFYSA-N 1 0 245.366 3.823 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)c1ccccn1 ZINC000020123694 538930775 /nfs/dbraw/zinc/93/07/75/538930775.db2.gz CSJRZYHNNIAEPH-MELADBBJSA-N 1 0 246.398 3.947 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)c1ccccn1 ZINC000020123697 538930672 /nfs/dbraw/zinc/93/06/72/538930672.db2.gz CSJRZYHNNIAEPH-IHRRRGAJSA-N 1 0 246.398 3.947 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000020126205 179339913 /nfs/dbraw/zinc/33/99/13/179339913.db2.gz AXHSXJFCUSWQPK-STQMWFEESA-N 1 0 229.323 4.000 10 0 BHAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1cccnc1 ZINC000020127492 176831304 /nfs/dbraw/zinc/83/13/04/176831304.db2.gz JNTJGAFDUNBXNZ-SXBYAPGRSA-N 1 0 232.371 3.557 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)c1cccnc1 ZINC000020127848 259389127 /nfs/dbraw/zinc/38/91/27/259389127.db2.gz HFBZBGMAECDJAK-KCQAQPDRSA-N 1 0 246.398 3.947 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)c1cccnc1 ZINC000020127850 259389470 /nfs/dbraw/zinc/38/94/70/259389470.db2.gz HFBZBGMAECDJAK-YDHLFZDLSA-N 1 0 246.398 3.947 10 0 BHAERO Fc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020129657 342970617 /nfs/dbraw/zinc/97/06/17/342970617.db2.gz GDVNBOUFLZVVGC-INIZCTEOSA-N 1 0 241.309 3.603 10 0 BHAERO Cc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020129661 179284136 /nfs/dbraw/zinc/28/41/36/179284136.db2.gz WLHUIWOEBGAQGB-KRWDZBQOSA-N 1 0 237.346 3.772 10 0 BHAERO Cc1ccsc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020129689 342970428 /nfs/dbraw/zinc/97/04/28/342970428.db2.gz LTIZFQQZQXPVCM-AWEZNQCLSA-N 1 0 243.375 3.834 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccco1 ZINC000020129790 342971105 /nfs/dbraw/zinc/97/11/05/342971105.db2.gz SCHFMSABGUFSMY-RISCZKNCSA-N 1 0 227.307 3.618 10 0 BHAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccco1 ZINC000020129791 342971101 /nfs/dbraw/zinc/97/11/01/342971101.db2.gz SCHFMSABGUFSMY-FZMZJTMJSA-N 1 0 227.307 3.618 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000020129806 384581864 /nfs/dbraw/zinc/58/18/64/384581864.db2.gz SCJRQWKJJQJTBI-DOMZBBRYSA-N 1 0 241.334 3.926 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000020129807 384582162 /nfs/dbraw/zinc/58/21/62/384582162.db2.gz SCJRQWKJJQJTBI-WFASDCNBSA-N 1 0 241.334 3.926 10 0 BHAERO Cc1cccc(C[NH2+][C@H](C)c2ccc(O)cc2)c1 ZINC000020133985 179099971 /nfs/dbraw/zinc/09/99/71/179099971.db2.gz QOIIRPCOCRVPEU-CYBMUJFWSA-N 1 0 241.334 3.551 10 0 BHAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(O)cc2)c1 ZINC000020133988 179098114 /nfs/dbraw/zinc/09/81/14/179098114.db2.gz QOIIRPCOCRVPEU-ZDUSSCGKSA-N 1 0 241.334 3.551 10 0 BHAERO Cc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020134088 386790642 /nfs/dbraw/zinc/79/06/42/386790642.db2.gz MERYCWODOSEPSG-KRWDZBQOSA-N 1 0 237.346 3.772 10 0 BHAERO CC[C@H]([NH2+]Cc1cccs1)c1ccc(O)cc1 ZINC000020139152 171531025 /nfs/dbraw/zinc/53/10/25/171531025.db2.gz QHYGKAMEYKJGIO-AWEZNQCLSA-N 1 0 247.363 3.695 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2)c(C)c1 ZINC000020140057 384582287 /nfs/dbraw/zinc/58/22/87/384582287.db2.gz WUGKPAUOKXONKE-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2)c(C)c1 ZINC000020140059 384580870 /nfs/dbraw/zinc/58/08/70/384580870.db2.gz WUGKPAUOKXONKE-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1C ZINC000020140251 384580911 /nfs/dbraw/zinc/58/09/11/384580911.db2.gz QJHZBWXVULIZPW-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1C ZINC000020140254 384581885 /nfs/dbraw/zinc/58/18/85/384581885.db2.gz QJHZBWXVULIZPW-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020147906 259389607 /nfs/dbraw/zinc/38/96/07/259389607.db2.gz NNLINEQWQOIHJI-MNOVXSKESA-N 1 0 209.308 3.521 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020147907 259389659 /nfs/dbraw/zinc/38/96/59/259389659.db2.gz NNLINEQWQOIHJI-QWRGUYRKSA-N 1 0 209.308 3.521 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020147908 259396390 /nfs/dbraw/zinc/39/63/90/259396390.db2.gz NNLINEQWQOIHJI-GHMZBOCLSA-N 1 0 209.308 3.521 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020147909 259389812 /nfs/dbraw/zinc/38/98/12/259389812.db2.gz NNLINEQWQOIHJI-WDEREUQCSA-N 1 0 209.308 3.521 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccco1 ZINC000020148302 347412595 /nfs/dbraw/zinc/41/25/95/347412595.db2.gz HDGWUJQCPRVBGE-ZJUUUORDSA-N 1 0 221.325 3.753 10 0 BHAERO C[C@H]([NH2+][C@@H](C)c1cccs1)c1ccco1 ZINC000020148303 385422267 /nfs/dbraw/zinc/42/22/67/385422267.db2.gz HDGWUJQCPRVBGE-UWVGGRQHSA-N 1 0 221.325 3.753 10 0 BHAERO C[C@@H]([NH2+][C@H](C)c1cccs1)c1ccco1 ZINC000020148304 347413017 /nfs/dbraw/zinc/41/30/17/347413017.db2.gz HDGWUJQCPRVBGE-NXEZZACHSA-N 1 0 221.325 3.753 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccs1 ZINC000020148305 347412691 /nfs/dbraw/zinc/41/26/91/347412691.db2.gz HDGWUJQCPRVBGE-VHSXEESVSA-N 1 0 221.325 3.753 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(O)c1 ZINC000020148386 342972072 /nfs/dbraw/zinc/97/20/72/342972072.db2.gz LCDLNJPGVUHEQS-MNOVXSKESA-N 1 0 247.363 3.866 10 0 BHAERO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cccs1 ZINC000020148387 384584455 /nfs/dbraw/zinc/58/44/55/384584455.db2.gz LCDLNJPGVUHEQS-QWRGUYRKSA-N 1 0 247.363 3.866 10 0 BHAERO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1cccs1 ZINC000020148388 342972116 /nfs/dbraw/zinc/97/21/16/342972116.db2.gz LCDLNJPGVUHEQS-GHMZBOCLSA-N 1 0 247.363 3.866 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cccs1 ZINC000020148389 342972172 /nfs/dbraw/zinc/97/21/72/342972172.db2.gz LCDLNJPGVUHEQS-WDEREUQCSA-N 1 0 247.363 3.866 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000020148606 169360272 /nfs/dbraw/zinc/36/02/72/169360272.db2.gz ZBBAJSSREFWQCU-MNOVXSKESA-N 1 0 211.374 3.835 10 0 BHAERO CCC[C@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000020148607 590077010 /nfs/dbraw/zinc/07/70/10/590077010.db2.gz ZBBAJSSREFWQCU-QWRGUYRKSA-N 1 0 211.374 3.835 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000020148608 169360955 /nfs/dbraw/zinc/36/09/55/169360955.db2.gz ZBBAJSSREFWQCU-GHMZBOCLSA-N 1 0 211.374 3.835 10 0 BHAERO CCC[C@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000020148609 590077433 /nfs/dbraw/zinc/07/74/33/590077433.db2.gz ZBBAJSSREFWQCU-WDEREUQCSA-N 1 0 211.374 3.835 10 0 BHAERO CCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1F ZINC000020177171 170557457 /nfs/dbraw/zinc/55/74/57/170557457.db2.gz DPWORWNNIOWVLP-LLVKDONJSA-N 1 0 239.334 3.531 10 0 BHAERO CCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1F ZINC000020177173 342974069 /nfs/dbraw/zinc/97/40/69/342974069.db2.gz DPWORWNNIOWVLP-NSHDSACASA-N 1 0 239.334 3.531 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(C)c1 ZINC000020207185 385347905 /nfs/dbraw/zinc/34/79/05/385347905.db2.gz RTZOQZYBJWCELQ-LZWOXQAQSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)c1 ZINC000020207189 385347624 /nfs/dbraw/zinc/34/76/24/385347624.db2.gz RTZOQZYBJWCELQ-DZKIICNBSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000020207216 259391053 /nfs/dbraw/zinc/39/10/53/259391053.db2.gz BWDOCHSDYXVHFZ-LZWOXQAQSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000020207219 259391080 /nfs/dbraw/zinc/39/10/80/259391080.db2.gz BWDOCHSDYXVHFZ-DZKIICNBSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1C ZINC000020207925 259391089 /nfs/dbraw/zinc/39/10/89/259391089.db2.gz PDMLZVQVUZJQCA-LZWOXQAQSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1C ZINC000020207929 259390983 /nfs/dbraw/zinc/39/09/83/259390983.db2.gz PDMLZVQVUZJQCA-DZKIICNBSA-N 1 0 247.382 3.522 10 0 BHAERO CCC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]2)cc1 ZINC000020221630 168305852 /nfs/dbraw/zinc/30/58/52/168305852.db2.gz UIBHESXANLKPJH-AWEZNQCLSA-N 1 0 247.382 3.505 10 0 BHAERO CC(C)c1cccc(C(C)C)c1N(C)CCC[NH3+] ZINC000020239952 188108862 /nfs/dbraw/zinc/10/88/62/188108862.db2.gz KLLLFLFNQHWLQF-UHFFFAOYSA-N 1 0 248.414 3.718 10 0 BHAERO CC[C@@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000020264983 170888375 /nfs/dbraw/zinc/88/83/75/170888375.db2.gz FCJXGHVWSPVQTG-CYBMUJFWSA-N 1 0 205.345 3.655 10 0 BHAERO CC[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000020265028 170888538 /nfs/dbraw/zinc/88/85/38/170888538.db2.gz QSZZNBOQUYJDGU-SNVBAGLBSA-N 1 0 218.127 3.664 10 0 BHAERO C[C@H]([NH3+])c1ccc(-c2cccc(Cl)c2)o1 ZINC000020267847 176775966 /nfs/dbraw/zinc/77/59/66/176775966.db2.gz FQVKVNXDYPURPJ-QMMMGPOBSA-N 1 0 221.687 3.620 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)CCC(C)C)cc(C)c1O ZINC000020305211 178037323 /nfs/dbraw/zinc/03/73/23/178037323.db2.gz WDQLTWVVPBRKSJ-CQSZACIVSA-N 1 0 249.398 3.923 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)CCC(C)C)cc(C)c1O ZINC000020305213 178029676 /nfs/dbraw/zinc/02/96/76/178029676.db2.gz WDQLTWVVPBRKSJ-AWEZNQCLSA-N 1 0 249.398 3.923 10 0 BHAERO Cc1cc(C[NH2+]C2CCC(C)CC2)cc(C)c1O ZINC000020305296 178019529 /nfs/dbraw/zinc/01/95/29/178019529.db2.gz OAWXHYCGPISLFT-UHFFFAOYSA-N 1 0 247.382 3.677 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000020305342 323084723 /nfs/dbraw/zinc/08/47/23/323084723.db2.gz SIEBGDMFHHHLIR-SNVBAGLBSA-N 1 0 245.288 3.840 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000020305343 323084731 /nfs/dbraw/zinc/08/47/31/323084731.db2.gz SIEBGDMFHHHLIR-JTQLQIEISA-N 1 0 245.288 3.840 10 0 BHAERO CCCCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305345 323084737 /nfs/dbraw/zinc/08/47/37/323084737.db2.gz TUBIKVUBFYVQPA-AWEZNQCLSA-N 1 0 249.398 4.000 10 0 BHAERO CCCCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305346 323084716 /nfs/dbraw/zinc/08/47/16/323084716.db2.gz TUBIKVUBFYVQPA-CQSZACIVSA-N 1 0 249.398 4.000 10 0 BHAERO CC(C)c1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305358 323084712 /nfs/dbraw/zinc/08/47/12/323084712.db2.gz UVWTXLFSZLOISS-CYBMUJFWSA-N 1 0 219.372 3.944 10 0 BHAERO CC(C)c1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305359 323084717 /nfs/dbraw/zinc/08/47/17/323084717.db2.gz UVWTXLFSZLOISS-ZDUSSCGKSA-N 1 0 219.372 3.944 10 0 BHAERO CC(C)[NH2+]CCCOc1ccc(C(C)(C)C)cc1 ZINC000020360826 167102237 /nfs/dbraw/zinc/10/22/37/167102237.db2.gz VQGFUOWDHBMJFX-UHFFFAOYSA-N 1 0 249.398 3.751 10 0 BHAERO CC(C)(C)c1ccc(OCCC[NH2+]C2CC2)cc1 ZINC000020361155 187591169 /nfs/dbraw/zinc/59/11/69/187591169.db2.gz CEOIUYARIQOZAE-UHFFFAOYSA-N 1 0 247.382 3.505 10 0 BHAERO CCC[NH2+]CCCOc1ccc(C(C)(C)C)cc1 ZINC000020361263 169256889 /nfs/dbraw/zinc/25/68/89/169256889.db2.gz MZBWUIQRBQHASR-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO CCCCCC[NH2+]CCc1ccc(F)cc1 ZINC000020361273 168666392 /nfs/dbraw/zinc/66/63/92/168666392.db2.gz UFSYDCVBUMFPFO-UHFFFAOYSA-N 1 0 223.335 3.538 10 0 BHAERO CCCCCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000020361292 343140166 /nfs/dbraw/zinc/14/01/66/343140166.db2.gz XWZHZQNPWLWXRN-UHFFFAOYSA-N 1 0 244.382 3.880 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000020361560 259399108 /nfs/dbraw/zinc/39/91/08/259399108.db2.gz HBBVIPCMISUCSC-SECBINFHSA-N 1 0 229.726 3.613 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000020361561 259398987 /nfs/dbraw/zinc/39/89/87/259398987.db2.gz HBBVIPCMISUCSC-VIFPVBQESA-N 1 0 229.726 3.613 10 0 BHAERO CCCCCC[C@@](C)(CN)[NH+]1CCCCCC1 ZINC000020362565 168677176 /nfs/dbraw/zinc/67/71/76/168677176.db2.gz ZBACTBHCSJUFNP-HNNXBMFYSA-N 1 0 240.435 3.550 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000020374957 168971072 /nfs/dbraw/zinc/97/10/72/168971072.db2.gz STFLDYPRSSJEGF-SSDOTTSWSA-N 1 0 203.738 3.592 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(Cl)s1 ZINC000020374961 169009500 /nfs/dbraw/zinc/00/95/00/169009500.db2.gz STFLDYPRSSJEGF-ZETCQYMHSA-N 1 0 203.738 3.592 10 0 BHAERO CCC(CC)[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000020384829 168401419 /nfs/dbraw/zinc/40/14/19/168401419.db2.gz INHVZZTUMPHZEH-OAHLLOKOSA-N 1 0 217.356 3.611 10 0 BHAERO Cc1cccc2cc([C@@H]([NH3+])c3ccccc3)oc21 ZINC000020389173 179226746 /nfs/dbraw/zinc/22/67/46/179226746.db2.gz AUNSCJKVDMKASD-HNNXBMFYSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1cccc2cc([C@H]([NH3+])c3ccccc3)oc21 ZINC000020389179 179228668 /nfs/dbraw/zinc/22/86/68/179228668.db2.gz AUNSCJKVDMKASD-OAHLLOKOSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1ccc2cc([C@@H]([NH3+])c3ccccc3)oc2c1 ZINC000020389263 178969284 /nfs/dbraw/zinc/96/92/84/178969284.db2.gz LNCOKDIRBZDFRI-INIZCTEOSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1ccc2oc([C@@H]([NH3+])c3ccccc3)cc2c1 ZINC000020389351 188108834 /nfs/dbraw/zinc/10/88/34/188108834.db2.gz RTLYBMBBICPKKW-INIZCTEOSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000020390942 178325383 /nfs/dbraw/zinc/32/53/83/178325383.db2.gz UYWNHSHLXFPBTM-GFCCVEGCSA-N 1 0 211.308 3.682 10 0 BHAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000020390945 178325955 /nfs/dbraw/zinc/32/59/55/178325955.db2.gz UYWNHSHLXFPBTM-LBPRGKRZSA-N 1 0 211.308 3.682 10 0 BHAERO CCOc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000020391083 590105293 /nfs/dbraw/zinc/10/52/93/590105293.db2.gz AEGZAPGVOOPOGZ-GFCCVEGCSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000020391086 170530937 /nfs/dbraw/zinc/53/09/37/170530937.db2.gz AEGZAPGVOOPOGZ-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000020391173 179324529 /nfs/dbraw/zinc/32/45/29/179324529.db2.gz NLNPRKHEDJSIAR-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000020391177 179343945 /nfs/dbraw/zinc/34/39/45/179343945.db2.gz NLNPRKHEDJSIAR-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1ccccc1Cl ZINC000020391273 179324747 /nfs/dbraw/zinc/32/47/47/179324747.db2.gz UOSGNGYLBKBBFL-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1ccccc1Cl ZINC000020391276 179344152 /nfs/dbraw/zinc/34/41/52/179344152.db2.gz UOSGNGYLBKBBFL-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000020391412 178324920 /nfs/dbraw/zinc/32/49/20/178324920.db2.gz FSGBILODNWVXIS-CYBMUJFWSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1C ZINC000020391415 178326018 /nfs/dbraw/zinc/32/60/18/178326018.db2.gz FSGBILODNWVXIS-ZDUSSCGKSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1cccc(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000020391697 178993780 /nfs/dbraw/zinc/99/37/80/178993780.db2.gz FYYRTIJVLVBNGS-LBPRGKRZSA-N 1 0 211.308 3.682 10 0 BHAERO CCCCCOc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1 ZINC000020392189 168730774 /nfs/dbraw/zinc/73/07/74/168730774.db2.gz DPOZKLOFYWPCIV-KCXAZCMYSA-N 1 0 247.382 3.706 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428687 169372010 /nfs/dbraw/zinc/37/20/10/169372010.db2.gz GKYTXIHFJMKNDA-DOMZBBRYSA-N 1 0 242.366 3.541 10 0 BHAERO CCC[C@H](C)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428689 169494841 /nfs/dbraw/zinc/49/48/41/169494841.db2.gz GKYTXIHFJMKNDA-WFASDCNBSA-N 1 0 242.366 3.541 10 0 BHAERO CCC[C@@H](C)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428692 169373203 /nfs/dbraw/zinc/37/32/03/169373203.db2.gz GKYTXIHFJMKNDA-IUODEOHRSA-N 1 0 242.366 3.541 10 0 BHAERO CCC[C@H](C)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428695 169495384 /nfs/dbraw/zinc/49/53/84/169495384.db2.gz GKYTXIHFJMKNDA-SWLSCSKDSA-N 1 0 242.366 3.541 10 0 BHAERO COc1ccc(C)cc1C1(C[NH3+])CCCCCC1 ZINC000020429512 175074040 /nfs/dbraw/zinc/07/40/40/175074040.db2.gz AFQFFFPCGRPQJF-UHFFFAOYSA-N 1 0 247.382 3.554 10 0 BHAERO CC(C)c1ccc(C2(C[NH3+])CCCCC2)cc1 ZINC000020429547 167591856 /nfs/dbraw/zinc/59/18/56/167591856.db2.gz NDKIOBQBSLKERO-UHFFFAOYSA-N 1 0 231.383 3.971 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2cccc(F)c2)c(C)s1 ZINC000020431450 178237357 /nfs/dbraw/zinc/23/73/57/178237357.db2.gz XGJGVBZAXUNULR-AWEZNQCLSA-N 1 0 249.354 3.747 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2cccc(F)c2)c(C)s1 ZINC000020431451 178263363 /nfs/dbraw/zinc/26/33/63/178263363.db2.gz XGJGVBZAXUNULR-CQSZACIVSA-N 1 0 249.354 3.747 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434723 169372287 /nfs/dbraw/zinc/37/22/87/169372287.db2.gz PGLXLLBGKOJSFS-IUODEOHRSA-N 1 0 235.371 3.910 10 0 BHAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434724 169495056 /nfs/dbraw/zinc/49/50/56/169495056.db2.gz PGLXLLBGKOJSFS-SWLSCSKDSA-N 1 0 235.371 3.910 10 0 BHAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434725 169373340 /nfs/dbraw/zinc/37/33/40/169373340.db2.gz PGLXLLBGKOJSFS-DOMZBBRYSA-N 1 0 235.371 3.910 10 0 BHAERO CCC[C@H](C)[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434726 169495153 /nfs/dbraw/zinc/49/51/53/169495153.db2.gz PGLXLLBGKOJSFS-WFASDCNBSA-N 1 0 235.371 3.910 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434812 188108414 /nfs/dbraw/zinc/10/84/14/188108414.db2.gz PDQFCFSBSIEMSJ-AWEZNQCLSA-N 1 0 221.344 3.520 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccncc2)c(C)o1 ZINC000020438594 178258396 /nfs/dbraw/zinc/25/83/96/178258396.db2.gz VIFPQQWSSCXBDF-NEPJUHHUSA-N 1 0 244.338 3.703 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c(C)o1 ZINC000020438597 178253430 /nfs/dbraw/zinc/25/34/30/178253430.db2.gz VIFPQQWSSCXBDF-RYUDHWBXSA-N 1 0 244.338 3.703 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(C)o1 ZINC000020438600 178232982 /nfs/dbraw/zinc/23/29/82/178232982.db2.gz VIFPQQWSSCXBDF-VXGBXAGGSA-N 1 0 244.338 3.703 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(C)o1 ZINC000020438603 178231425 /nfs/dbraw/zinc/23/14/25/178231425.db2.gz VIFPQQWSSCXBDF-NWDGAFQWSA-N 1 0 244.338 3.703 10 0 BHAERO [NH2+]=C1CCCN1c1ccccc1-c1ccccc1 ZINC000020444017 181206880 /nfs/dbraw/zinc/20/68/80/181206880.db2.gz XFQYAZYVAWGLSW-UHFFFAOYSA-N 1 0 236.318 3.931 10 0 BHAERO C[C@@H](N1CCCC1=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC000020444083 175822808 /nfs/dbraw/zinc/82/28/08/175822808.db2.gz PSBUSRXXDRJTEZ-UWJCENJNSA-N 1 0 246.398 3.664 10 0 BHAERO Cc1cc(Oc2ccccc2C[NH3+])ccc1Cl ZINC000020469862 178215212 /nfs/dbraw/zinc/21/52/12/178215212.db2.gz KXLZENAJNKUDQY-UHFFFAOYSA-N 1 0 247.725 3.899 10 0 BHAERO Cc1cccc(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020470264 187254248 /nfs/dbraw/zinc/25/42/48/187254248.db2.gz CSDLUEAIKFMNHN-UHFFFAOYSA-N 1 0 247.725 3.899 10 0 BHAERO [NH3+]Cc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000020470288 343140239 /nfs/dbraw/zinc/14/02/39/343140239.db2.gz ONABZYNNGTXOOM-UHFFFAOYSA-N 1 0 233.698 3.591 10 0 BHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(F)c1 ZINC000020473454 177113771 /nfs/dbraw/zinc/11/37/71/177113771.db2.gz ZNKNWWNKKWMQLP-ODOQXGPZSA-N 1 0 235.346 3.740 10 0 BHAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000020482246 169000707 /nfs/dbraw/zinc/00/07/07/169000707.db2.gz VSRMVXCLDIZJKL-SWLSCSKDSA-N 1 0 235.371 3.911 10 0 BHAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000020482251 169000624 /nfs/dbraw/zinc/00/06/24/169000624.db2.gz VSRMVXCLDIZJKL-WFASDCNBSA-N 1 0 235.371 3.911 10 0 BHAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000020482604 169000732 /nfs/dbraw/zinc/00/07/32/169000732.db2.gz RCZBORLRXIRVLF-BLLLJJGKSA-N 1 0 247.382 3.838 10 0 BHAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000020482608 169001483 /nfs/dbraw/zinc/00/14/83/169001483.db2.gz RCZBORLRXIRVLF-LRDDRELGSA-N 1 0 247.382 3.838 10 0 BHAERO CCCC[C@H](CC)c1[nH]c2ccc(N)cc2[nH+]1 ZINC000020482763 169000676 /nfs/dbraw/zinc/00/06/76/169000676.db2.gz HWICIYNRYSGSMB-JTQLQIEISA-N 1 0 231.343 3.829 10 0 BHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccccc1 ZINC000020484979 168807135 /nfs/dbraw/zinc/80/71/35/168807135.db2.gz WPDPIRISSVIAEU-INIZCTEOSA-N 1 0 248.414 3.589 10 0 BHAERO CCC(C)(C)OC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000020511740 168302707 /nfs/dbraw/zinc/30/27/07/168302707.db2.gz CRZLYTQJBXYUQT-GFCCVEGCSA-N 1 0 247.338 3.638 10 0 BHAERO CCC(C)(C)OC[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020511742 168304359 /nfs/dbraw/zinc/30/43/59/168304359.db2.gz CRZLYTQJBXYUQT-LBPRGKRZSA-N 1 0 247.338 3.638 10 0 BHAERO CCC(C)(C)OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020511770 168302878 /nfs/dbraw/zinc/30/28/78/168302878.db2.gz OFYSXEBTEYABJK-CQSZACIVSA-N 1 0 249.398 3.817 10 0 BHAERO CCC(C)(C)OC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020511772 168304161 /nfs/dbraw/zinc/30/41/61/168304161.db2.gz OFYSXEBTEYABJK-AWEZNQCLSA-N 1 0 249.398 3.817 10 0 BHAERO C[C@@H]1CCC[C@@H](O[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000020513258 176125456 /nfs/dbraw/zinc/12/54/56/176125456.db2.gz TXEHKDVTTWFRPZ-APIJFGDWSA-N 1 0 239.403 3.632 10 0 BHAERO C[C@H]1CCC[C@@H](O[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000020513261 177123718 /nfs/dbraw/zinc/12/37/18/177123718.db2.gz TXEHKDVTTWFRPZ-LJISPDSOSA-N 1 0 239.403 3.632 10 0 BHAERO C[C@@H]1CCC[C@H](O[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000020513264 176146243 /nfs/dbraw/zinc/14/62/43/176146243.db2.gz TXEHKDVTTWFRPZ-CBBWQLFWSA-N 1 0 239.403 3.632 10 0 BHAERO C[C@H]1CCC[C@H](O[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000020513266 177138398 /nfs/dbraw/zinc/13/83/98/177138398.db2.gz TXEHKDVTTWFRPZ-ZQDZILKHSA-N 1 0 239.403 3.632 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000020517091 176124959 /nfs/dbraw/zinc/12/49/59/176124959.db2.gz NYMPHTUYZAPTON-LALPHHSUSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000020517092 177123392 /nfs/dbraw/zinc/12/33/92/177123392.db2.gz NYMPHTUYZAPTON-YWPYICTPSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000020517093 176146423 /nfs/dbraw/zinc/14/64/23/176146423.db2.gz NYMPHTUYZAPTON-JMSVASOKSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[C@H](C)C2)cc1 ZINC000020517094 177138931 /nfs/dbraw/zinc/13/89/31/177138931.db2.gz NYMPHTUYZAPTON-ZOWXZIJZSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020517103 176125017 /nfs/dbraw/zinc/12/50/17/176125017.db2.gz LEJHDKGNLOAJBZ-JHJVBQTASA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@@H]1CCC[C@H](C)C1 ZINC000020517104 177123705 /nfs/dbraw/zinc/12/37/05/177123705.db2.gz LEJHDKGNLOAJBZ-YNEHKIRRSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCC[C@@H](C)C1 ZINC000020517105 176145914 /nfs/dbraw/zinc/14/59/14/176145914.db2.gz LEJHDKGNLOAJBZ-UPJWGTAASA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCC[C@H](C)C1 ZINC000020517106 177139337 /nfs/dbraw/zinc/13/93/37/177139337.db2.gz LEJHDKGNLOAJBZ-XQQFMLRXSA-N 1 0 233.355 3.664 10 0 BHAERO CCCCC[C@H](C[NH3+])N(CC)c1ccccc1C ZINC000020520661 168744798 /nfs/dbraw/zinc/74/47/98/168744798.db2.gz GBQODXKIABEWMB-OAHLLOKOSA-N 1 0 248.414 3.729 10 0 BHAERO CCCCC[C@H](CN)[NH+](CCCC)CCCC ZINC000020520705 168745425 /nfs/dbraw/zinc/74/54/25/168745425.db2.gz LXAKVJIMRYICIY-OAHLLOKOSA-N 1 0 242.451 3.796 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020522558 167383452 /nfs/dbraw/zinc/38/34/52/167383452.db2.gz QXYCRWOCNKWHBO-OLZOCXBDSA-N 1 0 231.383 3.870 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020522560 187254018 /nfs/dbraw/zinc/25/40/18/187254018.db2.gz QXYCRWOCNKWHBO-STQMWFEESA-N 1 0 231.383 3.870 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000020522561 167385638 /nfs/dbraw/zinc/38/56/38/167385638.db2.gz QXYCRWOCNKWHBO-CHWSQXEVSA-N 1 0 231.383 3.870 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000020522562 188282381 /nfs/dbraw/zinc/28/23/81/188282381.db2.gz QXYCRWOCNKWHBO-QWHCGFSZSA-N 1 0 231.383 3.870 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1cccs1 ZINC000020522607 590118379 /nfs/dbraw/zinc/11/83/79/590118379.db2.gz XCDPJCNYJAKWIT-WDEREUQCSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1cccs1 ZINC000020522608 171536252 /nfs/dbraw/zinc/53/62/52/171536252.db2.gz XCDPJCNYJAKWIT-QWRGUYRKSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1cccs1 ZINC000020522609 590118777 /nfs/dbraw/zinc/11/87/77/590118777.db2.gz XCDPJCNYJAKWIT-GHMZBOCLSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1cccs1 ZINC000020522610 590118711 /nfs/dbraw/zinc/11/87/11/590118711.db2.gz XCDPJCNYJAKWIT-MNOVXSKESA-N 1 0 211.374 3.833 10 0 BHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000020522762 175207891 /nfs/dbraw/zinc/20/78/91/175207891.db2.gz NZYAMSFXVFARKR-LRDDRELGSA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000020522764 175207479 /nfs/dbraw/zinc/20/74/79/175207479.db2.gz NZYAMSFXVFARKR-BLLLJJGKSA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000020522766 175207962 /nfs/dbraw/zinc/20/79/62/175207962.db2.gz NZYAMSFXVFARKR-WBMJQRKESA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)C(C)C ZINC000020522768 175208734 /nfs/dbraw/zinc/20/87/34/175208734.db2.gz NZYAMSFXVFARKR-MLGOLLRUSA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522830 175079578 /nfs/dbraw/zinc/07/95/78/175079578.db2.gz SPTVCEYGOOQIIW-QWHCGFSZSA-N 1 0 235.371 3.699 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522832 175081497 /nfs/dbraw/zinc/08/14/97/175081497.db2.gz SPTVCEYGOOQIIW-STQMWFEESA-N 1 0 235.371 3.699 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000020522834 175078835 /nfs/dbraw/zinc/07/88/35/175078835.db2.gz SPTVCEYGOOQIIW-CHWSQXEVSA-N 1 0 235.371 3.699 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000020522836 175081000 /nfs/dbraw/zinc/08/10/00/175081000.db2.gz SPTVCEYGOOQIIW-OLZOCXBDSA-N 1 0 235.371 3.699 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000020522857 259398706 /nfs/dbraw/zinc/39/87/06/259398706.db2.gz GJYNOBVRGJWJSZ-ZJUUUORDSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000020522859 259398446 /nfs/dbraw/zinc/39/84/46/259398446.db2.gz GJYNOBVRGJWJSZ-UWVGGRQHSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000020522861 259398615 /nfs/dbraw/zinc/39/86/15/259398615.db2.gz GJYNOBVRGJWJSZ-NXEZZACHSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000020522863 259398463 /nfs/dbraw/zinc/39/84/63/259398463.db2.gz GJYNOBVRGJWJSZ-VHSXEESVSA-N 1 0 227.298 3.660 10 0 BHAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522919 347440824 /nfs/dbraw/zinc/44/08/24/347440824.db2.gz SRVJNEUENHYLIP-QWHCGFSZSA-N 1 0 235.371 3.780 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522920 347440655 /nfs/dbraw/zinc/44/06/55/347440655.db2.gz SRVJNEUENHYLIP-STQMWFEESA-N 1 0 235.371 3.780 10 0 BHAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000020522921 347440445 /nfs/dbraw/zinc/44/04/45/347440445.db2.gz SRVJNEUENHYLIP-CHWSQXEVSA-N 1 0 235.371 3.780 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000020522922 347440804 /nfs/dbraw/zinc/44/08/04/347440804.db2.gz SRVJNEUENHYLIP-OLZOCXBDSA-N 1 0 235.371 3.780 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020522954 167384168 /nfs/dbraw/zinc/38/41/68/167384168.db2.gz OXHXFMQHNGIVJH-ZJUUUORDSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020522955 187767849 /nfs/dbraw/zinc/76/78/49/187767849.db2.gz OXHXFMQHNGIVJH-UWVGGRQHSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000020522956 167385134 /nfs/dbraw/zinc/38/51/34/167385134.db2.gz OXHXFMQHNGIVJH-NXEZZACHSA-N 1 0 227.298 3.660 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000020523122 342747303 /nfs/dbraw/zinc/74/73/03/342747303.db2.gz GQVYDEOTHAHJAG-SMDDNHRTSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000020523123 342747294 /nfs/dbraw/zinc/74/72/94/342747294.db2.gz GQVYDEOTHAHJAG-FZMZJTMJSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000020523124 170911505 /nfs/dbraw/zinc/91/15/05/170911505.db2.gz GQVYDEOTHAHJAG-BXUZGUMPSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000020523125 171543889 /nfs/dbraw/zinc/54/38/89/171543889.db2.gz GQVYDEOTHAHJAG-RISCZKNCSA-N 1 0 223.335 3.911 10 0 BHAERO CCCC[C@@H](CC)C[NH2+][C@H](C)CC(C)(C)OC ZINC000020524561 168959026 /nfs/dbraw/zinc/95/90/26/168959026.db2.gz RYILCCJQOATYLM-ZIAGYGMSSA-N 1 0 243.435 3.996 10 0 BHAERO CC[NH2+]CCCOc1cc(C)ccc1C(C)(C)C ZINC000020524880 170113053 /nfs/dbraw/zinc/11/30/53/170113053.db2.gz AODYNTYWQKVQJZ-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO Cc1ccc(C(C)(C)C)c(OCC[NH2+]C(C)C)c1 ZINC000020524882 178447990 /nfs/dbraw/zinc/44/79/90/178447990.db2.gz HNKIIEHYBDUHIO-UHFFFAOYSA-N 1 0 249.398 3.669 10 0 BHAERO CCC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000020524883 169260143 /nfs/dbraw/zinc/26/01/43/169260143.db2.gz KGFLEHOOIKGCNS-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO CC[NH2+]CCOc1ccc(CC)cc1C(C)(C)C ZINC000020525009 170116463 /nfs/dbraw/zinc/11/64/63/170116463.db2.gz YLXDWDDKPMUAGA-UHFFFAOYSA-N 1 0 249.398 3.535 10 0 BHAERO CC(C)[NH2+]CCCOc1ccccc1C(C)(C)C ZINC000020525038 167102208 /nfs/dbraw/zinc/10/22/08/167102208.db2.gz SLKYOQWHTKJRRF-UHFFFAOYSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+]CCCOc1ccccc1C(C)(C)C ZINC000020525039 169257573 /nfs/dbraw/zinc/25/75/73/169257573.db2.gz NAQHQXOILJNLTQ-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO CC(C)[NH2+]CCCOc1ccc(C(C)C)cc1 ZINC000020525085 167102119 /nfs/dbraw/zinc/10/21/19/167102119.db2.gz NPCPYEAITJMVIS-UHFFFAOYSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]CCCOc1ccc(C(C)C)cc1 ZINC000020525086 169256543 /nfs/dbraw/zinc/25/65/43/169256543.db2.gz UPGVNZKUNZQSGW-UHFFFAOYSA-N 1 0 235.371 3.579 10 0 BHAERO CC(C)[NH2+]CCCOc1cccc(C(C)C)c1 ZINC000020525102 167102122 /nfs/dbraw/zinc/10/21/22/167102122.db2.gz JOANFTQXKJBEKZ-UHFFFAOYSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]CCCOc1cccc(C(C)C)c1 ZINC000020525103 169256438 /nfs/dbraw/zinc/25/64/38/169256438.db2.gz KSPJKKXQGXFWRS-UHFFFAOYSA-N 1 0 235.371 3.579 10 0 BHAERO Cc1cc(OCCC[NH2+]C(C)C)ccc1C(C)C ZINC000020525164 178211556 /nfs/dbraw/zinc/21/15/56/178211556.db2.gz ZZKGXYFGOJYMGH-UHFFFAOYSA-N 1 0 249.398 3.885 10 0 BHAERO CC[NH2+]CCCOc1ccc(C(C)(C)CC)cc1 ZINC000020525182 170112727 /nfs/dbraw/zinc/11/27/27/170112727.db2.gz NQTCPPXTBKGUQE-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO CCC[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000020525185 169260322 /nfs/dbraw/zinc/26/03/22/169260322.db2.gz NWUWWNVDDBEEPF-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO CCC[NH2+]CCCOc1cccc2ccccc21 ZINC000020525249 169257379 /nfs/dbraw/zinc/25/73/79/169257379.db2.gz HDRLJFFYIKEBIG-UHFFFAOYSA-N 1 0 243.350 3.608 10 0 BHAERO CCC[NH2+]CCCOc1ccc2ccccc2c1 ZINC000020525272 169256829 /nfs/dbraw/zinc/25/68/29/169256829.db2.gz OIAYYYONFCASOM-UHFFFAOYSA-N 1 0 243.350 3.608 10 0 BHAERO CC(C)[NH2+]CCCOc1ccccc1C(C)C ZINC000020525294 167103115 /nfs/dbraw/zinc/10/31/15/167103115.db2.gz AUBJHKRBLSZSDY-UHFFFAOYSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]CCCOc1ccccc1C(C)C ZINC000020525295 169256854 /nfs/dbraw/zinc/25/68/54/169256854.db2.gz FNCYOYJRICAVEB-UHFFFAOYSA-N 1 0 235.371 3.579 10 0 BHAERO CC[C@@H](C)c1ccccc1OCCC[NH2+]C(C)C ZINC000020525301 170805620 /nfs/dbraw/zinc/80/56/20/170805620.db2.gz CVUOOGCIALHPJN-CQSZACIVSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+]CCOc1ccccc1[C@@H](C)CC ZINC000020525311 169260432 /nfs/dbraw/zinc/26/04/32/169260432.db2.gz SNPIMBAYIOJRTM-ZDUSSCGKSA-N 1 0 235.371 3.579 10 0 BHAERO CCC[NH2+]CCOc1ccccc1[C@H](C)CC ZINC000020525312 169260528 /nfs/dbraw/zinc/26/05/28/169260528.db2.gz SNPIMBAYIOJRTM-CYBMUJFWSA-N 1 0 235.371 3.579 10 0 BHAERO CC[NH2+]CCCOc1ccc(C)cc1C(C)(C)C ZINC000020525390 170112902 /nfs/dbraw/zinc/11/29/02/170112902.db2.gz UZJNWJXXTDBJGP-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO CCC[NH2+]CCOc1ccc(C)cc1C(C)(C)C ZINC000020525393 169260178 /nfs/dbraw/zinc/26/01/78/169260178.db2.gz QXKCCWPMKMDMOO-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])CCC)cc1 ZINC000020544673 169022056 /nfs/dbraw/zinc/02/20/56/169022056.db2.gz NXONAFCZONPCBB-AWEZNQCLSA-N 1 0 205.345 3.829 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])CCC)cc1 ZINC000020544675 169023729 /nfs/dbraw/zinc/02/37/29/169023729.db2.gz NXONAFCZONPCBB-CQSZACIVSA-N 1 0 205.345 3.829 10 0 BHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1ccccc1F ZINC000020544789 177114011 /nfs/dbraw/zinc/11/40/11/177114011.db2.gz VTSGUPIQKHZPIN-OCZCAGDBSA-N 1 0 249.373 3.783 10 0 BHAERO CC(C)C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020545069 167013592 /nfs/dbraw/zinc/01/35/92/167013592.db2.gz ITSVMDZYIASXLW-DYCFOQDWSA-N 1 0 235.415 3.837 10 0 BHAERO CCC[C@@H]([NH3+])[C@@H](CC)N(CC)c1ccccc1C ZINC000020546758 169393141 /nfs/dbraw/zinc/39/31/41/169393141.db2.gz VVUIDWXPHZPVEL-HUUCEWRRSA-N 1 0 248.414 3.727 10 0 BHAERO CCC[C@@H]([NH3+])[C@H](CC)N(CC)c1ccccc1C ZINC000020546760 169393337 /nfs/dbraw/zinc/39/33/37/169393337.db2.gz VVUIDWXPHZPVEL-CABCVRRESA-N 1 0 248.414 3.727 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000020547306 170805859 /nfs/dbraw/zinc/80/58/59/170805859.db2.gz FNJITMFHEGASGD-IVMMDQJWSA-N 1 0 247.382 3.849 10 0 BHAERO CC[C@H](C)c1ccccc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000020547307 171413266 /nfs/dbraw/zinc/41/32/66/171413266.db2.gz FNJITMFHEGASGD-DUVNUKRYSA-N 1 0 247.382 3.849 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@H]1CCCC[C@@H]1[NH3+] ZINC000020547308 170805755 /nfs/dbraw/zinc/80/57/55/170805755.db2.gz FNJITMFHEGASGD-INWMFGNUSA-N 1 0 247.382 3.849 10 0 BHAERO CCC(C)(C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020548230 538931884 /nfs/dbraw/zinc/93/18/84/538931884.db2.gz NSQWQQPZCGODNB-VXGBXAGGSA-N 1 0 211.393 3.979 10 0 BHAERO CCC(C)(C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020548231 538931744 /nfs/dbraw/zinc/93/17/44/538931744.db2.gz NSQWQQPZCGODNB-NEPJUHHUSA-N 1 0 211.393 3.979 10 0 BHAERO CCC(C)(C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020548232 538105356 /nfs/dbraw/zinc/10/53/56/538105356.db2.gz NSQWQQPZCGODNB-NWDGAFQWSA-N 1 0 211.393 3.979 10 0 BHAERO CCC(C)(C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020548233 538105358 /nfs/dbraw/zinc/10/53/58/538105358.db2.gz NSQWQQPZCGODNB-RYUDHWBXSA-N 1 0 211.393 3.979 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc(CCC)cc1 ZINC000020548980 168970278 /nfs/dbraw/zinc/97/02/78/168970278.db2.gz PCDQWJWCBOOVLP-CQSZACIVSA-N 1 0 205.345 3.829 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(CCC)cc1 ZINC000020548981 169009394 /nfs/dbraw/zinc/00/93/94/169009394.db2.gz PCDQWJWCBOOVLP-AWEZNQCLSA-N 1 0 205.345 3.829 10 0 BHAERO CC(C)Cc1ccc([C@@H]([NH3+])CC(C)C)cc1 ZINC000020549326 187254099 /nfs/dbraw/zinc/25/40/99/187254099.db2.gz JCIGOAPCXFELBE-HNNXBMFYSA-N 1 0 219.372 3.931 10 0 BHAERO CC(C)[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020549738 167132846 /nfs/dbraw/zinc/13/28/46/167132846.db2.gz DHOQEEREJNRAAU-NSHDSACASA-N 1 0 239.334 3.672 10 0 BHAERO CC(C)[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020549740 167138600 /nfs/dbraw/zinc/13/86/00/167138600.db2.gz DHOQEEREJNRAAU-LLVKDONJSA-N 1 0 239.334 3.672 10 0 BHAERO CC(C)CC[NH2+]CCCn1ccc2ccccc21 ZINC000020549906 259399813 /nfs/dbraw/zinc/39/98/13/259399813.db2.gz IJKSWLNTTKHJOJ-UHFFFAOYSA-N 1 0 244.382 3.667 10 0 BHAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(O)c(F)c1 ZINC000020551065 397966641 /nfs/dbraw/zinc/96/66/41/397966641.db2.gz QMPVRIQYZHXADS-SNVBAGLBSA-N 1 0 237.318 3.515 10 0 BHAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(O)c(F)c1 ZINC000020551067 176829215 /nfs/dbraw/zinc/82/92/15/176829215.db2.gz QMPVRIQYZHXADS-JTQLQIEISA-N 1 0 237.318 3.515 10 0 BHAERO CCC(CC)C[NH2+]CCC1=CCCCC1 ZINC000020551156 168359815 /nfs/dbraw/zinc/35/98/15/168359815.db2.gz KOLQIVWXZMBPGF-UHFFFAOYSA-N 1 0 209.377 3.903 10 0 BHAERO CCc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000020552990 171803971 /nfs/dbraw/zinc/80/39/71/171803971.db2.gz PBPVLFRQYMWYQW-UHFFFAOYSA-N 1 0 231.383 3.917 10 0 BHAERO CCCCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000020553900 168917759 /nfs/dbraw/zinc/91/77/59/168917759.db2.gz QWHYZFXGTJFFAK-UHFFFAOYSA-N 1 0 235.371 3.754 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020559012 384128134 /nfs/dbraw/zinc/12/81/34/384128134.db2.gz GTEJNAZTJRGLRL-UKRRQHHQSA-N 1 0 247.382 3.925 10 0 BHAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020559014 342768844 /nfs/dbraw/zinc/76/88/44/342768844.db2.gz GTEJNAZTJRGLRL-DZGCQCFKSA-N 1 0 247.382 3.925 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000020559016 384126505 /nfs/dbraw/zinc/12/65/05/384126505.db2.gz GTEJNAZTJRGLRL-HIFRSBDPSA-N 1 0 247.382 3.925 10 0 BHAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000020559018 342768808 /nfs/dbraw/zinc/76/88/08/342768808.db2.gz GTEJNAZTJRGLRL-ZFWWWQNUSA-N 1 0 247.382 3.925 10 0 BHAERO CCCCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020559030 590121686 /nfs/dbraw/zinc/12/16/86/590121686.db2.gz VUOGXHDQECBFGR-CQSZACIVSA-N 1 0 219.372 3.788 10 0 BHAERO CCCCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000020559032 590121284 /nfs/dbraw/zinc/12/12/84/590121284.db2.gz VUOGXHDQECBFGR-AWEZNQCLSA-N 1 0 219.372 3.788 10 0 BHAERO C[NH+](C)C1(CN)CCCCCCCCCCC1 ZINC000020559268 172401250 /nfs/dbraw/zinc/40/12/50/172401250.db2.gz RLEBZFNCXDVFNX-UHFFFAOYSA-N 1 0 240.435 3.550 10 0 BHAERO C=COCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000020559732 188108417 /nfs/dbraw/zinc/10/84/17/188108417.db2.gz YJGXPILOKLGOJP-UHFFFAOYSA-N 1 0 247.382 3.624 10 0 BHAERO CCC(C)(C)c1ccc(O[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000020566089 168305084 /nfs/dbraw/zinc/30/50/84/168305084.db2.gz NFYVJLLIFBJVIQ-LSDHHAIUSA-N 1 0 247.382 3.633 10 0 BHAERO CCC(C)(C)c1ccc(O[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000020566090 168306158 /nfs/dbraw/zinc/30/61/58/168306158.db2.gz NFYVJLLIFBJVIQ-GJZGRUSLSA-N 1 0 247.382 3.633 10 0 BHAERO CCC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000020566091 168305019 /nfs/dbraw/zinc/30/50/19/168305019.db2.gz NFYVJLLIFBJVIQ-HUUCEWRRSA-N 1 0 247.382 3.633 10 0 BHAERO CCC(C)(C)c1ccc(O[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000020566092 168305260 /nfs/dbraw/zinc/30/52/60/168305260.db2.gz NFYVJLLIFBJVIQ-CABCVRRESA-N 1 0 247.382 3.633 10 0 BHAERO CCC[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000020566955 169359842 /nfs/dbraw/zinc/35/98/42/169359842.db2.gz ATPIDEOLMWSTLL-CYBMUJFWSA-N 1 0 205.345 3.521 10 0 BHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C)c(C)c1 ZINC000020567296 169393222 /nfs/dbraw/zinc/39/32/22/169393222.db2.gz KDYUHFOVDHYHKO-HUUCEWRRSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc(C)c(C)c1 ZINC000020567298 169504565 /nfs/dbraw/zinc/50/45/65/169504565.db2.gz KDYUHFOVDHYHKO-LSDHHAIUSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C)c(C)c1 ZINC000020567299 169392690 /nfs/dbraw/zinc/39/26/90/169392690.db2.gz KDYUHFOVDHYHKO-CABCVRRESA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(C)c(C)c1 ZINC000020567301 169504802 /nfs/dbraw/zinc/50/48/02/169504802.db2.gz KDYUHFOVDHYHKO-GJZGRUSLSA-N 1 0 235.371 3.588 10 0 BHAERO CCCC[NH2+][C@@H](C)c1ccc(OCC)c(F)c1 ZINC000020583109 384624494 /nfs/dbraw/zinc/62/44/94/384624494.db2.gz VIKURNGMCVMXHM-NSHDSACASA-N 1 0 239.334 3.675 10 0 BHAERO CCCC[NH2+][C@H](C)c1ccc(OCC)c(F)c1 ZINC000020583113 384624410 /nfs/dbraw/zinc/62/44/10/384624410.db2.gz VIKURNGMCVMXHM-LLVKDONJSA-N 1 0 239.334 3.675 10 0 BHAERO Nc1c[nH+]ccc1Nc1cccc2ccccc21 ZINC000020584693 363208219 /nfs/dbraw/zinc/20/82/19/363208219.db2.gz MYIGOVJORBYDTQ-UHFFFAOYSA-N 1 0 235.290 3.561 10 0 BHAERO CC(C)c1ccc(Nc2cc[nH+]cc2N)cc1 ZINC000020585302 363207874 /nfs/dbraw/zinc/20/78/74/363207874.db2.gz FDQWFWWNAMEVAS-UHFFFAOYSA-N 1 0 227.311 3.531 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587290 179187029 /nfs/dbraw/zinc/18/70/29/179187029.db2.gz JALRYHGPQVRXOA-MRXNPFEDSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587292 179200972 /nfs/dbraw/zinc/20/09/72/179200972.db2.gz JALRYHGPQVRXOA-INIZCTEOSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000020592702 179324868 /nfs/dbraw/zinc/32/48/68/179324868.db2.gz VCIWEXWCIOPOOV-MRXNPFEDSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020592703 179343656 /nfs/dbraw/zinc/34/36/56/179343656.db2.gz VCIWEXWCIOPOOV-INIZCTEOSA-N 1 0 237.302 3.789 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020595303 169275882 /nfs/dbraw/zinc/27/58/82/169275882.db2.gz KAICLFMWVVNLKC-NSHDSACASA-N 1 0 239.334 3.674 10 0 BHAERO CCC[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020595305 169287372 /nfs/dbraw/zinc/28/73/72/169287372.db2.gz KAICLFMWVVNLKC-LLVKDONJSA-N 1 0 239.334 3.674 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596131 169393735 /nfs/dbraw/zinc/39/37/35/169393735.db2.gz CDZVPLFLOHIQFD-CQSZACIVSA-N 1 0 229.323 3.648 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596133 170779152 /nfs/dbraw/zinc/77/91/52/170779152.db2.gz VGCLHQYDKCEHQW-BDJLRTHQSA-N 1 0 243.350 3.894 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596134 171372663 /nfs/dbraw/zinc/37/26/63/171372663.db2.gz VGCLHQYDKCEHQW-MEDUHNTESA-N 1 0 243.350 3.894 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596135 170796679 /nfs/dbraw/zinc/79/66/79/170796679.db2.gz VGCLHQYDKCEHQW-BZNIZROVSA-N 1 0 243.350 3.894 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596136 171396455 /nfs/dbraw/zinc/39/64/55/171396455.db2.gz VGCLHQYDKCEHQW-ZBEGNZNMSA-N 1 0 243.350 3.894 10 0 BHAERO CCC[C@@H](C)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000021010177 169360335 /nfs/dbraw/zinc/36/03/35/169360335.db2.gz PYFNXTGHXPEOKJ-CYBMUJFWSA-N 1 0 244.382 3.736 10 0 BHAERO CC(C)c1ccccc1O[C@H]1CCCCC[C@@H]1[NH3+] ZINC000021010395 167645211 /nfs/dbraw/zinc/64/52/11/167645211.db2.gz HZQQPHKOFSCDPD-HOCLYGCPSA-N 1 0 247.382 3.849 10 0 BHAERO CCC(CC)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021011307 538933772 /nfs/dbraw/zinc/93/37/72/538933772.db2.gz FMZZYKKSMRFNPH-YPMHNXCESA-N 1 0 211.393 3.979 10 0 BHAERO CCC(CC)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021011308 538933543 /nfs/dbraw/zinc/93/35/43/538933543.db2.gz FMZZYKKSMRFNPH-WCQYABFASA-N 1 0 211.393 3.979 10 0 BHAERO CCC(CC)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021011310 538933853 /nfs/dbraw/zinc/93/38/53/538933853.db2.gz FMZZYKKSMRFNPH-AAEUAGOBSA-N 1 0 211.393 3.979 10 0 BHAERO CC(C)(C)[C@H]([NH3+])COc1cccc2ccccc21 ZINC000021012077 188463553 /nfs/dbraw/zinc/46/35/53/188463553.db2.gz CLMTVQRNSBPWPG-OAHLLOKOSA-N 1 0 243.350 3.592 10 0 BHAERO CC(C)(C)c1ccc(O[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000021012290 187592363 /nfs/dbraw/zinc/59/23/63/187592363.db2.gz MEEAFMNYBZXJPW-GJZGRUSLSA-N 1 0 247.382 3.633 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000021013037 168970412 /nfs/dbraw/zinc/97/04/12/168970412.db2.gz NUZHBLQITIOKSA-OAHLLOKOSA-N 1 0 217.356 3.755 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000021013038 169008422 /nfs/dbraw/zinc/00/84/22/169008422.db2.gz NUZHBLQITIOKSA-HNNXBMFYSA-N 1 0 217.356 3.755 10 0 BHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000021013208 386205068 /nfs/dbraw/zinc/20/50/68/386205068.db2.gz PARTVOZWLKMYCS-CYBMUJFWSA-N 1 0 219.372 3.944 10 0 BHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000021013209 386205744 /nfs/dbraw/zinc/20/57/44/386205744.db2.gz PARTVOZWLKMYCS-ZDUSSCGKSA-N 1 0 219.372 3.944 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000021019636 169359959 /nfs/dbraw/zinc/35/99/59/169359959.db2.gz DOWRDMPXQXQIIM-OLZOCXBDSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000021019639 169482948 /nfs/dbraw/zinc/48/29/48/169482948.db2.gz DOWRDMPXQXQIIM-STQMWFEESA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ccccc1OC ZINC000021019642 169361160 /nfs/dbraw/zinc/36/11/60/169361160.db2.gz DOWRDMPXQXQIIM-CHWSQXEVSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@H](C)C[NH2+][C@H](C)c1ccccc1OC ZINC000021019646 386207265 /nfs/dbraw/zinc/20/72/65/386207265.db2.gz DOWRDMPXQXQIIM-QWHCGFSZSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021022024 169360056 /nfs/dbraw/zinc/36/00/56/169360056.db2.gz YNOIHQCREPQPLA-NEPJUHHUSA-N 1 0 223.335 3.913 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000021022039 169360664 /nfs/dbraw/zinc/36/06/64/169360664.db2.gz YNOIHQCREPQPLA-VXGBXAGGSA-N 1 0 223.335 3.913 10 0 BHAERO CC[C@H](C)c1ccccc1OC[C@@H]([NH3+])C(C)(C)C ZINC000021030198 171412015 /nfs/dbraw/zinc/41/20/15/171412015.db2.gz NCDYQBYRRJQMIY-SWLSCSKDSA-N 1 0 249.398 3.952 10 0 BHAERO Cc1ccc(C)c(O[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021040720 178490940 /nfs/dbraw/zinc/49/09/40/178490940.db2.gz VJLBKDVKLVOSOD-HUUCEWRRSA-N 1 0 247.382 3.732 10 0 BHAERO Cc1ccc(C)c(O[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021040727 178491436 /nfs/dbraw/zinc/49/14/36/178491436.db2.gz VJLBKDVKLVOSOD-CABCVRRESA-N 1 0 247.382 3.732 10 0 BHAERO Cc1cc(C)cc(O[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000021043691 177913688 /nfs/dbraw/zinc/91/36/88/177913688.db2.gz QRXVEAMYISVFMQ-HOTGVXAUSA-N 1 0 247.382 3.732 10 0 BHAERO Cc1cc(C)cc(O[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021043701 177913973 /nfs/dbraw/zinc/91/39/73/177913973.db2.gz QRXVEAMYISVFMQ-CVEARBPZSA-N 1 0 247.382 3.732 10 0 BHAERO CCC(CC)C[NH2+]CCCN(C)c1ccccc1 ZINC000021048334 168360050 /nfs/dbraw/zinc/36/00/50/168360050.db2.gz HHAYEJZMJFJNNN-UHFFFAOYSA-N 1 0 248.414 3.539 10 0 BHAERO CCC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021054358 169359848 /nfs/dbraw/zinc/35/98/48/169359848.db2.gz YKCBRYUAKUZLJF-GFCCVEGCSA-N 1 0 239.790 3.908 10 0 BHAERO Cc1cc(OC[C@@H]2CCCC[NH2+]2)ccc1C(C)C ZINC000021055761 178211977 /nfs/dbraw/zinc/21/19/77/178211977.db2.gz BUTOJFWARPZOSR-AWEZNQCLSA-N 1 0 247.382 3.639 10 0 BHAERO Cc1cc(OC[C@H]2CCCC[NH2+]2)ccc1C(C)C ZINC000021055765 178212300 /nfs/dbraw/zinc/21/23/00/178212300.db2.gz BUTOJFWARPZOSR-CQSZACIVSA-N 1 0 247.382 3.639 10 0 BHAERO C[C@H]([NH3+])CCc1ccc(OC2CCCCC2)cc1 ZINC000021501450 176759912 /nfs/dbraw/zinc/75/99/12/176759912.db2.gz VHBYMZONTPLKEK-ZDUSSCGKSA-N 1 0 247.382 3.678 10 0 BHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC000021502913 169393004 /nfs/dbraw/zinc/39/30/04/169393004.db2.gz UFDOCSVFBVOHOB-HUUCEWRRSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC000021502915 169504775 /nfs/dbraw/zinc/50/47/75/169504775.db2.gz UFDOCSVFBVOHOB-LSDHHAIUSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1cc(C)cc(C)c1 ZINC000021502917 169393358 /nfs/dbraw/zinc/39/33/58/169393358.db2.gz UFDOCSVFBVOHOB-CABCVRRESA-N 1 0 235.371 3.588 10 0 BHAERO Cc1cc(O[C@@H]2CCCC[C@@H]2[NH3+])ccc1C(C)C ZINC000021504223 178213375 /nfs/dbraw/zinc/21/33/75/178213375.db2.gz FZENGKXIHKUVJM-JKSUJKDBSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@H]2CCCC[C@@H]2[NH3+])ccc1C(C)C ZINC000021504225 178214007 /nfs/dbraw/zinc/21/40/07/178214007.db2.gz FZENGKXIHKUVJM-HOTGVXAUSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@@H]2CCCC[C@H]2[NH3+])ccc1C(C)C ZINC000021504227 178213302 /nfs/dbraw/zinc/21/33/02/178213302.db2.gz FZENGKXIHKUVJM-HZPDHXFCSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@H]2CCCC[C@H]2[NH3+])ccc1C(C)C ZINC000021504229 178214022 /nfs/dbraw/zinc/21/40/22/178214022.db2.gz FZENGKXIHKUVJM-CVEARBPZSA-N 1 0 247.382 3.767 10 0 BHAERO CCC[NH+](CCC)[C@@H](C)[C@@H](N)c1ccc(C)cc1 ZINC000021506523 169150121 /nfs/dbraw/zinc/15/01/21/169150121.db2.gz IIYWKNHZAOPHKW-GOEBONIOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](C)[C@@H](N)c1ccc(C)cc1 ZINC000021506524 169152126 /nfs/dbraw/zinc/15/21/26/169152126.db2.gz IIYWKNHZAOPHKW-GDBMZVCRSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000021506526 169150554 /nfs/dbraw/zinc/15/05/54/169150554.db2.gz IIYWKNHZAOPHKW-HOCLYGCPSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000021506528 169152886 /nfs/dbraw/zinc/15/28/86/169152886.db2.gz IIYWKNHZAOPHKW-ZBFHGGJFSA-N 1 0 248.414 3.505 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CO[C@@H](C)CC(C)C)c(C)c1 ZINC000021507166 178859403 /nfs/dbraw/zinc/85/94/03/178859403.db2.gz QJNDCSVTACULTI-HOCLYGCPSA-N 1 0 249.398 3.754 10 0 BHAERO C=COCCC[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000021508565 187253836 /nfs/dbraw/zinc/25/38/36/187253836.db2.gz BEONOBJIQXGQRJ-CQSZACIVSA-N 1 0 247.382 3.840 10 0 BHAERO C=COCCC[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000021508567 188463420 /nfs/dbraw/zinc/46/34/20/188463420.db2.gz BEONOBJIQXGQRJ-AWEZNQCLSA-N 1 0 247.382 3.840 10 0 BHAERO CCC[C@@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021514275 169359192 /nfs/dbraw/zinc/35/91/92/169359192.db2.gz ZWSCHMZHMRILFC-DYCFOQDWSA-N 1 0 235.415 3.981 10 0 BHAERO CCC[C@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021514276 169481173 /nfs/dbraw/zinc/48/11/73/169481173.db2.gz ZWSCHMZHMRILFC-AXQFOSQISA-N 1 0 235.415 3.981 10 0 BHAERO c1ccc2c(c1)CC[C@H]2[NH2+]CC1CCCCC1 ZINC000021514551 323099588 /nfs/dbraw/zinc/09/95/88/323099588.db2.gz FXJUGRKIHLLQAK-MRXNPFEDSA-N 1 0 229.367 3.844 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCCCC1 ZINC000021514553 323099585 /nfs/dbraw/zinc/09/95/85/323099585.db2.gz FXJUGRKIHLLQAK-INIZCTEOSA-N 1 0 229.367 3.844 10 0 BHAERO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000021517696 171811470 /nfs/dbraw/zinc/81/14/70/171811470.db2.gz KCDPLMUARKZBSC-CJNGLKHVSA-N 1 0 231.383 3.917 10 0 BHAERO Cc1cccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])c1C ZINC000021518806 179175028 /nfs/dbraw/zinc/17/50/28/179175028.db2.gz IRWLTMZEJIOWEJ-GOEBONIOSA-N 1 0 247.382 3.732 10 0 BHAERO Cc1cccc(O[C@H]2CCCCCC[C@@H]2[NH3+])c1C ZINC000021518807 179174321 /nfs/dbraw/zinc/17/43/21/179174321.db2.gz IRWLTMZEJIOWEJ-HOCLYGCPSA-N 1 0 247.382 3.732 10 0 BHAERO Cc1cccc(O[C@@H]2CCCCCC[C@H]2[NH3+])c1C ZINC000021518808 179175360 /nfs/dbraw/zinc/17/53/60/179175360.db2.gz IRWLTMZEJIOWEJ-GDBMZVCRSA-N 1 0 247.382 3.732 10 0 BHAERO Cc1cccc(O[C@H]2CCCCCC[C@H]2[NH3+])c1C ZINC000021518809 179174753 /nfs/dbraw/zinc/17/47/53/179174753.db2.gz IRWLTMZEJIOWEJ-ZBFHGGJFSA-N 1 0 247.382 3.732 10 0 BHAERO CCCC[C@H](CC)C[NH2+]Cc1ccccc1 ZINC000021518842 168998588 /nfs/dbraw/zinc/99/85/88/168998588.db2.gz YVUAGSOPUFGKGF-AWEZNQCLSA-N 1 0 219.372 3.993 10 0 BHAERO CCC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC000021788779 169358980 /nfs/dbraw/zinc/35/89/80/169358980.db2.gz RMABUNVBAQSFLD-CYBMUJFWSA-N 1 0 209.377 3.903 10 0 BHAERO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCCCCC1 ZINC000021791587 323100830 /nfs/dbraw/zinc/10/08/30/323100830.db2.gz NELMUIFZZWRJAX-MRXNPFEDSA-N 1 0 229.367 3.986 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCCCC1 ZINC000021791590 323100854 /nfs/dbraw/zinc/10/08/54/323100854.db2.gz NELMUIFZZWRJAX-INIZCTEOSA-N 1 0 229.367 3.986 10 0 BHAERO CCc1cccc(O[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000021796098 171866821 /nfs/dbraw/zinc/86/68/21/171866821.db2.gz KPRDOLIUJBRZRD-HOTGVXAUSA-N 1 0 247.382 3.678 10 0 BHAERO CCc1cccc(O[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021796101 171866636 /nfs/dbraw/zinc/86/66/36/171866636.db2.gz KPRDOLIUJBRZRD-HZPDHXFCSA-N 1 0 247.382 3.678 10 0 BHAERO CCc1cccc(O[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021796105 171866801 /nfs/dbraw/zinc/86/68/01/171866801.db2.gz KPRDOLIUJBRZRD-CVEARBPZSA-N 1 0 247.382 3.678 10 0 BHAERO Cc1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])c(C)c1 ZINC000021802466 178818667 /nfs/dbraw/zinc/81/86/67/178818667.db2.gz CGJPJFXJTQRKSN-ZBFHGGJFSA-N 1 0 247.382 3.732 10 0 BHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C)cc1C ZINC000021805777 169393156 /nfs/dbraw/zinc/39/31/56/169393156.db2.gz BUWUUNQZGJIXAU-ZIAGYGMSSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C)cc1C ZINC000021805782 169393235 /nfs/dbraw/zinc/39/32/35/169393235.db2.gz BUWUUNQZGJIXAU-KGLIPLIRSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(C)cc1C ZINC000021805785 169504361 /nfs/dbraw/zinc/50/43/61/169504361.db2.gz BUWUUNQZGJIXAU-KBPBESRZSA-N 1 0 235.371 3.588 10 0 BHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1cccc(CC)c1 ZINC000021806764 169392764 /nfs/dbraw/zinc/39/27/64/169392764.db2.gz SHNYJKOLXYAEJW-HUUCEWRRSA-N 1 0 235.371 3.534 10 0 BHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1cccc(CC)c1 ZINC000021806769 169393157 /nfs/dbraw/zinc/39/31/57/169393157.db2.gz SHNYJKOLXYAEJW-CABCVRRESA-N 1 0 235.371 3.534 10 0 BHAERO CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000021811504 169022440 /nfs/dbraw/zinc/02/24/40/169022440.db2.gz BCEBDJOWFDFXRK-UONOGXRCSA-N 1 0 249.398 3.715 10 0 BHAERO CCCCc1ccc([C@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000021811506 169023308 /nfs/dbraw/zinc/02/33/08/169023308.db2.gz BCEBDJOWFDFXRK-KBPBESRZSA-N 1 0 249.398 3.715 10 0 BHAERO CCOc1ccccc1C[NH2+][C@H](C)CCC(C)C ZINC000021811734 170592387 /nfs/dbraw/zinc/59/23/87/170592387.db2.gz OUXPBRORQZKDCZ-CQSZACIVSA-N 1 0 249.398 4.000 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000021812216 176080459 /nfs/dbraw/zinc/08/04/59/176080459.db2.gz SBOBDQVTKREYLD-ZBFHGGJFSA-N 1 0 231.383 3.788 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000021812217 177082928 /nfs/dbraw/zinc/08/29/28/177082928.db2.gz SBOBDQVTKREYLD-HOCLYGCPSA-N 1 0 231.383 3.788 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000021812218 176088270 /nfs/dbraw/zinc/08/82/70/176088270.db2.gz SBOBDQVTKREYLD-GDBMZVCRSA-N 1 0 231.383 3.788 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000021812219 177088381 /nfs/dbraw/zinc/08/83/81/177088381.db2.gz SBOBDQVTKREYLD-GOEBONIOSA-N 1 0 231.383 3.788 10 0 BHAERO CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021813107 167222651 /nfs/dbraw/zinc/22/26/51/167222651.db2.gz KWZHMUANPKVDEB-ZIAGYGMSSA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)OCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021813108 167224086 /nfs/dbraw/zinc/22/40/86/167224086.db2.gz KWZHMUANPKVDEB-UONOGXRCSA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)OCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021813109 167224867 /nfs/dbraw/zinc/22/48/67/167224867.db2.gz KWZHMUANPKVDEB-KGLIPLIRSA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)OCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021813110 167225282 /nfs/dbraw/zinc/22/52/82/167225282.db2.gz KWZHMUANPKVDEB-KBPBESRZSA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)(C)c1ccccc1OC[C@H]([NH3+])C(C)(C)C ZINC000021815217 187253675 /nfs/dbraw/zinc/25/36/75/187253675.db2.gz LVMMQOVQLYPBOB-AWEZNQCLSA-N 1 0 249.398 3.736 10 0 BHAERO Cc1ccc(C(C)C)c(O[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000021816873 178452616 /nfs/dbraw/zinc/45/26/16/178452616.db2.gz SHYKBOMTZPENNV-LSDHHAIUSA-N 1 0 247.382 3.767 10 0 BHAERO CCC(CC)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021816952 168360488 /nfs/dbraw/zinc/36/04/88/168360488.db2.gz FGGAHSUAOLTMQF-UHFFFAOYSA-N 1 0 235.415 3.981 10 0 BHAERO Cc1cc(OC[C@@H]([NH3+])C(C)(C)C)ccc1C(C)C ZINC000021819180 178212331 /nfs/dbraw/zinc/21/23/31/178212331.db2.gz CWTXCOXVSLQQQR-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO Cc1cc(OC[C@H]([NH3+])C(C)(C)C)ccc1C(C)C ZINC000021819182 178212107 /nfs/dbraw/zinc/21/21/07/178212107.db2.gz CWTXCOXVSLQQQR-HNNXBMFYSA-N 1 0 249.398 3.871 10 0 BHAERO CC(C)c1cccc(OC[C@H]([NH3+])C(C)(C)C)c1 ZINC000021819714 167634103 /nfs/dbraw/zinc/63/41/03/167634103.db2.gz SICIUOFTRQMHKO-AWEZNQCLSA-N 1 0 235.371 3.562 10 0 BHAERO CC(C)c1ccc(OC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000021819924 167608974 /nfs/dbraw/zinc/60/89/74/167608974.db2.gz ZREUIJZROHMFMI-CQSZACIVSA-N 1 0 235.371 3.562 10 0 BHAERO C[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021954634 173449480 /nfs/dbraw/zinc/44/94/80/173449480.db2.gz CJSIJQRZUIMAML-LLVKDONJSA-N 1 0 223.319 3.538 10 0 BHAERO C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000022051348 384728122 /nfs/dbraw/zinc/72/81/22/384728122.db2.gz GKEMNSXFQMKPAE-ZDUSSCGKSA-N 1 0 241.334 3.546 10 0 in-vitro BHAERO C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000022051352 173449431 /nfs/dbraw/zinc/44/94/31/173449431.db2.gz GKEMNSXFQMKPAE-CYBMUJFWSA-N 1 0 241.334 3.546 10 0 in-vitro BHAERO CCC[N@H+]1CC=C(c2cccc(SC)c2)CC1 ZINC000022063694 169185385 /nfs/dbraw/zinc/18/53/85/169185385.db2.gz AUEVPUKHNGEVFZ-UHFFFAOYSA-N 1 0 247.407 3.908 10 0 in-vitro BHAERO [NH3+][C@@H]1CCCC[C@H]1CCCc1ccccc1 ZINC000022130013 343140165 /nfs/dbraw/zinc/14/01/65/343140165.db2.gz MFTNNIIHOWFHQF-LSDHHAIUSA-N 1 0 217.356 3.527 10 0 BHAERO COc1ccc2cc(C[NH2+]C(C)(C)C)ccc2c1 ZINC000022143068 175224679 /nfs/dbraw/zinc/22/46/79/175224679.db2.gz VXHMQEMXKAUSOR-UHFFFAOYSA-N 1 0 243.350 3.737 10 0 BHAERO Cc1ccc([C@H]([NH3+])CCC(C)C)c(C)c1 ZINC000022147126 351047999 /nfs/dbraw/zinc/04/79/99/351047999.db2.gz BTLSPRSJJADTNX-CQSZACIVSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCC(C)C)c(C)c1 ZINC000022147131 343911969 /nfs/dbraw/zinc/91/19/69/343911969.db2.gz BTLSPRSJJADTNX-AWEZNQCLSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1ccc(O[C@@H]2CCCCCC[C@H]2[NH3+])cc1C ZINC000022147353 178818214 /nfs/dbraw/zinc/81/82/14/178818214.db2.gz PKKYOJHEFQSWDU-HZPDHXFCSA-N 1 0 247.382 3.732 10 0 BHAERO CC(C)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000022150446 167146466 /nfs/dbraw/zinc/14/64/66/167146466.db2.gz NKUXHWMJYFUUTJ-UHFFFAOYSA-N 1 0 231.343 3.681 10 0 BHAERO c1ccc(CCC[NH2+]CC2CCCCC2)cc1 ZINC000022152940 183391342 /nfs/dbraw/zinc/39/13/42/183391342.db2.gz CMFNAOBAWRSAST-UHFFFAOYSA-N 1 0 231.383 3.789 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC000022153730 590342886 /nfs/dbraw/zinc/34/28/86/590342886.db2.gz DMFVTLNDCLDGHT-IIAWOOMASA-N 1 0 231.383 3.643 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC000022153737 590342825 /nfs/dbraw/zinc/34/28/25/590342825.db2.gz DMFVTLNDCLDGHT-FMKPAKJESA-N 1 0 231.383 3.643 10 0 BHAERO Cc1ccc(COc2cccc([C@@H](C)[NH3+])c2)cc1 ZINC000022162174 343042817 /nfs/dbraw/zinc/04/28/17/343042817.db2.gz KYRUZTMYJLIQMJ-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1ccc(COc2cccc([C@H](C)[NH3+])c2)cc1 ZINC000022162178 343042717 /nfs/dbraw/zinc/04/27/17/343042717.db2.gz KYRUZTMYJLIQMJ-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1ccccc1COc1cccc([C@@H](C)[NH3+])c1 ZINC000022174576 179287047 /nfs/dbraw/zinc/28/70/47/179287047.db2.gz WCCHEKYGASCDGH-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1ccccc1COc1cccc([C@H](C)[NH3+])c1 ZINC000022174579 179287717 /nfs/dbraw/zinc/28/77/17/179287717.db2.gz WCCHEKYGASCDGH-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1ccccc1COc1ccccc1[C@@H](C)[NH3+] ZINC000022175552 179287462 /nfs/dbraw/zinc/28/74/62/179287462.db2.gz CPORAVUDQAJWNT-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1ccccc1COc1ccccc1[C@H](C)[NH3+] ZINC000022175555 179286882 /nfs/dbraw/zinc/28/68/82/179286882.db2.gz CPORAVUDQAJWNT-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cccc(COc2ccccc2[C@@H](C)[NH3+])c1 ZINC000022220516 188109107 /nfs/dbraw/zinc/10/91/07/188109107.db2.gz XAWKEXIBJFERAN-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cccc(COc2cccc([C@@H](C)[NH3+])c2)c1 ZINC000022223801 188109625 /nfs/dbraw/zinc/10/96/25/188109625.db2.gz BHHUPTSFIWAKDU-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cccc(COc2cccc([C@H](C)[NH3+])c2)c1 ZINC000022223803 384748506 /nfs/dbraw/zinc/74/85/06/384748506.db2.gz BHHUPTSFIWAKDU-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO C[NH2+]Cc1cccc2c3ccccc3sc21 ZINC000022865266 187320377 /nfs/dbraw/zinc/32/03/77/187320377.db2.gz IESKZEFVLOMJEJ-UHFFFAOYSA-N 1 0 227.332 3.774 10 0 BHAERO CC(C)CC[N@@H+]1CCC[C@@H](c2cccc(O)c2)C1 ZINC000025982282 384509509 /nfs/dbraw/zinc/50/95/09/384509509.db2.gz LCOOQHLLCYOFMH-OAHLLOKOSA-N 1 0 247.382 3.618 10 0 BHAERO CC(C)CC[N@@H+]1CCC[C@H](c2cccc(O)c2)C1 ZINC000025982289 384509154 /nfs/dbraw/zinc/50/91/54/384509154.db2.gz LCOOQHLLCYOFMH-HNNXBMFYSA-N 1 0 247.382 3.618 10 0 BHAERO CC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026012251 171218602 /nfs/dbraw/zinc/21/86/02/171218602.db2.gz PWOMGUJYIACTOZ-DLBZAZTESA-N 1 0 235.330 3.541 10 0 BHAERO CCC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026015870 384511197 /nfs/dbraw/zinc/51/11/97/384511197.db2.gz FYZYJIPHMYDLKT-ZWKOTPCHSA-N 1 0 249.357 3.931 10 0 BHAERO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000026029207 343141052 /nfs/dbraw/zinc/14/10/52/343141052.db2.gz DVWYTXULDUSWQH-CABCVRRESA-N 1 0 239.362 3.968 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1)c1ccccc1 ZINC000026029215 343140973 /nfs/dbraw/zinc/14/09/73/343140973.db2.gz DVWYTXULDUSWQH-LSDHHAIUSA-N 1 0 239.362 3.968 10 0 BHAERO C[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000026029222 176724159 /nfs/dbraw/zinc/72/41/59/176724159.db2.gz DVWYTXULDUSWQH-HUUCEWRRSA-N 1 0 239.362 3.968 10 0 BHAERO [NH3+][C@@H]1c2ccccc2CCC12CCCCC2 ZINC000026145402 384541882 /nfs/dbraw/zinc/54/18/82/384541882.db2.gz HZNPPKSUDHWOFF-CQSZACIVSA-N 1 0 215.340 3.583 10 0 BHAERO [NH3+][C@H]1c2ccccc2CCC12CCCCC2 ZINC000026145411 181661869 /nfs/dbraw/zinc/66/18/69/181661869.db2.gz HZNPPKSUDHWOFF-AWEZNQCLSA-N 1 0 215.340 3.583 10 0 BHAERO C[NH2+][C@@]1(C)c2ccccc2CCC12CCCC2 ZINC000026146817 384543545 /nfs/dbraw/zinc/54/35/45/384543545.db2.gz BEQBMDDGNUFTEO-HNNXBMFYSA-N 1 0 229.367 3.628 10 0 BHAERO C[NH2+][C@]1(C)c2ccccc2CCC12CCCC2 ZINC000026146826 173470526 /nfs/dbraw/zinc/47/05/26/173470526.db2.gz BEQBMDDGNUFTEO-OAHLLOKOSA-N 1 0 229.367 3.628 10 0 BHAERO C[NH2+][C@@]12CCCC[C@@H]1CC(C)(C)c1ccccc12 ZINC000026147456 384543376 /nfs/dbraw/zinc/54/33/76/384543376.db2.gz YTKCGNXANRDIGC-DYVFJYSZSA-N 1 0 243.394 3.973 10 0 BHAERO CC1(C)C[C@H]2CCCC[C@@]2([NH3+])c2ccccc21 ZINC000026147490 344126847 /nfs/dbraw/zinc/12/68/47/344126847.db2.gz FOWWAUKLSZHEHK-WBMJQRKESA-N 1 0 229.367 3.712 10 0 BHAERO C[NH+](C)[C@@]12CCCC[C@@H]1CCc1ccccc12 ZINC000026153361 344128050 /nfs/dbraw/zinc/12/80/50/344128050.db2.gz CRRGPBAEOBRTMN-ZBFHGGJFSA-N 1 0 229.367 3.580 10 0 BHAERO C[C@@H]1C[C@@H]2CCCC[C@@]2([NH3+])c2ccccc21 ZINC000026153869 384546298 /nfs/dbraw/zinc/54/62/98/384546298.db2.gz JRUKCOBJHNDAFH-XUJVJEKNSA-N 1 0 215.340 3.538 10 0 BHAERO C[C@@H]1C[C@H]2CCCC[C@@]2([NH3+])c2ccccc21 ZINC000026153881 384545365 /nfs/dbraw/zinc/54/53/65/384545365.db2.gz JRUKCOBJHNDAFH-JMSVASOKSA-N 1 0 215.340 3.538 10 0 BHAERO C[C@H]1C[C@H]2CCCC[C@@]2([NH3+])c2ccccc21 ZINC000026153888 177387302 /nfs/dbraw/zinc/38/73/02/177387302.db2.gz JRUKCOBJHNDAFH-ZOWXZIJZSA-N 1 0 215.340 3.538 10 0 BHAERO CCC[N@@H+]1CCC2=C(CCc3ccccc32)C1 ZINC000026170906 169192022 /nfs/dbraw/zinc/19/20/22/169192022.db2.gz QOZUIXJYJLLMJF-UHFFFAOYSA-N 1 0 227.351 3.502 10 0 BHAERO CCC[NH+](CCC)CCc1cccc2[nH]ccc21 ZINC000026260001 169147109 /nfs/dbraw/zinc/14/71/09/169147109.db2.gz AFRBPRLOPBAGCM-UHFFFAOYSA-N 1 0 244.382 3.832 10 0 BHAERO [NH3+][C@@H](CSc1ccccc1)c1cccs1 ZINC000026444092 188254305 /nfs/dbraw/zinc/25/43/05/188254305.db2.gz KWQABIZGQBOMDT-NSHDSACASA-N 1 0 235.377 3.540 10 0 BHAERO Cc1ccc2[nH]c(Nc3ccccc3)[nH+]c2c1 ZINC000026474241 353797427 /nfs/dbraw/zinc/79/74/27/353797427.db2.gz ZWFHVYLMPFPMKA-UHFFFAOYSA-N 1 0 223.279 3.615 10 0 BHAERO Cc1ccc2[nH]c(Nc3ccccc3C)[nH+]c2c1 ZINC000026474249 357144497 /nfs/dbraw/zinc/14/44/97/357144497.db2.gz DDHUOADHCNAVMM-UHFFFAOYSA-N 1 0 237.306 3.923 10 0 BHAERO Cc1ccc(Nc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000026474268 357145048 /nfs/dbraw/zinc/14/50/48/357145048.db2.gz JDCXPRVWBPDZRZ-UHFFFAOYSA-N 1 0 237.306 3.923 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)C1CCCCC1 ZINC000026513521 357163250 /nfs/dbraw/zinc/16/32/50/357163250.db2.gz SNLVVAOSPYRVMC-NSHDSACASA-N 1 0 229.776 3.982 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)C1CCCCC1 ZINC000026513523 357163150 /nfs/dbraw/zinc/16/31/50/357163150.db2.gz SNLVVAOSPYRVMC-LLVKDONJSA-N 1 0 229.776 3.982 10 0 BHAERO CCC[C@@H]([NH3+])c1csc2ccccc21 ZINC000026513698 357164875 /nfs/dbraw/zinc/16/48/75/357164875.db2.gz ZVSJORQGCCJRGA-LLVKDONJSA-N 1 0 205.326 3.701 10 0 BHAERO CCC[C@H]([NH3+])c1csc2ccccc21 ZINC000026513700 357164882 /nfs/dbraw/zinc/16/48/82/357164882.db2.gz ZVSJORQGCCJRGA-NSHDSACASA-N 1 0 205.326 3.701 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2CCCC2)c(C)s1 ZINC000026513865 178236516 /nfs/dbraw/zinc/23/65/16/178236516.db2.gz YMWRMAMKQYRHBE-LBPRGKRZSA-N 1 0 209.358 3.555 10 0 BHAERO Cc1cc([C@H]([NH3+])C2CCCC2)c(C)s1 ZINC000026513867 178262507 /nfs/dbraw/zinc/26/25/07/178262507.db2.gz YMWRMAMKQYRHBE-GFCCVEGCSA-N 1 0 209.358 3.555 10 0 BHAERO Cc1cc([C@@H]([NH3+])CC(C)(C)C)c(C)s1 ZINC000026513975 178236066 /nfs/dbraw/zinc/23/60/66/178236066.db2.gz QZMKKZZVLKITNT-NSHDSACASA-N 1 0 211.374 3.801 10 0 BHAERO Cc1cc([C@H]([NH3+])CC(C)(C)C)c(C)s1 ZINC000026513977 178262269 /nfs/dbraw/zinc/26/22/69/178262269.db2.gz QZMKKZZVLKITNT-LLVKDONJSA-N 1 0 211.374 3.801 10 0 BHAERO CC(C)Oc1ccc([C@@H]([NH3+])C(C)(C)C)cc1 ZINC000026514814 167299776 /nfs/dbraw/zinc/29/97/76/167299776.db2.gz CALTVVQFYKDONF-CYBMUJFWSA-N 1 0 221.344 3.520 10 0 BHAERO CC(C)Oc1ccc([C@H]([NH3+])C(C)(C)C)cc1 ZINC000026514816 167300909 /nfs/dbraw/zinc/30/09/09/167300909.db2.gz CALTVVQFYKDONF-ZDUSSCGKSA-N 1 0 221.344 3.520 10 0 BHAERO CCCCCn1cc(C[C@@H](C)[NH3+])c2ccccc21 ZINC000026664399 168751409 /nfs/dbraw/zinc/75/14/09/168751409.db2.gz VDFRLZYVYBOBOD-CYBMUJFWSA-N 1 0 244.382 3.721 10 0 BHAERO CCCCCn1cc(C[C@H](C)[NH3+])c2ccccc21 ZINC000026664404 343140608 /nfs/dbraw/zinc/14/06/08/343140608.db2.gz VDFRLZYVYBOBOD-ZDUSSCGKSA-N 1 0 244.382 3.721 10 0 BHAERO c1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000026666332 384744330 /nfs/dbraw/zinc/74/43/30/384744330.db2.gz KJHWRRVSXANANB-QZTJIDSGSA-N 1 0 249.357 3.969 10 0 BHAERO CCCCCc1cccc2c(C[C@@H](C)[NH3+])c[nH]c21 ZINC000026674649 344171606 /nfs/dbraw/zinc/17/16/06/344171606.db2.gz VKEQGSWLJCOTCX-GFCCVEGCSA-N 1 0 244.382 3.790 10 0 BHAERO CCCCCc1cccc2c(C[C@H](C)[NH3+])c[nH]c21 ZINC000026674652 344171933 /nfs/dbraw/zinc/17/19/33/344171933.db2.gz VKEQGSWLJCOTCX-LBPRGKRZSA-N 1 0 244.382 3.790 10 0 BHAERO Cc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026718261 179349002 /nfs/dbraw/zinc/34/90/02/179349002.db2.gz LQFDQTUPEHQXJH-UKRRQHHQSA-N 1 0 215.340 3.684 10 0 BHAERO Fc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000026725988 343108373 /nfs/dbraw/zinc/10/83/73/343108373.db2.gz PDMCTWSKGUWUCZ-ZIAGYGMSSA-N 1 0 219.303 3.515 10 0 BHAERO c1ccc([C@H]2CCC[C@H]3CCCC[N@H+]32)cc1 ZINC000026726810 183432660 /nfs/dbraw/zinc/43/26/60/183432660.db2.gz YEZPZIBMUGYTEZ-HUUCEWRRSA-N 1 0 215.340 3.766 10 0 BHAERO C1C[C@H](C2CCCCC2)[N@@H+]2CCCC[C@H]12 ZINC000026727243 343108297 /nfs/dbraw/zinc/10/82/97/343108297.db2.gz DLAKEKPGYVCCMO-ZIAGYGMSSA-N 1 0 207.361 3.584 10 0 BHAERO CCOc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026727988 170600104 /nfs/dbraw/zinc/60/01/04/170600104.db2.gz LWZQHZRPZIEDCI-UKRRQHHQSA-N 1 0 245.366 3.775 10 0 BHAERO Fc1cccc(F)c1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026729056 344183063 /nfs/dbraw/zinc/18/30/63/344183063.db2.gz QGJOTNTVUVNRQN-ZWNOBZJWSA-N 1 0 237.293 3.654 10 0 BHAERO C[N@H+]1CC=C(CCc2cccc(Cl)c2)CC1 ZINC000026839470 188283048 /nfs/dbraw/zinc/28/30/48/188283048.db2.gz ZDKXXSVUVFEDNA-UHFFFAOYSA-N 1 0 235.758 3.535 10 0 BHAERO CC[N@@H+]1CCCCC12C1CC3CC(C1)CC2C3 ZINC000026983841 344209452 /nfs/dbraw/zinc/20/94/52/344209452.db2.gz VGSYBTZEVZRMRB-UHFFFAOYSA-N 1 0 233.399 3.687 10 0 BHAERO C[NH2+]C1(C23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000026995427 173320818 /nfs/dbraw/zinc/32/08/18/173320818.db2.gz BUEUCQLVZZJBNF-UHFFFAOYSA-N 1 0 233.399 3.735 10 0 BHAERO CC[N@@H+]1CCC[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026995433 344209285 /nfs/dbraw/zinc/20/92/85/344209285.db2.gz ZOZSPXRFPOGNPG-IBHBGHMQSA-N 1 0 233.399 3.687 10 0 BHAERO CC[N@@H+]1CCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026995439 344209367 /nfs/dbraw/zinc/20/93/67/344209367.db2.gz ZOZSPXRFPOGNPG-DQGBIZLVSA-N 1 0 233.399 3.687 10 0 BHAERO CCCCCCc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000027301352 168682345 /nfs/dbraw/zinc/68/23/45/168682345.db2.gz VGQVQKHNKNUNQT-SJORKVTESA-N 1 0 243.394 3.670 10 0 BHAERO c1ccc([C@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000027323007 383923776 /nfs/dbraw/zinc/92/37/76/383923776.db2.gz KJHWRRVSXANANB-MSOLQXFVSA-N 1 0 249.357 3.969 10 0 BHAERO CC[N@@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000027716767 170024731 /nfs/dbraw/zinc/02/47/31/170024731.db2.gz LSNZMJWFCKUFCO-LBPRGKRZSA-N 1 0 249.785 3.638 10 0 BHAERO CC[N@@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000027716772 170024202 /nfs/dbraw/zinc/02/42/02/170024202.db2.gz LSNZMJWFCKUFCO-GFCCVEGCSA-N 1 0 249.785 3.638 10 0 BHAERO c1ccc2c(c1)sc1c2CC[N@H+]2CCCC[C@@H]12 ZINC000027724288 384176182 /nfs/dbraw/zinc/17/61/82/384176182.db2.gz IIJWWDRFLXTECC-ZDUSSCGKSA-N 1 0 243.375 3.984 10 0 BHAERO c1ccc2c(c1)sc1c2CC[N@H+]2CCCC[C@H]12 ZINC000027724295 384176429 /nfs/dbraw/zinc/17/64/29/384176429.db2.gz IIJWWDRFLXTECC-CYBMUJFWSA-N 1 0 243.375 3.984 10 0 BHAERO Clc1ccc2c(c1)[NH+]=C1CCCCCN1C2 ZINC000027842707 344309010 /nfs/dbraw/zinc/30/90/10/344309010.db2.gz JHFVYQMIQHRAQS-UHFFFAOYSA-N 1 0 234.730 3.760 10 0 BHAERO C[C@@H]1Cc2cccc(-c3ccccc3)c2C[N@@H+]1C ZINC000028101843 384932925 /nfs/dbraw/zinc/93/29/25/384932925.db2.gz BJNIQAHXSHOGCL-CYBMUJFWSA-N 1 0 237.346 3.730 10 0 BHAERO C[C@H]1Cc2cccc(-c3ccccc3)c2C[N@@H+]1C ZINC000028101849 177389985 /nfs/dbraw/zinc/38/99/85/177389985.db2.gz BJNIQAHXSHOGCL-ZDUSSCGKSA-N 1 0 237.346 3.730 10 0 BHAERO CCC[NH+](CCC)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000028108607 169149968 /nfs/dbraw/zinc/14/99/68/169149968.db2.gz CDBKSCIFVPNNTJ-JKSUJKDBSA-N 1 0 247.382 3.673 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(C(C)C)cc2)sn1 ZINC000028244323 178262971 /nfs/dbraw/zinc/26/29/71/178262971.db2.gz RAGOSRPGMOEHAT-CQSZACIVSA-N 1 0 246.379 3.623 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(C(C)C)cc2)sn1 ZINC000028244330 178237201 /nfs/dbraw/zinc/23/72/01/178237201.db2.gz RAGOSRPGMOEHAT-AWEZNQCLSA-N 1 0 246.379 3.623 10 0 BHAERO C/C=C/C[N@H+](C)Cc1cccc2ccccc21 ZINC000028248473 188283837 /nfs/dbraw/zinc/28/38/37/188283837.db2.gz UUJUDDDAMMVOSB-ONEGZZNKSA-N 1 0 225.335 3.848 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1[C@H](C)c1ccccc1 ZINC000028645419 169959861 /nfs/dbraw/zinc/95/98/61/169959861.db2.gz NLXMVFLZBJPVAD-UKRRQHHQSA-N 1 0 217.356 3.665 10 0 BHAERO C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCC[N@@H+]2C1 ZINC000028645464 177375181 /nfs/dbraw/zinc/37/51/81/177375181.db2.gz KVDDHSOWSOEYMM-NUEKZKHPSA-N 1 0 229.367 3.665 10 0 BHAERO C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCC[N@@H+]2C1 ZINC000028645468 384474929 /nfs/dbraw/zinc/47/49/29/384474929.db2.gz KVDDHSOWSOEYMM-FVQBIDKESA-N 1 0 229.367 3.665 10 0 BHAERO C[C@]12Cc3ccccc3C[C@](C)([NH2+]1)c1ccccc12 ZINC000028758007 344413473 /nfs/dbraw/zinc/41/34/73/344413473.db2.gz FWMSCHWIVHKSPA-HDICACEKSA-N 1 0 249.357 3.519 10 0 BHAERO CSc1cccc(C2([NH3+])CCCCC2)c1 ZINC000028966202 175579935 /nfs/dbraw/zinc/57/99/35/175579935.db2.gz VZESOVACQYYCLW-UHFFFAOYSA-N 1 0 221.369 3.527 10 0 BHAERO [NH3+]C1(c2ccccc2C(F)(F)F)CCCCC1 ZINC000028966213 181335748 /nfs/dbraw/zinc/33/57/48/181335748.db2.gz SDDXZGXNRYAMKX-UHFFFAOYSA-N 1 0 243.272 3.824 10 0 BHAERO [NH3+]C1(c2ccc3ccccc3c2)CCCCC1 ZINC000028966227 181334063 /nfs/dbraw/zinc/33/40/63/181334063.db2.gz QUHKXLGOFSMFFF-UHFFFAOYSA-N 1 0 225.335 3.958 10 0 BHAERO c1ccc(C2([NH+]3CCCCC3)CCCC2)cc1 ZINC000029218403 183387805 /nfs/dbraw/zinc/38/78/05/183387805.db2.gz KNZVHCGBSJFKIX-UHFFFAOYSA-N 1 0 229.367 3.942 10 0 BHAERO CCCC[N@@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC000029242369 385082796 /nfs/dbraw/zinc/08/27/96/385082796.db2.gz NTZQJXOKNWIOLU-HNNXBMFYSA-N 1 0 247.382 3.675 10 0 BHAERO [NH3+]C12CCC(C3CCCCC3)(CC1)CC2 ZINC000029329261 181337167 /nfs/dbraw/zinc/33/71/67/181337167.db2.gz SUPFZQKGRZTQOV-UHFFFAOYSA-N 1 0 207.361 3.618 10 0 BHAERO C[NH2+][C@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21 ZINC000029484376 383974825 /nfs/dbraw/zinc/97/48/25/383974825.db2.gz JVGDVUQOPGOQIW-HOTGVXAUSA-N 1 0 241.309 3.622 10 0 BHAERO C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)c2ccccc21 ZINC000029484382 383973751 /nfs/dbraw/zinc/97/37/51/383973751.db2.gz JVGDVUQOPGOQIW-CVEARBPZSA-N 1 0 241.309 3.622 10 0 BHAERO C[NH2+][C@]12CC=CC[C@@H]1C[C@@H](C)c1ccccc12 ZINC000029567661 383999503 /nfs/dbraw/zinc/99/95/03/383999503.db2.gz DYWTYZQHULDNCR-XJKCOSOUSA-N 1 0 227.351 3.575 10 0 BHAERO CC[NH2+][C@@]12CCCC[C@@H]1CCc1ccccc12 ZINC000029569751 170155770 /nfs/dbraw/zinc/15/57/70/170155770.db2.gz DGBRGNBZYYODJF-ZBFHGGJFSA-N 1 0 229.367 3.628 10 0 BHAERO CC(C)c1ccccc1C1=CC[N@H+](C)CC1 ZINC000029570384 344673631 /nfs/dbraw/zinc/67/36/31/344673631.db2.gz WJEKADBRHKTJEU-UHFFFAOYSA-N 1 0 215.340 3.529 10 0 BHAERO C[NH2+][C@]12CCCC[C@@H]1C[C@@H](C)c1ccccc12 ZINC000029571808 173470715 /nfs/dbraw/zinc/47/07/15/173470715.db2.gz LATMEMFFKNJSDV-XJKCOSOUSA-N 1 0 229.367 3.799 10 0 BHAERO C[NH2+][C@@]12CC=CC[C@@H]1CC(C)(C)c1ccccc12 ZINC000029571963 383999256 /nfs/dbraw/zinc/99/92/56/383999256.db2.gz KYQRJGRWEFBIRO-DYVFJYSZSA-N 1 0 241.378 3.749 10 0 BHAERO C[NH2+]C/C=C(/c1ccccc1)c1ccccc1C ZINC000031320103 173320771 /nfs/dbraw/zinc/32/07/71/173320771.db2.gz LMJPUKDCQMQWGA-ATVHPVEESA-N 1 0 237.346 3.646 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000031519734 582673663 /nfs/dbraw/zinc/67/36/63/582673663.db2.gz PZJBWSQQDMRZHY-QCZZGDTMSA-N 1 0 235.758 3.584 10 0 in-man BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000031519739 176463140 /nfs/dbraw/zinc/46/31/40/176463140.db2.gz PZJBWSQQDMRZHY-HERUPUMHSA-N 1 0 235.758 3.584 10 0 in-man BHAERO C[C@H]1[NH2+]CCc2cc(-c3ccccc3)ccc21 ZINC000031771516 188271736 /nfs/dbraw/zinc/27/17/36/188271736.db2.gz SQMOJWIMLXKWTG-GFCCVEGCSA-N 1 0 223.319 3.560 10 0 BHAERO CCC(C)(C)c1ccc(OC[C@@H]([NH3+])C(C)C)cc1 ZINC000031897984 168305571 /nfs/dbraw/zinc/30/55/71/168305571.db2.gz GZXKFONASKHNPR-OAHLLOKOSA-N 1 0 249.398 3.736 10 0 BHAERO CCC(C)(C)c1ccc(OC[C@H]([NH3+])C(C)C)cc1 ZINC000031897988 168306220 /nfs/dbraw/zinc/30/62/20/168306220.db2.gz GZXKFONASKHNPR-HNNXBMFYSA-N 1 0 249.398 3.736 10 0 BHAERO [NH3+][C@@H](CCc1ccccc1)C1CCCCC1 ZINC000032013212 181545539 /nfs/dbraw/zinc/54/55/39/181545539.db2.gz KBZXGIOLXVZRPX-HNNXBMFYSA-N 1 0 217.356 3.527 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2CCCCC2)ccc1F ZINC000032013994 178236503 /nfs/dbraw/zinc/23/65/03/178236503.db2.gz ILESYBCPVUIQBT-AWEZNQCLSA-N 1 0 221.319 3.714 10 0 BHAERO Cc1cc([C@H]([NH3+])C2CCCCC2)ccc1F ZINC000032013995 178262277 /nfs/dbraw/zinc/26/22/77/178262277.db2.gz ILESYBCPVUIQBT-CQSZACIVSA-N 1 0 221.319 3.714 10 0 BHAERO [NH3+][C@@H](CCCc1ccccc1)C1CCCCC1 ZINC000032016114 181542710 /nfs/dbraw/zinc/54/27/10/181542710.db2.gz HDUCWYJGQPZYCC-INIZCTEOSA-N 1 0 231.383 3.917 10 0 BHAERO [NH3+][C@H](CCCc1ccccc1)C1CCCCC1 ZINC000032016115 181615440 /nfs/dbraw/zinc/61/54/40/181615440.db2.gz HDUCWYJGQPZYCC-MRXNPFEDSA-N 1 0 231.383 3.917 10 0 BHAERO CC(C)[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000032016141 352741799 /nfs/dbraw/zinc/74/17/99/352741799.db2.gz KMDMPCIBHWPCKR-LLVKDONJSA-N 1 0 232.154 3.519 10 0 BHAERO CC(C)[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000032016142 167423246 /nfs/dbraw/zinc/42/32/46/167423246.db2.gz ABYYSXXDSNTZSF-NSHDSACASA-N 1 0 232.154 3.519 10 0 BHAERO CC(C)[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000032016143 187256867 /nfs/dbraw/zinc/25/68/67/187256867.db2.gz ABYYSXXDSNTZSF-LLVKDONJSA-N 1 0 232.154 3.519 10 0 BHAERO CC(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000032016144 167396364 /nfs/dbraw/zinc/39/63/64/167396364.db2.gz GRADZKDPFOPHKR-SNVBAGLBSA-N 1 0 232.154 3.692 10 0 BHAERO C[C@H]([NH3+])Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000032102145 176761908 /nfs/dbraw/zinc/76/19/08/176761908.db2.gz TWXRIEBGFQSYIC-NSHDSACASA-N 1 0 245.297 3.508 10 0 BHAERO [NH3+]CCC[C@@H](Oc1ccccc1)c1cccs1 ZINC000032103090 181385788 /nfs/dbraw/zinc/38/57/88/181385788.db2.gz KFLKDUUSNJCGGH-CYBMUJFWSA-N 1 0 247.363 3.607 10 0 BHAERO [NH3+]CCC[C@H](Oc1ccccc1)c1cccs1 ZINC000032103092 181385954 /nfs/dbraw/zinc/38/59/54/181385954.db2.gz KFLKDUUSNJCGGH-ZDUSSCGKSA-N 1 0 247.363 3.607 10 0 BHAERO CCCCOc1ccccc1C[NH2+]C1CCCC1 ZINC000032103219 168921754 /nfs/dbraw/zinc/92/17/54/168921754.db2.gz FZFJSJNPFHSYRL-UHFFFAOYSA-N 1 0 247.382 3.898 10 0 BHAERO Cc1cccc(OCC[C@@H]([NH3+])C2CCCCC2)c1 ZINC000032103311 179169674 /nfs/dbraw/zinc/16/96/74/179169674.db2.gz SQMWDNGJKJWCQU-MRXNPFEDSA-N 1 0 247.382 3.672 10 0 BHAERO Cc1cccc(OCC[C@H]([NH3+])C2CCCCC2)c1 ZINC000032103313 179170090 /nfs/dbraw/zinc/17/00/90/179170090.db2.gz SQMWDNGJKJWCQU-INIZCTEOSA-N 1 0 247.382 3.672 10 0 BHAERO CC(C)[C@H]([NH3+])CCOc1cccc(C(C)(C)C)c1 ZINC000032104919 187765685 /nfs/dbraw/zinc/76/56/85/187765685.db2.gz GOMKWXJYPUXYFN-OAHLLOKOSA-N 1 0 249.398 3.736 10 0 BHAERO CC(C)[C@H]([NH3+])CCOc1ccc(C(C)(C)C)cc1 ZINC000032104922 187765683 /nfs/dbraw/zinc/76/56/83/187765683.db2.gz AHETVTFZEFOSEW-OAHLLOKOSA-N 1 0 249.398 3.736 10 0 BHAERO CCCCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000032199152 168668006 /nfs/dbraw/zinc/66/80/06/168668006.db2.gz IQHJOMYZYKHJMA-MRXNPFEDSA-N 1 0 231.383 3.714 10 0 BHAERO CCCCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000032199155 168670541 /nfs/dbraw/zinc/67/05/41/168670541.db2.gz IQHJOMYZYKHJMA-INIZCTEOSA-N 1 0 231.383 3.714 10 0 BHAERO C[NH2+]Cc1cc2ccccc2c2ccccc12 ZINC000032231788 345758744 /nfs/dbraw/zinc/75/87/44/345758744.db2.gz LYPIOLDQSXVCPA-UHFFFAOYSA-N 1 0 221.303 3.712 10 0 BHAERO Nc1cc[nH+]cc1-c1cccc(Cl)c1Cl ZINC000032577761 181765299 /nfs/dbraw/zinc/76/52/99/181765299.db2.gz DQEWYYVSMKHECI-UHFFFAOYSA-N 1 0 239.105 3.638 10 0 BHAERO C/C(c1[nH]c(C)cc1C)=C1/[NH+]=C(C)C=C1C ZINC000032619749 168093272 /nfs/dbraw/zinc/09/32/72/168093272.db2.gz SKCQXLRUKOVDAF-OWBHPGMISA-N 1 0 214.312 3.783 10 0 BHAERO [NH3+]CCc1cccc(-c2ccccc2Cl)c1 ZINC000033427417 490233267 /nfs/dbraw/zinc/23/32/67/490233267.db2.gz QAJDKTUHIXVGQN-UHFFFAOYSA-N 1 0 231.726 3.508 10 0 BHAERO [NH3+]CCc1cccc(-c2cccc(Cl)c2)c1 ZINC000033427435 490233365 /nfs/dbraw/zinc/23/33/65/490233365.db2.gz NLWLHXLUNWDZAW-UHFFFAOYSA-N 1 0 231.726 3.508 10 0 BHAERO [NH3+]CCc1cccc(-c2ccc(Cl)cc2)c1 ZINC000033427453 490233207 /nfs/dbraw/zinc/23/32/07/490233207.db2.gz FMLZZOJDXNWXCN-UHFFFAOYSA-N 1 0 231.726 3.508 10 0 BHAERO Cc1cc(C)c(-c2ccc(C[NH3+])cc2)c(C)c1 ZINC000033427527 177835372 /nfs/dbraw/zinc/83/53/72/177835372.db2.gz STRYYSBDHBVMAG-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO [NH3+]Cc1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000033427806 181488460 /nfs/dbraw/zinc/48/84/60/181488460.db2.gz ZBJAOFWGEHEUMX-UHFFFAOYSA-N 1 0 235.689 3.605 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000033433829 170127408 /nfs/dbraw/zinc/12/74/08/170127408.db2.gz DTJNYBKGNIVGPQ-UHFFFAOYSA-N 1 0 227.307 3.588 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccc(C)cc2)cc1 ZINC000033434698 170127511 /nfs/dbraw/zinc/12/75/11/170127511.db2.gz SGNKBIHSVHOZEB-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccccc2C)cc1 ZINC000033434699 170127600 /nfs/dbraw/zinc/12/76/00/170127600.db2.gz ISNGJGWVXBOFMW-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2cccc(C)c2)cc1 ZINC000033434700 170127279 /nfs/dbraw/zinc/12/72/79/170127279.db2.gz FQKCKQITRIIASE-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000033435007 170127355 /nfs/dbraw/zinc/12/73/55/170127355.db2.gz GNIYVFXAKQGAQY-UHFFFAOYSA-N 1 0 245.297 3.728 10 0 BHAERO COc1ccc(C)cc1[C@@H]([NH3+])C1CCCCC1 ZINC000033464995 175080077 /nfs/dbraw/zinc/08/00/77/175080077.db2.gz NMOLVAOFAZBFEK-HNNXBMFYSA-N 1 0 233.355 3.584 10 0 BHAERO CC(C)c1ccc(OCC[C@@H]([NH3+])C(C)C)cc1 ZINC000033465652 167608264 /nfs/dbraw/zinc/60/82/64/167608264.db2.gz AEMRWOWJTHMKIZ-OAHLLOKOSA-N 1 0 235.371 3.562 10 0 BHAERO [NH3+][C@@H](Cc1cccc(Cl)c1)C1CCCCC1 ZINC000033466361 181555429 /nfs/dbraw/zinc/55/54/29/181555429.db2.gz PXIRKLDFQVZJHL-AWEZNQCLSA-N 1 0 237.774 3.790 10 0 BHAERO CC(C)Oc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000033469326 167288363 /nfs/dbraw/zinc/28/83/63/167288363.db2.gz QPXSMHYBKCFEKW-UHFFFAOYSA-N 1 0 241.334 3.600 10 0 BHAERO Cc1cccc(Oc2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000033469461 187256889 /nfs/dbraw/zinc/25/68/89/187256889.db2.gz QGHDPIFIGJTLHO-ZDUSSCGKSA-N 1 0 241.334 3.677 10 0 BHAERO [NH3+]C1(c2cc(Cl)ccc2Cl)CCCC1 ZINC000033487330 181334130 /nfs/dbraw/zinc/33/41/30/181334130.db2.gz ISXBRYHRRGPJMA-UHFFFAOYSA-N 1 0 230.138 3.721 10 0 BHAERO [NH3+]C1(c2c(Cl)cccc2Cl)CCCC1 ZINC000033487332 181331873 /nfs/dbraw/zinc/33/18/73/181331873.db2.gz IRNLLSOZDVLUHN-UHFFFAOYSA-N 1 0 230.138 3.721 10 0 BHAERO [NH3+]C1(c2cccc(Cl)c2Cl)CCCC1 ZINC000033487333 181335724 /nfs/dbraw/zinc/33/57/24/181335724.db2.gz ATZUENRHTUTZOK-UHFFFAOYSA-N 1 0 230.138 3.721 10 0 BHAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000033487336 181334101 /nfs/dbraw/zinc/33/41/01/181334101.db2.gz LQZLZQMLBQRCQU-UHFFFAOYSA-N 1 0 230.138 3.721 10 0 BHAERO Cc1ccccc1C1([NH3+])CCCCCC1 ZINC000033487405 179255563 /nfs/dbraw/zinc/25/55/63/179255563.db2.gz GLWXMGRJKIASMP-UHFFFAOYSA-N 1 0 203.329 3.503 10 0 BHAERO Cc1cccc(C2([NH3+])CCCCCC2)c1 ZINC000033487406 179050807 /nfs/dbraw/zinc/05/08/07/179050807.db2.gz FWUNOUMVYJAZMP-UHFFFAOYSA-N 1 0 203.329 3.503 10 0 BHAERO [NH3+]C1(c2ccc(F)c(F)c2F)CCCCCC1 ZINC000033487410 181334060 /nfs/dbraw/zinc/33/40/60/181334060.db2.gz ZKKHGHOICQQLLL-UHFFFAOYSA-N 1 0 243.272 3.612 10 0 BHAERO [NH3+]C1(c2ccccc2Cl)CCCCCC1 ZINC000033487416 181334643 /nfs/dbraw/zinc/33/46/43/181334643.db2.gz IKXBDHDHSYFEOL-UHFFFAOYSA-N 1 0 223.747 3.848 10 0 BHAERO [NH3+]C1(c2cccc(Cl)c2)CCCCCC1 ZINC000033487417 181334644 /nfs/dbraw/zinc/33/46/44/181334644.db2.gz BHJQYMHFRRCQLS-UHFFFAOYSA-N 1 0 223.747 3.848 10 0 BHAERO [NH3+]C1(c2ccc(Cl)cc2)CCCCCC1 ZINC000033487418 181334201 /nfs/dbraw/zinc/33/42/01/181334201.db2.gz PFEKUUCUKSLNRH-UHFFFAOYSA-N 1 0 223.747 3.848 10 0 BHAERO C1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033496145 350163307 /nfs/dbraw/zinc/16/33/07/350163307.db2.gz WZMKHTOKIUFRJS-UHFFFAOYSA-N 1 0 233.399 3.878 10 0 BHAERO CC[NH+](CC)CC12CC3CC(CC(C3)C1)C2 ZINC000033496161 345800111 /nfs/dbraw/zinc/80/01/11/345800111.db2.gz OFKOXUFNMPPLDQ-UHFFFAOYSA-N 1 0 221.388 3.545 10 0 BHAERO [NH3+]CCCC(c1ccccc1)c1ccccc1 ZINC000033506328 181374497 /nfs/dbraw/zinc/37/44/97/181374497.db2.gz MAAQGZFMFXQVOG-UHFFFAOYSA-N 1 0 225.335 3.557 10 0 in-vivo BHAERO CC[C@@H](c1ccccc1)[C@H]1[NH2+]CC[C@H]1CC ZINC000033625964 355424382 /nfs/dbraw/zinc/42/43/82/355424382.db2.gz TXYWEWYKMXZZNL-SNPRPXQTSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@@H](c1ccccc1)[C@H]1[NH2+]CC[C@@H]1CC ZINC000033625965 343258139 /nfs/dbraw/zinc/25/81/39/343258139.db2.gz TXYWEWYKMXZZNL-QEJZJMRPSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@@H](c1ccccc1)[C@@H]1[NH2+]CC[C@H]1CC ZINC000033625967 355424251 /nfs/dbraw/zinc/42/42/51/355424251.db2.gz TXYWEWYKMXZZNL-VHDGCEQUSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@@H](c1ccccc1)[C@@H]1[NH2+]CC[C@@H]1CC ZINC000033625969 343258292 /nfs/dbraw/zinc/25/82/92/343258292.db2.gz TXYWEWYKMXZZNL-AEGPPILISA-N 1 0 217.356 3.568 10 0 BHAERO CCC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000033868496 350248896 /nfs/dbraw/zinc/24/88/96/350248896.db2.gz OGDQQIOZHSSBOV-HNNXBMFYSA-N 1 0 233.355 3.632 10 0 BHAERO CCC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000033868497 350248886 /nfs/dbraw/zinc/24/88/86/350248886.db2.gz OGDQQIOZHSSBOV-OAHLLOKOSA-N 1 0 233.355 3.632 10 0 BHAERO CC(C)C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868502 385269001 /nfs/dbraw/zinc/26/90/01/385269001.db2.gz LVSWGUYBWPLWKM-HNNXBMFYSA-N 1 0 217.356 3.870 10 0 BHAERO CC(C)C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868503 187257326 /nfs/dbraw/zinc/25/73/26/187257326.db2.gz LVSWGUYBWPLWKM-OAHLLOKOSA-N 1 0 217.356 3.870 10 0 BHAERO CCC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868507 169414696 /nfs/dbraw/zinc/41/46/96/169414696.db2.gz BYYKMGRGZHFFHF-AWEZNQCLSA-N 1 0 203.329 3.624 10 0 BHAERO CCC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868508 169522425 /nfs/dbraw/zinc/52/24/25/169522425.db2.gz BYYKMGRGZHFFHF-CQSZACIVSA-N 1 0 203.329 3.624 10 0 BHAERO Clc1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000033872757 343261997 /nfs/dbraw/zinc/26/19/97/343261997.db2.gz VDRHBNNWUPCZNY-UHFFFAOYSA-N 1 0 237.774 3.662 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1cccs1 ZINC000033877414 170146758 /nfs/dbraw/zinc/14/67/58/170146758.db2.gz RVHAVWVBFCJLEH-ZDUSSCGKSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1cccs1 ZINC000033877415 170162688 /nfs/dbraw/zinc/16/26/88/170162688.db2.gz RVHAVWVBFCJLEH-CYBMUJFWSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1cccs1 ZINC000033877422 170146874 /nfs/dbraw/zinc/14/68/74/170146874.db2.gz PAODAZOYSMETGK-AWEZNQCLSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1cccs1 ZINC000033877423 170162110 /nfs/dbraw/zinc/16/21/10/170162110.db2.gz PAODAZOYSMETGK-CQSZACIVSA-N 1 0 245.391 3.950 10 0 BHAERO CCC[N@@H+]1CCC[C@H](c2cccc3[nH]ccc32)C1 ZINC000033885386 169198003 /nfs/dbraw/zinc/19/80/03/169198003.db2.gz MIDRVKMKPGATBE-ZDUSSCGKSA-N 1 0 242.366 3.757 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](c2cccc3[nH]ccc32)C1 ZINC000033885387 169195529 /nfs/dbraw/zinc/19/55/29/169195529.db2.gz MIDRVKMKPGATBE-CYBMUJFWSA-N 1 0 242.366 3.757 10 0 BHAERO C[C@@H]1CC2(CCCCC2)[N+](O)=Cc2ccccc21 ZINC000033939672 176057963 /nfs/dbraw/zinc/05/79/63/176057963.db2.gz UYACJWJWJZSWAV-CYBMUJFWSA-N 1 0 244.358 3.717 10 0 BHAERO C[C@H]1CC2(CCCCC2)[N+](O)=Cc2ccccc21 ZINC000033939673 177068224 /nfs/dbraw/zinc/06/82/24/177068224.db2.gz UYACJWJWJZSWAV-ZDUSSCGKSA-N 1 0 244.358 3.717 10 0 BHAERO C[NH+](C)[C@@H]1CCCC/C1=C\c1ccccc1 ZINC000033955783 345813971 /nfs/dbraw/zinc/81/39/71/345813971.db2.gz DXNVEOJBRPIODW-OKFGHLOFSA-N 1 0 215.340 3.574 10 0 BHAERO C[NH+](C)[C@H]1CCCC/C1=C\c1ccccc1 ZINC000033955784 345814207 /nfs/dbraw/zinc/81/42/07/345814207.db2.gz DXNVEOJBRPIODW-ZQHYZAEZSA-N 1 0 215.340 3.574 10 0 BHAERO CC(C)[NH+](C/C=C/c1ccccc1)C(C)C ZINC000034101754 187257135 /nfs/dbraw/zinc/25/71/35/187257135.db2.gz QOHVOTFSKSSADY-DHZHZOJOSA-N 1 0 217.356 3.819 10 0 in-vitro BHAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034113771 176327963 /nfs/dbraw/zinc/32/79/63/176327963.db2.gz IGNOUWQUGGVPBE-DOMZBBRYSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034113772 177284627 /nfs/dbraw/zinc/28/46/27/177284627.db2.gz IGNOUWQUGGVPBE-WFASDCNBSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034113773 176328557 /nfs/dbraw/zinc/32/85/57/176328557.db2.gz IGNOUWQUGGVPBE-IUODEOHRSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@H]1C[NH2+]CC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034113774 177284682 /nfs/dbraw/zinc/28/46/82/177284682.db2.gz IGNOUWQUGGVPBE-SWLSCSKDSA-N 1 0 231.383 3.697 10 0 BHAERO [NH3+][C@@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000034146602 345818256 /nfs/dbraw/zinc/81/82/56/345818256.db2.gz XCVYWTUVTDMZMO-OAHLLOKOSA-N 1 0 228.339 3.748 10 0 BHAERO [NH3+][C@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000034146603 345818322 /nfs/dbraw/zinc/81/83/22/345818322.db2.gz XCVYWTUVTDMZMO-HNNXBMFYSA-N 1 0 228.339 3.748 10 0 BHAERO CCCCCC[C@H]([NH2+]C)c1ccccc1 ZINC000034180778 346217393 /nfs/dbraw/zinc/21/73/93/346217393.db2.gz UGERMCKQXQQIQI-AWEZNQCLSA-N 1 0 205.345 3.918 10 0 BHAERO CCCCCC[C@@H]([NH2+]C)c1ccccc1 ZINC000034180779 346217087 /nfs/dbraw/zinc/21/70/87/346217087.db2.gz UGERMCKQXQQIQI-CQSZACIVSA-N 1 0 205.345 3.918 10 0 BHAERO Cc1cccc([C@@H](C)[NH3+])c1OCc1ccccc1 ZINC000034349789 179178662 /nfs/dbraw/zinc/17/86/62/179178662.db2.gz SDRRKJUWENAUCX-CYBMUJFWSA-N 1 0 241.334 3.594 10 0 BHAERO Cc1cccc([C@H](C)[NH3+])c1OCc1ccccc1 ZINC000034349790 179193502 /nfs/dbraw/zinc/19/35/02/179193502.db2.gz SDRRKJUWENAUCX-ZDUSSCGKSA-N 1 0 241.334 3.594 10 0 BHAERO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000034372642 343268995 /nfs/dbraw/zinc/26/89/95/343268995.db2.gz VWNDBMJMUZAPHS-LBPRGKRZSA-N 1 0 227.307 3.759 10 0 BHAERO C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000034372644 343268929 /nfs/dbraw/zinc/26/89/29/343268929.db2.gz VWNDBMJMUZAPHS-GFCCVEGCSA-N 1 0 227.307 3.759 10 0 BHAERO Brc1ccccc1Nc1cc[nH+]cc1 ZINC000034397925 166103426 /nfs/dbraw/zinc/10/34/26/166103426.db2.gz FHNBUDLTARKVOT-UHFFFAOYSA-N 1 0 249.111 3.588 10 0 BHAERO CCCC[C@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034435077 345833416 /nfs/dbraw/zinc/83/34/16/345833416.db2.gz SUTMRHSHRQPPSM-HNNXBMFYSA-N 1 0 246.398 3.867 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034435080 345833533 /nfs/dbraw/zinc/83/35/33/345833533.db2.gz SUTMRHSHRQPPSM-OAHLLOKOSA-N 1 0 246.398 3.867 10 0 BHAERO CCC[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000034453039 350469264 /nfs/dbraw/zinc/46/92/64/350469264.db2.gz VLAPCBYKHNEWLS-ZDUSSCGKSA-N 1 0 219.372 3.827 10 0 BHAERO CCC[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000034453041 350468893 /nfs/dbraw/zinc/46/88/93/350468893.db2.gz VLAPCBYKHNEWLS-CYBMUJFWSA-N 1 0 219.372 3.827 10 0 BHAERO C[NH2+]Cc1ccccc1Cc1ccc(Cl)cc1 ZINC000034470391 345834796 /nfs/dbraw/zinc/83/47/96/345834796.db2.gz WMWJHJSOWOMQJH-UHFFFAOYSA-N 1 0 245.753 3.650 10 0 BHAERO [NH3+]Cc1ccc(/C=C/C=C/c2ccccc2)cc1 ZINC000034483315 345835184 /nfs/dbraw/zinc/83/51/84/345835184.db2.gz RQHZQGQTJUWDSN-KBXRYBNXSA-N 1 0 235.330 3.872 10 0 BHAERO CCC[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000034483710 169268342 /nfs/dbraw/zinc/26/83/42/169268342.db2.gz XMKNHOCGLTUKIY-UHFFFAOYSA-N 1 0 241.334 3.979 10 0 BHAERO C[C@@H]1C(c2ccc3cc(F)ccc3c2)=CC[N@H+]1C ZINC000034511297 176047424 /nfs/dbraw/zinc/04/74/24/176047424.db2.gz XKUXGLVIYXGMNK-LLVKDONJSA-N 1 0 241.309 3.696 10 0 BHAERO CCC[C@H]([NH2+]C)c1ccccc1N1CCCCC1 ZINC000034522607 345831111 /nfs/dbraw/zinc/83/11/11/345831111.db2.gz YAHIOLNGZOZAKS-HNNXBMFYSA-N 1 0 246.398 3.738 10 0 BHAERO CCC[C@@H]([NH2+]C)c1ccccc1N1CCCCC1 ZINC000034522608 345830931 /nfs/dbraw/zinc/83/09/31/345830931.db2.gz YAHIOLNGZOZAKS-OAHLLOKOSA-N 1 0 246.398 3.738 10 0 BHAERO [NH3+]CCCCCCOCCCCc1ccccc1 ZINC000034582845 345833019 /nfs/dbraw/zinc/83/30/19/345833019.db2.gz GNSOSZKMHANCMP-UHFFFAOYSA-N 1 0 249.398 3.545 10 0 BHAERO C[C@@]12[NH2+][C@@H](CC3=C1CCCC3)c1ccccc12 ZINC000034614609 345837827 /nfs/dbraw/zinc/83/78/27/345837827.db2.gz DNQMEVZYRQESJN-JKSUJKDBSA-N 1 0 225.335 3.820 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000034624335 343142566 /nfs/dbraw/zinc/14/25/66/343142566.db2.gz NFHDLJMHTUYMPW-RYUDHWBXSA-N 1 0 205.345 3.772 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000034624337 350472207 /nfs/dbraw/zinc/47/22/07/350472207.db2.gz NFHDLJMHTUYMPW-NEPJUHHUSA-N 1 0 205.345 3.772 10 0 BHAERO CC[C@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000034628508 348734354 /nfs/dbraw/zinc/73/43/54/348734354.db2.gz UUNJAUASKIVDQJ-HNNXBMFYSA-N 1 0 227.307 3.889 10 0 BHAERO CC[C@@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000034628509 348734546 /nfs/dbraw/zinc/73/45/46/348734546.db2.gz UUNJAUASKIVDQJ-OAHLLOKOSA-N 1 0 227.307 3.889 10 0 BHAERO c1ccc(Oc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000034652035 188284488 /nfs/dbraw/zinc/28/44/88/188284488.db2.gz MYXBMGLHLKRCFZ-UHFFFAOYSA-N 1 0 239.318 3.731 10 0 BHAERO c1cc(-c2ccccc2)sc1C[NH2+]C1CC1 ZINC000034652272 183379694 /nfs/dbraw/zinc/37/96/94/183379694.db2.gz MGKDBWOJGCSAPJ-UHFFFAOYSA-N 1 0 229.348 3.667 10 0 BHAERO CCC[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000034652524 169267625 /nfs/dbraw/zinc/26/76/25/169267625.db2.gz MTSVAAFJWMOURJ-UHFFFAOYSA-N 1 0 241.334 3.979 10 0 BHAERO CCCCCCOc1c(C)cc(C[NH2+]C)cc1C ZINC000034656584 168672043 /nfs/dbraw/zinc/67/20/43/168672043.db2.gz MPRPHVIDXGJJAP-UHFFFAOYSA-N 1 0 249.398 3.982 10 0 BHAERO CC[NH2+]Cc1cc(C)c(O[C@H](C)CC)c(C)c1 ZINC000034656812 170125239 /nfs/dbraw/zinc/12/52/39/170125239.db2.gz HMBZEDBBYYBVEC-CYBMUJFWSA-N 1 0 235.371 3.590 10 0 BHAERO CC[NH2+]Cc1cc(C)c(O[C@@H](C)CC)c(C)c1 ZINC000034656814 170125246 /nfs/dbraw/zinc/12/52/46/170125246.db2.gz HMBZEDBBYYBVEC-ZDUSSCGKSA-N 1 0 235.371 3.590 10 0 BHAERO CCC[NH2+]Cc1cc(C)c(O[C@@H](C)CC)c(C)c1 ZINC000034656949 169265917 /nfs/dbraw/zinc/26/59/17/169265917.db2.gz JSBQXPMCWXUQDN-AWEZNQCLSA-N 1 0 249.398 3.980 10 0 BHAERO CCC[NH2+]Cc1cc(C)c(O[C@H](C)CC)c(C)c1 ZINC000034656951 169265303 /nfs/dbraw/zinc/26/53/03/169265303.db2.gz JSBQXPMCWXUQDN-CQSZACIVSA-N 1 0 249.398 3.980 10 0 BHAERO CCC[NH2+]Cc1cc(C)c(OCCC)c(C)c1 ZINC000034656974 169265992 /nfs/dbraw/zinc/26/59/92/169265992.db2.gz DTKGZWQABPUHIF-UHFFFAOYSA-N 1 0 235.371 3.592 10 0 BHAERO CC[C@H](C)Oc1c(C)cc(C[NH2+]C(C)C)cc1C ZINC000034657032 171356324 /nfs/dbraw/zinc/35/63/24/171356324.db2.gz IPUAJZXKKTXNSG-AWEZNQCLSA-N 1 0 249.398 3.979 10 0 BHAERO CCC[NH2+]Cc1ccccc1OC1CCCCC1 ZINC000034658799 169267810 /nfs/dbraw/zinc/26/78/10/169267810.db2.gz NGUHITAHKGYYFS-UHFFFAOYSA-N 1 0 247.382 3.898 10 0 BHAERO CC[NH2+]Cc1ccccc1Oc1ccc(C)cc1 ZINC000034664089 170129678 /nfs/dbraw/zinc/12/96/78/170129678.db2.gz XXVGVCXGOJEWCU-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccc(C)cc2)c(F)c1 ZINC000034664104 173388603 /nfs/dbraw/zinc/38/86/03/173388603.db2.gz UCNXTIRNFXPOJE-UHFFFAOYSA-N 1 0 245.297 3.646 10 0 BHAERO C[NH2+]Cc1ccccc1Oc1cc(C)ccc1C ZINC000034664534 173390860 /nfs/dbraw/zinc/39/08/60/173390860.db2.gz JWUIUYZTGRSNEV-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]Cc1ccccc1Oc1ccc(C)c(C)c1 ZINC000034664554 173390250 /nfs/dbraw/zinc/39/02/50/173390250.db2.gz ADJFMCUPDBBCOE-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO C[NH2+]Cc1ccccc1Oc1cc(C)cc(C)c1 ZINC000034664574 173390198 /nfs/dbraw/zinc/39/01/98/173390198.db2.gz GKFDQQYOBJVQEA-UHFFFAOYSA-N 1 0 241.334 3.815 10 0 BHAERO CC[NH2+]Cc1ccccc1Oc1cccc(C)c1 ZINC000034664578 170129251 /nfs/dbraw/zinc/12/92/51/170129251.db2.gz RFPOSIQQKKOTLL-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO CC[NH2+]Cc1ccccc1Oc1ccccc1C ZINC000034664599 170129541 /nfs/dbraw/zinc/12/95/41/170129541.db2.gz JRQKPDHRVWNJDD-UHFFFAOYSA-N 1 0 241.334 3.897 10 0 BHAERO CC[NH2+]Cc1ccccc1Oc1ccc(F)cc1 ZINC000034664620 170129467 /nfs/dbraw/zinc/12/94/67/170129467.db2.gz ICSIGURKBNOUAS-UHFFFAOYSA-N 1 0 245.297 3.728 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1Oc1ccccc1F ZINC000034665788 173448999 /nfs/dbraw/zinc/44/89/99/173448999.db2.gz IAACGJAZWBYFCC-LLVKDONJSA-N 1 0 245.297 3.898 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1N(CC)C(C)C ZINC000034666869 169276887 /nfs/dbraw/zinc/27/68/87/169276887.db2.gz MBDXKPOFSIUXED-AWEZNQCLSA-N 1 0 248.414 3.982 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1N(CC)C(C)C ZINC000034666870 169286966 /nfs/dbraw/zinc/28/69/66/169286966.db2.gz MBDXKPOFSIUXED-CQSZACIVSA-N 1 0 248.414 3.982 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(CC)[C@H](C)CC ZINC000034666913 170160118 /nfs/dbraw/zinc/16/01/18/170160118.db2.gz AIZHAYGXGVUBAO-ZIAGYGMSSA-N 1 0 248.414 3.982 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(CC)[C@@H](C)CC ZINC000034666914 170160498 /nfs/dbraw/zinc/16/04/98/170160498.db2.gz AIZHAYGXGVUBAO-UONOGXRCSA-N 1 0 248.414 3.982 10 0 BHAERO CCc1ccc(-c2ccc(C[NH2+]C)s2)cc1 ZINC000034670688 171778812 /nfs/dbraw/zinc/77/88/12/171778812.db2.gz FARBOPHVHGIFIN-UHFFFAOYSA-N 1 0 231.364 3.697 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000034670707 173387771 /nfs/dbraw/zinc/38/77/71/173387771.db2.gz WZASXXCZBVILSB-UHFFFAOYSA-N 1 0 243.375 3.623 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)cc2C)s1 ZINC000034670776 173388061 /nfs/dbraw/zinc/38/80/61/173388061.db2.gz RNBNJYSZWLOBRO-UHFFFAOYSA-N 1 0 231.364 3.751 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)c(C)c2)s1 ZINC000034670786 173387724 /nfs/dbraw/zinc/38/77/24/173387724.db2.gz JDVHGPICWSBOKC-UHFFFAOYSA-N 1 0 231.364 3.751 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)s1 ZINC000034670793 170126854 /nfs/dbraw/zinc/12/68/54/170126854.db2.gz PKVJOAUFLSBSNC-UHFFFAOYSA-N 1 0 249.354 3.972 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(C)ccc2C)s1 ZINC000034670804 173388249 /nfs/dbraw/zinc/38/82/49/173388249.db2.gz PDDWSVMUPWHTFB-UHFFFAOYSA-N 1 0 231.364 3.751 10 0 BHAERO COC(C[C@]1(c2ccccc2)CCC[NH2+]1)=C(C)C ZINC000034768777 173964999 /nfs/dbraw/zinc/96/49/99/173964999.db2.gz DLTDBDMESWOYSQ-INIZCTEOSA-N 1 0 245.366 3.596 10 0 BHAERO COC(C[C@@]1(c2ccccc2)CCC[NH2+]1)=C(C)C ZINC000034768779 343278174 /nfs/dbraw/zinc/27/81/74/343278174.db2.gz DLTDBDMESWOYSQ-MRXNPFEDSA-N 1 0 245.366 3.596 10 0 BHAERO C[n+]1ccccc1/C=C\c1cccc2ccccc12 ZINC000034772014 187244308 /nfs/dbraw/zinc/24/43/08/187244308.db2.gz SSNJTEDYJJBNSY-SEYXRHQNSA-N 1 0 246.333 3.835 10 0 BHAERO Cc1ccccc1-c1cccc2cc(C[NH3+])oc21 ZINC000034777473 345840794 /nfs/dbraw/zinc/84/07/94/345840794.db2.gz CDTSGTUKEGNUTE-UHFFFAOYSA-N 1 0 237.302 3.867 10 0 BHAERO CCC[NH2+]Cc1cccc(OC2CCCCC2)c1 ZINC000034816422 169267713 /nfs/dbraw/zinc/26/77/13/169267713.db2.gz UDSCECIAXZUZHS-UHFFFAOYSA-N 1 0 247.382 3.898 10 0 BHAERO CCCCCOc1cccc(C[NH2+]C(C)C)c1 ZINC000034816490 168730668 /nfs/dbraw/zinc/73/06/68/168730668.db2.gz MIBJYVYIJWYQBS-UHFFFAOYSA-N 1 0 235.371 3.754 10 0 BHAERO CC[C@H]([NH2+]C)c1ccccc1OC1CCCC1 ZINC000034818273 171514323 /nfs/dbraw/zinc/51/43/23/171514323.db2.gz KAUZFIBSRHUBJA-AWEZNQCLSA-N 1 0 233.355 3.679 10 0 BHAERO CC[NH2+][C@@H](CC)c1ccccc1OCC(C)C ZINC000034818294 170144295 /nfs/dbraw/zinc/14/42/95/170144295.db2.gz PXYXGGNSHCSRFD-AWEZNQCLSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](CC)c1ccccc1OCC(C)C ZINC000034818296 170161798 /nfs/dbraw/zinc/16/17/98/170161798.db2.gz PXYXGGNSHCSRFD-CQSZACIVSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@@H](CC)c1ccccc1OCCC ZINC000034818685 169278574 /nfs/dbraw/zinc/27/85/74/169278574.db2.gz RQJZLZRSDYBZIR-AWEZNQCLSA-N 1 0 235.371 3.926 10 0 BHAERO CCC[NH2+][C@H](CC)c1ccccc1OCCC ZINC000034818687 169289490 /nfs/dbraw/zinc/28/94/90/169289490.db2.gz RQJZLZRSDYBZIR-CQSZACIVSA-N 1 0 235.371 3.926 10 0 BHAERO C[NH2+][C@H](C)c1ccc(OCC2CCCCC2)cc1 ZINC000034819046 173449465 /nfs/dbraw/zinc/44/94/65/173449465.db2.gz UBRWUVWPNVAGMA-CYBMUJFWSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1OCCC(C)C ZINC000034820786 170141922 /nfs/dbraw/zinc/14/19/22/170141922.db2.gz NXBDAPIKIZOLKB-ZDUSSCGKSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1OCCC(C)C ZINC000034820788 170160121 /nfs/dbraw/zinc/16/01/21/170160121.db2.gz NXBDAPIKIZOLKB-CYBMUJFWSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1ccc(OCCC)cc1 ZINC000034821824 169275175 /nfs/dbraw/zinc/27/51/75/169275175.db2.gz WFTQMILJSBJNFQ-AWEZNQCLSA-N 1 0 249.398 3.796 10 0 BHAERO CCC[NH2+][C@H](C)CCc1ccc(OCCC)cc1 ZINC000034821826 169285962 /nfs/dbraw/zinc/28/59/62/169285962.db2.gz WFTQMILJSBJNFQ-CQSZACIVSA-N 1 0 249.398 3.796 10 0 BHAERO CC[NH2+][C@@H](CC)c1ccc(OCC(C)C)cc1 ZINC000034822709 170144057 /nfs/dbraw/zinc/14/40/57/170144057.db2.gz XVCHBXRFHJQFFP-HNNXBMFYSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](CC)c1ccc(OCC(C)C)cc1 ZINC000034822710 170161905 /nfs/dbraw/zinc/16/19/05/170161905.db2.gz XVCHBXRFHJQFFP-OAHLLOKOSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+]Cc1ccccc1N1CCCCCC1 ZINC000034823396 169267629 /nfs/dbraw/zinc/26/76/29/169267629.db2.gz LSBAEQXVXWONLI-UHFFFAOYSA-N 1 0 246.398 3.567 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1N(C)C1CCCC1 ZINC000034824809 167120169 /nfs/dbraw/zinc/12/01/69/167120169.db2.gz DHGDLWNSPOQGSJ-UHFFFAOYSA-N 1 0 246.398 3.563 10 0 BHAERO CCC[NH2+]Cc1ccccc1N(CC)CC(C)C ZINC000034825087 169267963 /nfs/dbraw/zinc/26/79/63/169267963.db2.gz GQRGMANGLMPAMI-UHFFFAOYSA-N 1 0 248.414 3.669 10 0 BHAERO CC[C@H](C)N(CC)c1ccccc1C[NH2+]C(C)C ZINC000034825135 171311578 /nfs/dbraw/zinc/31/15/78/171311578.db2.gz YNGKZHFPQHDRME-AWEZNQCLSA-N 1 0 248.414 3.809 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccccc2F)cc1 ZINC000034833671 170127731 /nfs/dbraw/zinc/12/77/31/170127731.db2.gz WWQXUZLVTLWJIY-UHFFFAOYSA-N 1 0 245.297 3.728 10 0 BHAERO CC[NH2+]Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000034833957 170127828 /nfs/dbraw/zinc/12/78/28/170127828.db2.gz CBBAHXPKMBNBOC-UHFFFAOYSA-N 1 0 245.297 3.728 10 0 BHAERO CCCCN(CC)c1ccccc1[C@@H](C)[NH2+]CC ZINC000034838899 168803523 /nfs/dbraw/zinc/80/35/23/168803523.db2.gz IZPGGGWHUMFACN-CQSZACIVSA-N 1 0 248.414 3.984 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)C(C)C ZINC000034839219 169276964 /nfs/dbraw/zinc/27/69/64/169276964.db2.gz RCMUCDXDWFVDDF-ZDUSSCGKSA-N 1 0 234.387 3.592 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1N(C)C(C)C ZINC000034839222 169287207 /nfs/dbraw/zinc/28/72/07/169287207.db2.gz RCMUCDXDWFVDDF-CYBMUJFWSA-N 1 0 234.387 3.592 10 0 BHAERO C[NH2+][C@@H](C)c1ccccc1N1CCCCCCC1 ZINC000034840775 173420181 /nfs/dbraw/zinc/42/01/81/173420181.db2.gz OIHBIAZSRQBRDX-AWEZNQCLSA-N 1 0 246.398 3.738 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1N1CCCCCCC1 ZINC000034840777 173449218 /nfs/dbraw/zinc/44/92/18/173449218.db2.gz OIHBIAZSRQBRDX-CQSZACIVSA-N 1 0 246.398 3.738 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1N(C)C1CCCC1 ZINC000034841207 170142121 /nfs/dbraw/zinc/14/21/21/170142121.db2.gz NINKOQQKVNQVSD-ZDUSSCGKSA-N 1 0 246.398 3.736 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)C1CCCC1 ZINC000034841209 170160157 /nfs/dbraw/zinc/16/01/57/170160157.db2.gz NINKOQQKVNQVSD-CYBMUJFWSA-N 1 0 246.398 3.736 10 0 BHAERO CCCN(c1ccccc1[C@@H](C)[NH2+]CC)C(C)C ZINC000034841321 169182279 /nfs/dbraw/zinc/18/22/79/169182279.db2.gz FNVWAHFEBLTYTC-CQSZACIVSA-N 1 0 248.414 3.982 10 0 BHAERO CCCN(c1ccccc1[C@H](C)[NH2+]CC)C(C)C ZINC000034841323 169183037 /nfs/dbraw/zinc/18/30/37/169183037.db2.gz FNVWAHFEBLTYTC-AWEZNQCLSA-N 1 0 248.414 3.982 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)CC(C)C ZINC000034841470 169277127 /nfs/dbraw/zinc/27/71/27/169277127.db2.gz DYLMVNSIGBKDIA-AWEZNQCLSA-N 1 0 248.414 3.839 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1N(C)CC(C)C ZINC000034841472 169287136 /nfs/dbraw/zinc/28/71/36/169287136.db2.gz DYLMVNSIGBKDIA-CQSZACIVSA-N 1 0 248.414 3.839 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)[C@@H](C)CC ZINC000034841523 169277424 /nfs/dbraw/zinc/27/74/24/169277424.db2.gz KUQKEKHDSSNYCV-KBPBESRZSA-N 1 0 248.414 3.982 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1N(C)[C@@H](C)CC ZINC000034841526 169287358 /nfs/dbraw/zinc/28/73/58/169287358.db2.gz KUQKEKHDSSNYCV-UONOGXRCSA-N 1 0 248.414 3.982 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)[C@H](C)CC ZINC000034841528 170160272 /nfs/dbraw/zinc/16/02/72/170160272.db2.gz SKCUXZGSLSPYDG-CHWSQXEVSA-N 1 0 234.387 3.592 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)[C@@H](C)CC ZINC000034841530 170159657 /nfs/dbraw/zinc/15/96/57/170159657.db2.gz SKCUXZGSLSPYDG-QWHCGFSZSA-N 1 0 234.387 3.592 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1OCC1CC1 ZINC000034842070 169276754 /nfs/dbraw/zinc/27/67/54/169276754.db2.gz NVIFDZFARMTCCG-LBPRGKRZSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1OCC1CC1 ZINC000034842072 169287165 /nfs/dbraw/zinc/28/71/65/169287165.db2.gz NVIFDZFARMTCCG-GFCCVEGCSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(OCc2ccco2)cc1 ZINC000034842288 170141730 /nfs/dbraw/zinc/14/17/30/170141730.db2.gz QTVIOUIIWWPUIX-LBPRGKRZSA-N 1 0 245.322 3.529 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(OCc2ccco2)cc1 ZINC000034842290 170159606 /nfs/dbraw/zinc/15/96/06/170159606.db2.gz QTVIOUIIWWPUIX-GFCCVEGCSA-N 1 0 245.322 3.529 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1OC(C)(C)C ZINC000034844789 169277036 /nfs/dbraw/zinc/27/70/36/169277036.db2.gz GJHSAYMLOWZECC-LBPRGKRZSA-N 1 0 235.371 3.925 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1OC(C)(C)C ZINC000034844791 169286690 /nfs/dbraw/zinc/28/66/90/169286690.db2.gz GJHSAYMLOWZECC-GFCCVEGCSA-N 1 0 235.371 3.925 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1OC(C)(C)C ZINC000034844828 170141374 /nfs/dbraw/zinc/14/13/74/170141374.db2.gz KSCXYKKZCCGQJT-JTQLQIEISA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1cc(F)ccc1OC(C)(C)C ZINC000034844830 170159446 /nfs/dbraw/zinc/15/94/46/170159446.db2.gz KSCXYKKZCCGQJT-SNVBAGLBSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(OC(C)(C)C)c(F)c1 ZINC000034844839 170141505 /nfs/dbraw/zinc/14/15/05/170141505.db2.gz WSSPZHDZOQTDSO-JTQLQIEISA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(OC(C)(C)C)c(F)c1 ZINC000034844841 170159545 /nfs/dbraw/zinc/15/95/45/170159545.db2.gz WSSPZHDZOQTDSO-SNVBAGLBSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1OC(C)(C)CC ZINC000034844988 170160415 /nfs/dbraw/zinc/16/04/15/170160415.db2.gz VEGVFKTZYPTNHP-GFCCVEGCSA-N 1 0 235.371 3.925 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1OC(C)(C)CC ZINC000034844989 170141862 /nfs/dbraw/zinc/14/18/62/170141862.db2.gz VEGVFKTZYPTNHP-LBPRGKRZSA-N 1 0 235.371 3.925 10 0 BHAERO CCC(C)(C)Oc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000034845037 168304572 /nfs/dbraw/zinc/30/45/72/168304572.db2.gz WGJXDKSNFVYBEN-SNVBAGLBSA-N 1 0 239.334 3.674 10 0 BHAERO CCC(C)(C)Oc1ccc([C@H](C)[NH2+]C)cc1F ZINC000034845039 168304332 /nfs/dbraw/zinc/30/43/32/168304332.db2.gz WGJXDKSNFVYBEN-JTQLQIEISA-N 1 0 239.334 3.674 10 0 BHAERO CCC[NH2+][C@@H](C)c1c(F)cccc1OCCC ZINC000034845543 169276147 /nfs/dbraw/zinc/27/61/47/169276147.db2.gz QNIOHFDVOMJNNM-NSHDSACASA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@H](C)c1c(F)cccc1OCCC ZINC000034845545 169287141 /nfs/dbraw/zinc/28/71/41/169287141.db2.gz QNIOHFDVOMJNNM-LLVKDONJSA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccc(OCCC)c(F)c1 ZINC000034845565 169276608 /nfs/dbraw/zinc/27/66/08/169276608.db2.gz KRLVYNVQOWJLML-NSHDSACASA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@H](C)c1ccc(OCCC)c(F)c1 ZINC000034845566 169286874 /nfs/dbraw/zinc/28/68/74/169286874.db2.gz KRLVYNVQOWJLML-LLVKDONJSA-N 1 0 239.334 3.675 10 0 BHAERO CCCCOc1cccc(F)c1[C@@H](C)[NH2+]CC ZINC000034845579 168919254 /nfs/dbraw/zinc/91/92/54/168919254.db2.gz VRQKLSHGWPGBJM-LLVKDONJSA-N 1 0 239.334 3.675 10 0 BHAERO CCCCOc1ccc([C@@H](C)[NH2+]CC)cc1F ZINC000034845603 187594905 /nfs/dbraw/zinc/59/49/05/187594905.db2.gz OREIQNWVUQUEDT-LLVKDONJSA-N 1 0 239.334 3.675 10 0 BHAERO CCCCOc1ccc([C@H](C)[NH2+]CC)cc1F ZINC000034845605 188284781 /nfs/dbraw/zinc/28/47/81/188284781.db2.gz OREIQNWVUQUEDT-NSHDSACASA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1SCC ZINC000034845756 169275607 /nfs/dbraw/zinc/27/56/07/169275607.db2.gz CSWISSWMNPJDDC-JTQLQIEISA-N 1 0 241.375 3.998 10 0 BHAERO CCC[NH2+][C@H](C)c1cc(F)ccc1SCC ZINC000034845758 169286860 /nfs/dbraw/zinc/28/68/60/169286860.db2.gz CSWISSWMNPJDDC-SNVBAGLBSA-N 1 0 241.375 3.998 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccc(SCC)c(F)c1 ZINC000034845765 169277524 /nfs/dbraw/zinc/27/75/24/169277524.db2.gz NDYPPZWNEGXJTH-JTQLQIEISA-N 1 0 241.375 3.998 10 0 BHAERO CCCSc1ccc(F)cc1[C@@H](C)[NH2+]CC ZINC000034845834 169341378 /nfs/dbraw/zinc/34/13/78/169341378.db2.gz JLGVQAVSVRMDMO-SNVBAGLBSA-N 1 0 241.375 3.998 10 0 BHAERO CCCSc1ccc(F)cc1[C@H](C)[NH2+]CC ZINC000034845836 169341237 /nfs/dbraw/zinc/34/12/37/169341237.db2.gz JLGVQAVSVRMDMO-JTQLQIEISA-N 1 0 241.375 3.998 10 0 BHAERO CCCSc1ccc([C@@H](C)[NH2+]CC)cc1F ZINC000034845842 169341000 /nfs/dbraw/zinc/34/10/00/169341000.db2.gz BLDPXWZOIRYHHI-SNVBAGLBSA-N 1 0 241.375 3.998 10 0 BHAERO CCCSc1ccc([C@H](C)[NH2+]CC)cc1F ZINC000034845844 169341610 /nfs/dbraw/zinc/34/16/10/169341610.db2.gz BLDPXWZOIRYHHI-JTQLQIEISA-N 1 0 241.375 3.998 10 0 BHAERO C[NH2+][C@H](C)c1ccc(Sc2ccccn2)cc1 ZINC000034846542 173449500 /nfs/dbraw/zinc/44/95/00/173449500.db2.gz RBVBNHXFLLSAOL-LLVKDONJSA-N 1 0 244.363 3.513 10 0 BHAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH3+])[C@@H]2Cc1ccccc1 ZINC000034924564 168010502 /nfs/dbraw/zinc/01/05/02/168010502.db2.gz IAYDUMXUKNHEIZ-JYYAWHABSA-N 1 0 243.394 3.629 10 0 BHAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH3+])[C@@H]2Cc1ccccc1 ZINC000034924565 168004067 /nfs/dbraw/zinc/00/40/67/168004067.db2.gz IAYDUMXUKNHEIZ-ANQUJSFKSA-N 1 0 243.394 3.629 10 0 BHAERO CC(C)(C)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939189 351354634 /nfs/dbraw/zinc/35/46/34/351354634.db2.gz QAWOQRRMELNNQK-ZETCQYMHSA-N 1 0 217.765 3.838 10 0 BHAERO CC(C)(C)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939190 351354229 /nfs/dbraw/zinc/35/42/29/351354229.db2.gz QAWOQRRMELNNQK-SSDOTTSWSA-N 1 0 217.765 3.838 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccccc1F ZINC000034939197 351354772 /nfs/dbraw/zinc/35/47/72/351354772.db2.gz IYPXMQJWBCHUFM-NSHDSACASA-N 1 0 241.718 3.589 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccccc1F ZINC000034939198 351354259 /nfs/dbraw/zinc/35/42/59/351354259.db2.gz IYPXMQJWBCHUFM-LLVKDONJSA-N 1 0 241.718 3.589 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000034939205 351354033 /nfs/dbraw/zinc/35/40/33/351354033.db2.gz NFTOJADCCFITPV-NSHDSACASA-N 1 0 241.718 3.589 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000034939206 351354198 /nfs/dbraw/zinc/35/41/98/351354198.db2.gz NFTOJADCCFITPV-LLVKDONJSA-N 1 0 241.718 3.589 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000034939209 179201017 /nfs/dbraw/zinc/20/10/17/179201017.db2.gz BWCWHQYUVLAKAJ-LBPRGKRZSA-N 1 0 237.755 3.758 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000034939210 179187044 /nfs/dbraw/zinc/18/70/44/179187044.db2.gz BWCWHQYUVLAKAJ-GFCCVEGCSA-N 1 0 237.755 3.758 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000034939217 351354793 /nfs/dbraw/zinc/35/47/93/351354793.db2.gz FFPOQSLNWUCBAF-NSHDSACASA-N 1 0 241.718 3.589 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000034939218 351354119 /nfs/dbraw/zinc/35/41/19/351354119.db2.gz FFPOQSLNWUCBAF-LLVKDONJSA-N 1 0 241.718 3.589 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939235 179343019 /nfs/dbraw/zinc/34/30/19/179343019.db2.gz QUHCPBMDBJQHPO-LBPRGKRZSA-N 1 0 237.755 3.758 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939236 179325230 /nfs/dbraw/zinc/32/52/30/179325230.db2.gz QUHCPBMDBJQHPO-GFCCVEGCSA-N 1 0 237.755 3.758 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)C1CCCC1 ZINC000034939237 351354414 /nfs/dbraw/zinc/35/44/14/351354414.db2.gz BPEBSBDPAQZZBN-SNVBAGLBSA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)C1CCCC1 ZINC000034939238 351354131 /nfs/dbraw/zinc/35/41/31/351354131.db2.gz BPEBSBDPAQZZBN-JTQLQIEISA-N 1 0 215.749 3.592 10 0 BHAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000034939247 351354488 /nfs/dbraw/zinc/35/44/88/351354488.db2.gz SMNFFPQEVVQGPT-LBPRGKRZSA-N 1 0 237.755 3.758 10 0 BHAERO [NH3+][C@@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000034939257 351354308 /nfs/dbraw/zinc/35/43/08/351354308.db2.gz FZOLLRZSDZTGGS-JTQLQIEISA-N 1 0 237.755 3.644 10 0 BHAERO [NH3+][C@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000034939258 351354746 /nfs/dbraw/zinc/35/47/46/351354746.db2.gz FZOLLRZSDZTGGS-SNVBAGLBSA-N 1 0 237.755 3.644 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000034939671 179201247 /nfs/dbraw/zinc/20/12/47/179201247.db2.gz DVHYMLHFUMBWQT-KRWDZBQOSA-N 1 0 237.346 3.532 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000034939672 179186091 /nfs/dbraw/zinc/18/60/91/179186091.db2.gz DVHYMLHFUMBWQT-QGZVFWFLSA-N 1 0 237.346 3.532 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939675 179343616 /nfs/dbraw/zinc/34/36/16/179343616.db2.gz DMQZHEKPWDGOQU-QGZVFWFLSA-N 1 0 237.346 3.532 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939676 179325154 /nfs/dbraw/zinc/32/51/54/179325154.db2.gz DMQZHEKPWDGOQU-KRWDZBQOSA-N 1 0 237.346 3.532 10 0 BHAERO Cc1cc([C@H]([NH3+])CCc2ccccc2)c(C)s1 ZINC000034940774 178261955 /nfs/dbraw/zinc/26/19/55/178261955.db2.gz HYHRBDCPPYIOJD-OAHLLOKOSA-N 1 0 245.391 3.998 10 0 BHAERO Cc1cc([C@@H]([NH3+])CCc2ccccc2)c(C)s1 ZINC000034940775 178235427 /nfs/dbraw/zinc/23/54/27/178235427.db2.gz HYHRBDCPPYIOJD-HNNXBMFYSA-N 1 0 245.391 3.998 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccccc2F)c(C)s1 ZINC000034940776 178262944 /nfs/dbraw/zinc/26/29/44/178262944.db2.gz KIZHCHFRUALPMI-CYBMUJFWSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccccc2F)c(C)s1 ZINC000034940777 178238086 /nfs/dbraw/zinc/23/80/86/178238086.db2.gz KIZHCHFRUALPMI-ZDUSSCGKSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(C)c(F)c2)c(C)s1 ZINC000034940780 178237922 /nfs/dbraw/zinc/23/79/22/178237922.db2.gz GUBHPUMLSXJVNJ-AWEZNQCLSA-N 1 0 249.354 3.861 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(C)c(F)c2)c(C)s1 ZINC000034940781 178262184 /nfs/dbraw/zinc/26/21/84/178262184.db2.gz GUBHPUMLSXJVNJ-CQSZACIVSA-N 1 0 249.354 3.861 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2ccc(F)cc2)c(C)s1 ZINC000034940782 178262255 /nfs/dbraw/zinc/26/22/55/178262255.db2.gz SIMCUVLFUDTDPC-CQSZACIVSA-N 1 0 249.354 3.747 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2ccc(F)cc2)c(C)s1 ZINC000034940783 178237979 /nfs/dbraw/zinc/23/79/79/178237979.db2.gz SIMCUVLFUDTDPC-AWEZNQCLSA-N 1 0 249.354 3.747 10 0 BHAERO Cc1cc([C@H]([NH3+])c2cccc(F)c2)c(C)s1 ZINC000034940784 178262556 /nfs/dbraw/zinc/26/25/56/178262556.db2.gz OTEAHPGTPMDZMJ-CYBMUJFWSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2cccc(F)c2)c(C)s1 ZINC000034940785 178237605 /nfs/dbraw/zinc/23/76/05/178237605.db2.gz OTEAHPGTPMDZMJ-ZDUSSCGKSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2cccc(C)c2)c(C)s1 ZINC000034940786 179200984 /nfs/dbraw/zinc/20/09/84/179200984.db2.gz YOJQQJIBNWMLKZ-AWEZNQCLSA-N 1 0 231.364 3.721 10 0 BHAERO Cc1cc([C@H]([NH3+])c2cccc(C)c2)c(C)s1 ZINC000034940787 179186280 /nfs/dbraw/zinc/18/62/80/179186280.db2.gz YOJQQJIBNWMLKZ-CQSZACIVSA-N 1 0 231.364 3.721 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(F)cc2)c(C)s1 ZINC000034940794 178262351 /nfs/dbraw/zinc/26/23/51/178262351.db2.gz WUQNNSFLYWTGSR-CYBMUJFWSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(F)cc2)c(C)s1 ZINC000034940795 178237354 /nfs/dbraw/zinc/23/73/54/178237354.db2.gz WUQNNSFLYWTGSR-ZDUSSCGKSA-N 1 0 235.327 3.552 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccccc2C)c(C)s1 ZINC000034940806 178237763 /nfs/dbraw/zinc/23/77/63/178237763.db2.gz ZESNTHIUKFVCHL-AWEZNQCLSA-N 1 0 231.364 3.721 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccccc2C)c(C)s1 ZINC000034940807 178262057 /nfs/dbraw/zinc/26/20/57/178262057.db2.gz ZESNTHIUKFVCHL-CQSZACIVSA-N 1 0 231.364 3.721 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(C)cc2)c(C)s1 ZINC000034940814 178908117 /nfs/dbraw/zinc/90/81/17/178908117.db2.gz KBYJWKIQADAKBB-AWEZNQCLSA-N 1 0 231.364 3.721 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2ccccc2)c(C)s1 ZINC000034940822 178262078 /nfs/dbraw/zinc/26/20/78/178262078.db2.gz YUTSQBWTUSDSSU-CQSZACIVSA-N 1 0 231.364 3.607 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2)c(C)s1 ZINC000034940823 178237220 /nfs/dbraw/zinc/23/72/20/178237220.db2.gz YUTSQBWTUSDSSU-AWEZNQCLSA-N 1 0 231.364 3.607 10 0 BHAERO CC(C)Oc1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000034956746 167301333 /nfs/dbraw/zinc/30/13/33/167301333.db2.gz CHSDMUIKXMHYJV-OAHLLOKOSA-N 1 0 233.355 3.664 10 0 BHAERO CC(C)Oc1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000034956747 167299954 /nfs/dbraw/zinc/29/99/54/167299954.db2.gz CHSDMUIKXMHYJV-HNNXBMFYSA-N 1 0 233.355 3.664 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@@H]1CCC[C@H](C)C1 ZINC000034958192 179343361 /nfs/dbraw/zinc/34/33/61/179343361.db2.gz GKJIPRVPOSDUPM-JGGQBBKZSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])CO[C@@H]1CCC[C@H](C)C1 ZINC000034958193 179324190 /nfs/dbraw/zinc/32/41/90/179324190.db2.gz GKJIPRVPOSDUPM-BJJXKVORSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@H]1CCC[C@H](C)C1 ZINC000034958194 179344138 /nfs/dbraw/zinc/34/41/38/179344138.db2.gz GKJIPRVPOSDUPM-DUVNUKRYSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])CO[C@H]1CCC[C@H](C)C1 ZINC000034958195 179324519 /nfs/dbraw/zinc/32/45/19/179324519.db2.gz GKJIPRVPOSDUPM-NOLJZWGESA-N 1 0 247.382 3.590 10 0 BHAERO C[C@H](O[C@H]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000034958224 177021774 /nfs/dbraw/zinc/02/17/74/177021774.db2.gz FKIXDYOUVWYXQY-VRKREXBASA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H](O[C@@H]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000034958226 177021542 /nfs/dbraw/zinc/02/15/42/177021542.db2.gz FKIXDYOUVWYXQY-CLWVCHIJSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H](O[C@@H]1CCC[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000034958227 177123468 /nfs/dbraw/zinc/12/34/68/177123468.db2.gz FKIXDYOUVWYXQY-UGQVUOCMSA-N 1 0 247.382 3.670 10 0 BHAERO Cc1ccc([C@H]([NH3+])CO[C@@H]2CCC[C@H](C)C2)cc1 ZINC000034958228 351364190 /nfs/dbraw/zinc/36/41/90/351364190.db2.gz RGSBODAMIGCRBJ-NUEKZKHPSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccc([C@H]([NH3+])CO[C@H]2CCC[C@H](C)C2)cc1 ZINC000034958230 351364673 /nfs/dbraw/zinc/36/46/73/351364673.db2.gz RGSBODAMIGCRBJ-CWRNSKLLSA-N 1 0 247.382 3.590 10 0 BHAERO COc1ccc([C@H]([NH3+])C2CCCC2)cc1Cl ZINC000034958750 175191294 /nfs/dbraw/zinc/19/12/94/175191294.db2.gz BZGIBTBYRFBSCB-CYBMUJFWSA-N 1 0 239.746 3.539 10 0 BHAERO COc1ccc([C@@H]([NH3+])C2CCCC2)cc1Cl ZINC000034958751 175179493 /nfs/dbraw/zinc/17/94/93/175179493.db2.gz BZGIBTBYRFBSCB-ZDUSSCGKSA-N 1 0 239.746 3.539 10 0 BHAERO Cc1ccc([C@H]([NH3+])c2cc(F)cc(F)c2)cc1C ZINC000034972084 351369870 /nfs/dbraw/zinc/36/98/70/351369870.db2.gz CDFTUXFUWFNLFX-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO COc1ccc2c(C)c([C@H]([NH3+])C(C)(C)C)oc2c1 ZINC000034972249 175203419 /nfs/dbraw/zinc/20/34/19/175203419.db2.gz VXCWHVBVCFMSIK-AWEZNQCLSA-N 1 0 247.338 3.796 10 0 BHAERO COc1ccc2c(C)c([C@@H]([NH3+])C(C)(C)C)oc2c1 ZINC000034972251 175203493 /nfs/dbraw/zinc/20/34/93/175203493.db2.gz VXCWHVBVCFMSIK-CQSZACIVSA-N 1 0 247.338 3.796 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000034972260 351370624 /nfs/dbraw/zinc/37/06/24/351370624.db2.gz NLPJYTDLMYYUEQ-LBPRGKRZSA-N 1 0 223.703 3.742 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000034972261 538955512 /nfs/dbraw/zinc/95/55/12/538955512.db2.gz NLPJYTDLMYYUEQ-GFCCVEGCSA-N 1 0 223.703 3.742 10 0 BHAERO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccccc1 ZINC000034972311 351370422 /nfs/dbraw/zinc/37/04/22/351370422.db2.gz RPYLGXFTESIKHR-OAHLLOKOSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccccc1 ZINC000034972312 351370756 /nfs/dbraw/zinc/37/07/56/351370756.db2.gz RPYLGXFTESIKHR-HNNXBMFYSA-N 1 0 237.302 3.789 10 0 BHAERO Cc1c2ccccc2oc1[C@H]([NH3+])C(C)(C)C ZINC000034972314 351370645 /nfs/dbraw/zinc/37/06/45/351370645.db2.gz HCIXZJKBYIEZHB-ZDUSSCGKSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1c2ccccc2oc1[C@@H]([NH3+])C(C)(C)C ZINC000034972316 351370685 /nfs/dbraw/zinc/37/06/85/351370685.db2.gz HCIXZJKBYIEZHB-CYBMUJFWSA-N 1 0 217.312 3.787 10 0 BHAERO COc1ccc2oc([C@H]([NH3+])C(C)(C)C)c(C)c2c1 ZINC000034972335 175232430 /nfs/dbraw/zinc/23/24/30/175232430.db2.gz MLLWDCMDMMSMHF-AWEZNQCLSA-N 1 0 247.338 3.796 10 0 BHAERO COc1ccc2oc([C@@H]([NH3+])C(C)(C)C)c(C)c2c1 ZINC000034972337 175231382 /nfs/dbraw/zinc/23/13/82/175231382.db2.gz MLLWDCMDMMSMHF-CQSZACIVSA-N 1 0 247.338 3.796 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1csc2ccccc21 ZINC000034973458 351371617 /nfs/dbraw/zinc/37/16/17/351371617.db2.gz XPKHXHJMQQOLDK-RNCFNFMXSA-N 1 0 219.353 3.947 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1csc2ccccc21 ZINC000034973460 351371738 /nfs/dbraw/zinc/37/17/38/351371738.db2.gz XPKHXHJMQQOLDK-ZANVPECISA-N 1 0 219.353 3.947 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1csc2ccccc21 ZINC000034973462 351371524 /nfs/dbraw/zinc/37/15/24/351371524.db2.gz XPKHXHJMQQOLDK-NOZJJQNGSA-N 1 0 219.353 3.947 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1csc2ccccc21 ZINC000034973464 351371614 /nfs/dbraw/zinc/37/16/14/351371614.db2.gz XPKHXHJMQQOLDK-TVQRCGJNSA-N 1 0 219.353 3.947 10 0 BHAERO [NH3+][C@H](c1csc2ccccc21)c1ccccc1 ZINC000034973473 351371576 /nfs/dbraw/zinc/37/15/76/351371576.db2.gz WPXFWYFSWITYNT-HNNXBMFYSA-N 1 0 239.343 3.949 10 0 BHAERO [NH3+][C@@H](c1csc2ccccc21)c1ccccc1 ZINC000034973475 351371557 /nfs/dbraw/zinc/37/15/57/351371557.db2.gz WPXFWYFSWITYNT-OAHLLOKOSA-N 1 0 239.343 3.949 10 0 BHAERO CC(C)C[C@H]([NH3+])c1csc2ccccc21 ZINC000034973481 351371779 /nfs/dbraw/zinc/37/17/79/351371779.db2.gz PRSGHECBFCPUGC-LBPRGKRZSA-N 1 0 219.353 3.947 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1csc2ccccc21 ZINC000034973483 351371350 /nfs/dbraw/zinc/37/13/50/351371350.db2.gz PRSGHECBFCPUGC-GFCCVEGCSA-N 1 0 219.353 3.947 10 0 BHAERO CC(C)[C@@H]([NH3+])c1csc2ccccc21 ZINC000034973508 167422975 /nfs/dbraw/zinc/42/29/75/167422975.db2.gz XFWYIYJLLJUDEY-GFCCVEGCSA-N 1 0 205.326 3.557 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1csc2ccccc21 ZINC000034973510 351371381 /nfs/dbraw/zinc/37/13/81/351371381.db2.gz JLPIBDVBIRCQGZ-GFCCVEGCSA-N 1 0 219.353 3.947 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1csc2ccccc21 ZINC000034973512 351371741 /nfs/dbraw/zinc/37/17/41/351371741.db2.gz JLPIBDVBIRCQGZ-LBPRGKRZSA-N 1 0 219.353 3.947 10 0 BHAERO [NH3+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000034974725 351369616 /nfs/dbraw/zinc/36/96/16/351369616.db2.gz MCYVGWYTHPHXDT-UHFFFAOYSA-N 1 0 223.728 3.527 10 0 BHAERO [NH3+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000034975335 387000407 /nfs/dbraw/zinc/00/04/07/387000407.db2.gz WPHSSWJCLLWKLJ-UHFFFAOYSA-N 1 0 242.105 3.712 10 0 BHAERO CCCCC1CCC(C[NH2+]CCC)CC1 ZINC000034977679 168632227 /nfs/dbraw/zinc/63/22/27/168632227.db2.gz VQHDLYALFOESHV-UHFFFAOYSA-N 1 0 211.393 3.983 10 0 BHAERO CCCCC1CCC(C[NH2+]C2CC2)CC1 ZINC000034977729 168632683 /nfs/dbraw/zinc/63/26/83/168632683.db2.gz PVQYTVWTVJTNSR-UHFFFAOYSA-N 1 0 209.377 3.735 10 0 BHAERO [NH3+][C@@H](c1csc2ccccc12)C1CCC1 ZINC000034978943 351369430 /nfs/dbraw/zinc/36/94/30/351369430.db2.gz CZKZTNVODBKQLU-CYBMUJFWSA-N 1 0 217.337 3.701 10 0 BHAERO [NH3+][C@H](c1csc2ccccc12)C1CCC1 ZINC000034978945 351369425 /nfs/dbraw/zinc/36/94/25/351369425.db2.gz CZKZTNVODBKQLU-ZDUSSCGKSA-N 1 0 217.337 3.701 10 0 BHAERO CCC[NH+](CCC)CC(=O)c1ccc(CC)cc1 ZINC000034989402 169147179 /nfs/dbraw/zinc/14/71/79/169147179.db2.gz SMXUVJSHZMHGDN-UHFFFAOYSA-N 1 0 247.382 3.554 10 0 BHAERO CCCC[NH+](CCCC)CC(=O)c1ccccc1 ZINC000034989447 520494040 /nfs/dbraw/zinc/49/40/40/520494040.db2.gz UXLNDYCNDRHFPH-UHFFFAOYSA-N 1 0 247.382 3.772 10 0 BHAERO CCC(CC)[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991225 168389241 /nfs/dbraw/zinc/38/92/41/168389241.db2.gz YKWKTEHSEATIGG-UHFFFAOYSA-N 1 0 246.398 3.565 10 0 BHAERO CCC[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000034991539 169370457 /nfs/dbraw/zinc/37/04/57/169370457.db2.gz NGRIFKGMFMQNQK-CYBMUJFWSA-N 1 0 235.371 3.752 10 0 BHAERO CCC[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000034991540 169493846 /nfs/dbraw/zinc/49/38/46/169493846.db2.gz NGRIFKGMFMQNQK-ZDUSSCGKSA-N 1 0 235.371 3.752 10 0 BHAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1C ZINC000034991723 178633873 /nfs/dbraw/zinc/63/38/73/178633873.db2.gz QLQIYMPAXPFTIR-BBRMVZONSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1C ZINC000034991724 178624166 /nfs/dbraw/zinc/62/41/66/178624166.db2.gz QLQIYMPAXPFTIR-CZUORRHYSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cc(C)c(C[NH2+][C@@H](C)C(C)C)cc1C ZINC000034992011 262721306 /nfs/dbraw/zinc/72/13/06/262721306.db2.gz UCHASVYQWMCALN-AWEZNQCLSA-N 1 0 219.372 3.746 10 0 BHAERO Cc1cc(C)c(C[NH2+][C@H](C)C(C)C)cc1C ZINC000034992012 387004972 /nfs/dbraw/zinc/00/49/72/387004972.db2.gz UCHASVYQWMCALN-CQSZACIVSA-N 1 0 219.372 3.746 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000034994654 636353896 /nfs/dbraw/zinc/35/38/96/636353896.db2.gz DJTHNTXTNSTFJI-RRFJBIMHSA-N 1 0 244.382 3.530 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC000034994656 636355106 /nfs/dbraw/zinc/35/51/06/636355106.db2.gz DJTHNTXTNSTFJI-RBSFLKMASA-N 1 0 244.382 3.530 10 0 BHAERO c1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC000034994657 183405976 /nfs/dbraw/zinc/40/59/76/183405976.db2.gz DJTHNTXTNSTFJI-KFWWJZLASA-N 1 0 244.382 3.530 10 0 BHAERO c1ccc2c(c1)CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000034994777 183445762 /nfs/dbraw/zinc/44/57/62/183445762.db2.gz BNDAQZSLLPZBDG-KRWDZBQOSA-N 1 0 243.394 3.714 10 0 BHAERO CCC[C@@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000034995452 169370797 /nfs/dbraw/zinc/37/07/97/169370797.db2.gz IVJJLROXLVSLSF-LLVKDONJSA-N 1 0 247.338 3.720 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995613 176081512 /nfs/dbraw/zinc/08/15/12/176081512.db2.gz BESAKSNRKSANHA-XYPHTWIQSA-N 1 0 243.394 3.712 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995614 177083488 /nfs/dbraw/zinc/08/34/88/177083488.db2.gz BESAKSNRKSANHA-XKQJLSEDSA-N 1 0 243.394 3.712 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995615 176089355 /nfs/dbraw/zinc/08/93/55/176089355.db2.gz BESAKSNRKSANHA-KBRIMQKVSA-N 1 0 243.394 3.712 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995616 177089663 /nfs/dbraw/zinc/08/96/63/177089663.db2.gz BESAKSNRKSANHA-IAOVAPTHSA-N 1 0 243.394 3.712 10 0 BHAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000034996129 262808456 /nfs/dbraw/zinc/80/84/56/262808456.db2.gz PPBWDTMZQCRSOK-IUODEOHRSA-N 1 0 249.423 3.966 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000034996130 262808625 /nfs/dbraw/zinc/80/86/25/262808625.db2.gz PPBWDTMZQCRSOK-SWLSCSKDSA-N 1 0 249.423 3.966 10 0 BHAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000034996131 387025133 /nfs/dbraw/zinc/02/51/33/387025133.db2.gz PPBWDTMZQCRSOK-DOMZBBRYSA-N 1 0 249.423 3.966 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000034996132 387024895 /nfs/dbraw/zinc/02/48/95/387024895.db2.gz PPBWDTMZQCRSOK-WFASDCNBSA-N 1 0 249.423 3.966 10 0 BHAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000035009760 177138475 /nfs/dbraw/zinc/13/84/75/177138475.db2.gz UHWOEWPMQBCGMT-RRQGHBQHSA-N 1 0 243.394 3.712 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1 ZINC000035009845 636366057 /nfs/dbraw/zinc/36/60/57/636366057.db2.gz OJDDATRFMZKGDS-GFCCVEGCSA-N 1 0 249.423 3.795 10 0 BHAERO CCc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1 ZINC000035009846 171838400 /nfs/dbraw/zinc/83/84/00/171838400.db2.gz OJDDATRFMZKGDS-LBPRGKRZSA-N 1 0 249.423 3.795 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000035012463 636369646 /nfs/dbraw/zinc/36/96/46/636369646.db2.gz GVAIVBBLGKXSAH-SPWCGHHHSA-N 1 0 221.388 3.733 10 0 BHAERO CCC(CC)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035012799 168360383 /nfs/dbraw/zinc/36/03/83/168360383.db2.gz ZXUPUTUNOSCHKO-UHFFFAOYSA-N 1 0 235.415 3.837 10 0 BHAERO CCc1oc2ccccc2c1C[NH2+][C@@H](C)C1CC1 ZINC000035017916 172112000 /nfs/dbraw/zinc/11/20/00/172112000.db2.gz VNRPOQHMQVORRV-NSHDSACASA-N 1 0 243.350 3.883 10 0 BHAERO CCc1oc2ccccc2c1C[NH2+][C@H](C)C1CC1 ZINC000035017918 172112019 /nfs/dbraw/zinc/11/20/19/172112019.db2.gz VNRPOQHMQVORRV-LLVKDONJSA-N 1 0 243.350 3.883 10 0 BHAERO CC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000035054999 352730654 /nfs/dbraw/zinc/73/06/54/352730654.db2.gz BINCIKLXDJJVIW-UHFFFAOYSA-N 1 0 238.545 3.756 10 0 BHAERO CCC[N@H+](Cc1cccc(N)c1)C1CCCCC1 ZINC000035064621 169175833 /nfs/dbraw/zinc/17/58/33/169175833.db2.gz NBDKSXPKJXZYAG-UHFFFAOYSA-N 1 0 246.398 3.814 10 0 BHAERO C[C@@H]1CC=C(c2ccccc2)C(NC(C)(C)C)=[NH+]1 ZINC000035068958 188098905 /nfs/dbraw/zinc/09/89/05/188098905.db2.gz JQLSKSZQUKHTJC-GFCCVEGCSA-N 1 0 242.366 3.649 10 0 BHAERO CC1=C(c2ccccc2)C(NC(C)(C)C)=[NH+]CC1 ZINC000035069044 168088207 /nfs/dbraw/zinc/08/82/07/168088207.db2.gz XVLSEDIIMGNTEV-UHFFFAOYSA-N 1 0 242.366 3.650 10 0 BHAERO Cc1cc([C@H]([NH3+])c2c(C)cc(C)cc2C)c(C)o1 ZINC000035081534 177871604 /nfs/dbraw/zinc/87/16/04/177871604.db2.gz VGTALYNBLLIDSF-INIZCTEOSA-N 1 0 243.350 3.870 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])c2ccoc2C)cc1 ZINC000035081645 169023582 /nfs/dbraw/zinc/02/35/82/169023582.db2.gz HIJIFHWUAUBMGR-INIZCTEOSA-N 1 0 243.350 3.979 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])c2ccoc2C)cc1 ZINC000035081646 169022423 /nfs/dbraw/zinc/02/24/23/169022423.db2.gz HIJIFHWUAUBMGR-MRXNPFEDSA-N 1 0 243.350 3.979 10 0 BHAERO CCCCc1ccc([C@H]([NH2+]C)C(C)C)cc1 ZINC000035117311 169023791 /nfs/dbraw/zinc/02/37/91/169023791.db2.gz IRODEWSYOSLLMD-OAHLLOKOSA-N 1 0 219.372 3.946 10 0 BHAERO CCCCc1ccc([C@@H]([NH2+]C)C(C)C)cc1 ZINC000035117313 169021569 /nfs/dbraw/zinc/02/15/69/169021569.db2.gz IRODEWSYOSLLMD-HNNXBMFYSA-N 1 0 219.372 3.946 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CC(C)(C)C1 ZINC000035121589 383832041 /nfs/dbraw/zinc/83/20/41/383832041.db2.gz DIGCNWOXEIQZBW-OLZOCXBDSA-N 1 0 235.371 3.627 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCc2ccco2)CC(C)(C)C1 ZINC000035121590 177369961 /nfs/dbraw/zinc/36/99/61/177369961.db2.gz DIGCNWOXEIQZBW-STQMWFEESA-N 1 0 235.371 3.627 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CC(C)(C)C1 ZINC000035121591 176375924 /nfs/dbraw/zinc/37/59/24/176375924.db2.gz DIGCNWOXEIQZBW-CHWSQXEVSA-N 1 0 235.371 3.627 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CC(C)(C)C1 ZINC000035121592 177331820 /nfs/dbraw/zinc/33/18/20/177331820.db2.gz DIGCNWOXEIQZBW-QWHCGFSZSA-N 1 0 235.371 3.627 10 0 BHAERO C[C@@H](c1cccs1)N1Cc2ccccc2C1=[NH2+] ZINC000035133703 176034755 /nfs/dbraw/zinc/03/47/55/176034755.db2.gz DLVRIRTZJIRQLQ-JTQLQIEISA-N 1 0 242.347 3.650 10 0 BHAERO C[C@H](c1cccs1)N1Cc2ccccc2C1=[NH2+] ZINC000035133704 177050697 /nfs/dbraw/zinc/05/06/97/177050697.db2.gz DLVRIRTZJIRQLQ-SNVBAGLBSA-N 1 0 242.347 3.650 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000035136351 384400886 /nfs/dbraw/zinc/40/08/86/384400886.db2.gz OGEZMQOYOWBKSV-MDZLAQPJSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000035136355 384401989 /nfs/dbraw/zinc/40/19/89/384401989.db2.gz OGEZMQOYOWBKSV-NTZNESFSSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)C1CC1 ZINC000035136423 384400776 /nfs/dbraw/zinc/40/07/76/384400776.db2.gz WGNLBOYULIIFHL-QMMMGPOBSA-N 1 0 244.165 3.882 10 0 BHAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)C1CC1 ZINC000035136425 384402287 /nfs/dbraw/zinc/40/22/87/384402287.db2.gz WGNLBOYULIIFHL-MRVPVSSYSA-N 1 0 244.165 3.882 10 0 BHAERO CCCCOc1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000035136440 387555118 /nfs/dbraw/zinc/55/51/18/387555118.db2.gz FCBKOVZBQSJHJQ-ZDUSSCGKSA-N 1 0 247.382 3.754 10 0 BHAERO CCCCOc1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000035136442 387555689 /nfs/dbraw/zinc/55/56/89/387555689.db2.gz FCBKOVZBQSJHJQ-CYBMUJFWSA-N 1 0 247.382 3.754 10 0 BHAERO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C1CC1 ZINC000035136483 322823085 /nfs/dbraw/zinc/82/30/85/322823085.db2.gz NZYCUKKYWKOCBY-QMMMGPOBSA-N 1 0 244.165 3.882 10 0 BHAERO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C1CC1 ZINC000035136485 384402316 /nfs/dbraw/zinc/40/23/16/384402316.db2.gz NZYCUKKYWKOCBY-MRVPVSSYSA-N 1 0 244.165 3.882 10 0 BHAERO C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CC1 ZINC000035136529 262839545 /nfs/dbraw/zinc/83/95/45/262839545.db2.gz JBCDHXDRHOVTPV-XGNXJENSSA-N 1 0 223.404 3.979 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CC1 ZINC000035136531 262839842 /nfs/dbraw/zinc/83/98/42/262839842.db2.gz JBCDHXDRHOVTPV-LMWSTFAQSA-N 1 0 223.404 3.979 10 0 BHAERO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035136590 176873627 /nfs/dbraw/zinc/87/36/27/176873627.db2.gz KMCRODYQOBSDSE-LBPRGKRZSA-N 1 0 231.383 3.872 10 0 BHAERO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035136592 387554839 /nfs/dbraw/zinc/55/48/39/387554839.db2.gz KMCRODYQOBSDSE-GFCCVEGCSA-N 1 0 231.383 3.872 10 0 BHAERO CCC1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000035136851 262839520 /nfs/dbraw/zinc/83/95/20/262839520.db2.gz DYSGMKHZACEXIP-HIFPTAJRSA-N 1 0 221.344 3.899 10 0 BHAERO CCC1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000035136852 387555267 /nfs/dbraw/zinc/55/52/67/387555267.db2.gz DYSGMKHZACEXIP-PNESKVBLSA-N 1 0 221.344 3.899 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161919 176080873 /nfs/dbraw/zinc/08/08/73/176080873.db2.gz DUHOWBUOIPEDAY-LUCZXWKPSA-N 1 0 247.426 3.979 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161920 177082947 /nfs/dbraw/zinc/08/29/47/177082947.db2.gz DUHOWBUOIPEDAY-OADHPXTJSA-N 1 0 247.426 3.979 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161921 176087279 /nfs/dbraw/zinc/08/72/79/176087279.db2.gz DUHOWBUOIPEDAY-NNKSGKNISA-N 1 0 247.426 3.979 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161922 177089003 /nfs/dbraw/zinc/08/90/03/177089003.db2.gz DUHOWBUOIPEDAY-MMLUDYIGSA-N 1 0 247.426 3.979 10 0 BHAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccco1 ZINC000035162153 176827121 /nfs/dbraw/zinc/82/71/21/176827121.db2.gz RWSZPCUZZWPVJL-BSTQEOMGSA-N 1 0 245.366 3.755 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000035162163 176142924 /nfs/dbraw/zinc/14/29/24/176142924.db2.gz LKASWCRYTNJEOR-LUCZXWKPSA-N 1 0 247.426 3.979 10 0 BHAERO C[C@H]1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000035162164 177135957 /nfs/dbraw/zinc/13/59/57/177135957.db2.gz LKASWCRYTNJEOR-OADHPXTJSA-N 1 0 247.426 3.979 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000035162165 176122451 /nfs/dbraw/zinc/12/24/51/176122451.db2.gz LKASWCRYTNJEOR-NNKSGKNISA-N 1 0 247.426 3.979 10 0 BHAERO C[C@H]1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000035162166 177122060 /nfs/dbraw/zinc/12/20/60/177122060.db2.gz LKASWCRYTNJEOR-MMLUDYIGSA-N 1 0 247.426 3.979 10 0 BHAERO [NH3+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000035186329 355873911 /nfs/dbraw/zinc/87/39/11/355873911.db2.gz XCLUVSBCPLOKRB-VIFPVBQESA-N 1 0 229.757 3.511 10 0 BHAERO [NH3+][C@H](c1cccs1)c1ccc(Cl)s1 ZINC000035186330 355873933 /nfs/dbraw/zinc/87/39/33/355873933.db2.gz XCLUVSBCPLOKRB-SECBINFHSA-N 1 0 229.757 3.511 10 0 BHAERO Cc1cc(NCc2ccncc2)c2ccccc2[nH+]1 ZINC000035206347 178174180 /nfs/dbraw/zinc/17/41/80/178174180.db2.gz PZCRHUYTVBBLLJ-UHFFFAOYSA-N 1 0 249.317 3.550 10 0 BHAERO Cc1cc(N[C@H](C)C(C)C)c2ccccc2[nH+]1 ZINC000035206391 178184140 /nfs/dbraw/zinc/18/41/40/178184140.db2.gz XUQACFGMKUBHAF-GFCCVEGCSA-N 1 0 228.339 4.000 10 0 BHAERO Cc1cc(N[C@H](C)C2CC2)c2ccccc2[nH+]1 ZINC000035206737 178184349 /nfs/dbraw/zinc/18/43/49/178184349.db2.gz XGRMCZWZAZKOAD-LLVKDONJSA-N 1 0 226.323 3.754 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000035257035 711842192 /nfs/dbraw/zinc/84/21/92/711842192.db2.gz IJIBWACYJXGMCN-CVEARBPZSA-N 1 0 231.383 3.788 10 0 BHAERO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000035257036 711842252 /nfs/dbraw/zinc/84/22/52/711842252.db2.gz IJIBWACYJXGMCN-HOTGVXAUSA-N 1 0 231.383 3.788 10 0 BHAERO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000035257037 711842149 /nfs/dbraw/zinc/84/21/49/711842149.db2.gz IJIBWACYJXGMCN-HZPDHXFCSA-N 1 0 231.383 3.788 10 0 BHAERO CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000035257038 711842210 /nfs/dbraw/zinc/84/22/10/711842210.db2.gz IJIBWACYJXGMCN-JKSUJKDBSA-N 1 0 231.383 3.788 10 0 BHAERO CC(C)(C)CC(C)(C)[NH2+]C1CCSCC1 ZINC000035257315 343290952 /nfs/dbraw/zinc/29/09/52/343290952.db2.gz BNDXSNFFBQOZET-UHFFFAOYSA-N 1 0 229.433 3.686 10 0 BHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000035258295 357974053 /nfs/dbraw/zinc/97/40/53/357974053.db2.gz APOMODZCMXTBHQ-MNOVXSKESA-N 1 0 235.293 3.640 10 0 BHAERO CCC(C)(C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035287094 168298152 /nfs/dbraw/zinc/29/81/52/168298152.db2.gz RGVQPCSOKGXRKS-GFCCVEGCSA-N 1 0 248.395 3.609 10 0 BHAERO CCC(C)(C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035287095 168298421 /nfs/dbraw/zinc/29/84/21/168298421.db2.gz RGVQPCSOKGXRKS-LBPRGKRZSA-N 1 0 248.395 3.609 10 0 BHAERO CCC(CC)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035294224 168387183 /nfs/dbraw/zinc/38/71/83/168387183.db2.gz KIAFFUFUFZCUBV-CYBMUJFWSA-N 1 0 248.395 3.609 10 0 BHAERO CCC(CC)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035294225 168387502 /nfs/dbraw/zinc/38/75/02/168387502.db2.gz KIAFFUFUFZCUBV-ZDUSSCGKSA-N 1 0 248.395 3.609 10 0 BHAERO CCC[C@@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035294385 169369232 /nfs/dbraw/zinc/36/92/32/169369232.db2.gz HFEQWSBZPDSESV-DGCLKSJQSA-N 1 0 248.395 3.609 10 0 BHAERO CCC[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035294387 169369175 /nfs/dbraw/zinc/36/91/75/169369175.db2.gz HFEQWSBZPDSESV-YPMHNXCESA-N 1 0 248.395 3.609 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)cc2)c(C)o1 ZINC000035379557 178262721 /nfs/dbraw/zinc/26/27/21/178262721.db2.gz SPNRKVSASNMLSB-CYBMUJFWSA-N 1 0 235.714 3.598 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)cc2)c(C)o1 ZINC000035379558 178238115 /nfs/dbraw/zinc/23/81/15/178238115.db2.gz SPNRKVSASNMLSB-ZDUSSCGKSA-N 1 0 235.714 3.598 10 0 BHAERO Cc1ccc([C@H]([NH3+])c2c(C)cc(C)cc2C)o1 ZINC000035380159 177871517 /nfs/dbraw/zinc/87/15/17/177871517.db2.gz FFPPLVLVSOOAAJ-HNNXBMFYSA-N 1 0 229.323 3.561 10 0 BHAERO Cc1occc1[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000035380188 177871992 /nfs/dbraw/zinc/87/19/92/177871992.db2.gz JTWOABJMQRXUNG-HNNXBMFYSA-N 1 0 229.323 3.561 10 0 BHAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccco2)cc1 ZINC000035380518 187258284 /nfs/dbraw/zinc/25/82/84/187258284.db2.gz VUHPQFNXNFNLRQ-AWEZNQCLSA-N 1 0 229.323 3.625 10 0 BHAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccoc2)cc1 ZINC000035380524 188285546 /nfs/dbraw/zinc/28/55/46/188285546.db2.gz PQKDWZKEIOYDGE-AWEZNQCLSA-N 1 0 229.323 3.625 10 0 BHAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccoc2)cc1 ZINC000035380527 188111353 /nfs/dbraw/zinc/11/13/53/188111353.db2.gz PQKDWZKEIOYDGE-CQSZACIVSA-N 1 0 229.323 3.625 10 0 BHAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccsc2)cc1 ZINC000035380753 188285539 /nfs/dbraw/zinc/28/55/39/188285539.db2.gz LSHGUOHAYLPUJA-HNNXBMFYSA-N 1 0 245.391 3.995 10 0 BHAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccoc2)cc1 ZINC000035380760 188111885 /nfs/dbraw/zinc/11/18/85/188111885.db2.gz DYMDALCHAYGVQO-HNNXBMFYSA-N 1 0 229.323 3.526 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])c2ccco2)cc1 ZINC000035380778 169022977 /nfs/dbraw/zinc/02/29/77/169022977.db2.gz VKMASQIKBOIYOG-HNNXBMFYSA-N 1 0 229.323 3.670 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])c2ccco2)cc1 ZINC000035380779 169022311 /nfs/dbraw/zinc/02/23/11/169022311.db2.gz VKMASQIKBOIYOG-OAHLLOKOSA-N 1 0 229.323 3.670 10 0 BHAERO CCCCc1ccc([C@H]([NH3+])c2ccoc2)cc1 ZINC000035380781 169023809 /nfs/dbraw/zinc/02/38/09/169023809.db2.gz GXJJXLJKACTFGN-HNNXBMFYSA-N 1 0 229.323 3.670 10 0 BHAERO CCCCc1ccc([C@@H]([NH3+])c2ccoc2)cc1 ZINC000035380782 169021772 /nfs/dbraw/zinc/02/17/72/169021772.db2.gz GXJJXLJKACTFGN-OAHLLOKOSA-N 1 0 229.323 3.670 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(C)cc2C)c(C)o1 ZINC000035381012 178861730 /nfs/dbraw/zinc/86/17/30/178861730.db2.gz XVVUCPZPORCNCW-OAHLLOKOSA-N 1 0 229.323 3.561 10 0 BHAERO [NH3+][C@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035381234 357211597 /nfs/dbraw/zinc/21/15/97/357211597.db2.gz IEYBMCLDBBHPSY-SECBINFHSA-N 1 0 229.757 3.511 10 0 BHAERO [NH3+][C@@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035381236 181568002 /nfs/dbraw/zinc/56/80/02/181568002.db2.gz IEYBMCLDBBHPSY-VIFPVBQESA-N 1 0 229.757 3.511 10 0 BHAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)s2)s1 ZINC000035381244 357211656 /nfs/dbraw/zinc/21/16/56/357211656.db2.gz CRZWUWKOHOTBLK-JTQLQIEISA-N 1 0 243.784 3.820 10 0 BHAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)s1 ZINC000035381246 357211188 /nfs/dbraw/zinc/21/11/88/357211188.db2.gz CRZWUWKOHOTBLK-SNVBAGLBSA-N 1 0 243.784 3.820 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)s2)c(C)o1 ZINC000035381255 178262578 /nfs/dbraw/zinc/26/25/78/178262578.db2.gz HNFFFCKXVJXBHA-NSHDSACASA-N 1 0 241.743 3.659 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)s2)c(C)o1 ZINC000035381256 178237387 /nfs/dbraw/zinc/23/73/87/178237387.db2.gz HNFFFCKXVJXBHA-LLVKDONJSA-N 1 0 241.743 3.659 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2sccc2C)c(C)s1 ZINC000035381398 178237463 /nfs/dbraw/zinc/23/74/63/178237463.db2.gz DPARFNCRHOJSSM-LLVKDONJSA-N 1 0 237.393 3.783 10 0 BHAERO Cc1cc([C@H]([NH3+])c2sccc2C)c(C)s1 ZINC000035381399 178262270 /nfs/dbraw/zinc/26/22/70/178262270.db2.gz DPARFNCRHOJSSM-NSHDSACASA-N 1 0 237.393 3.783 10 0 BHAERO Cc1cc([C@H]([NH3+])c2cc(C)sc2C)c(C)o1 ZINC000035381410 178262322 /nfs/dbraw/zinc/26/23/22/178262322.db2.gz YHVJSOBPRQSHNJ-ZDUSSCGKSA-N 1 0 235.352 3.623 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2cc(C)sc2C)c(C)o1 ZINC000035381412 178238118 /nfs/dbraw/zinc/23/81/18/178238118.db2.gz YHVJSOBPRQSHNJ-CYBMUJFWSA-N 1 0 235.352 3.623 10 0 BHAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccsc2)cc1 ZINC000035381438 167301599 /nfs/dbraw/zinc/30/15/99/167301599.db2.gz DOVSYRTZFQVILU-AWEZNQCLSA-N 1 0 247.363 3.583 10 0 BHAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccsc2)cc1 ZINC000035381439 167299958 /nfs/dbraw/zinc/29/99/58/167299958.db2.gz DOVSYRTZFQVILU-CQSZACIVSA-N 1 0 247.363 3.583 10 0 BHAERO CC(C)Oc1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000035381455 167301097 /nfs/dbraw/zinc/30/10/97/167301097.db2.gz SZFOMQLDLDSWJC-AWEZNQCLSA-N 1 0 247.363 3.583 10 0 BHAERO CC(C)Oc1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000035381457 167298645 /nfs/dbraw/zinc/29/86/45/167298645.db2.gz SZFOMQLDLDSWJC-CQSZACIVSA-N 1 0 247.363 3.583 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(C)c(C)c2)c(C)o1 ZINC000035381764 178236965 /nfs/dbraw/zinc/23/69/65/178236965.db2.gz GUWPXXGPSFBMRE-HNNXBMFYSA-N 1 0 229.323 3.561 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(C)c(C)c2)c(C)o1 ZINC000035381766 178262439 /nfs/dbraw/zinc/26/24/39/178262439.db2.gz GUWPXXGPSFBMRE-OAHLLOKOSA-N 1 0 229.323 3.561 10 0 BHAERO [NH3+][C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035382458 357211212 /nfs/dbraw/zinc/21/12/12/357211212.db2.gz FFTLXQWBFDMQJW-QMMMGPOBSA-N 1 0 248.134 3.696 10 0 BHAERO [NH3+][C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035382460 357211331 /nfs/dbraw/zinc/21/13/31/357211331.db2.gz FFTLXQWBFDMQJW-MRVPVSSYSA-N 1 0 248.134 3.696 10 0 BHAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000035411260 169009581 /nfs/dbraw/zinc/00/95/81/169009581.db2.gz JQWBCJPARKDPSD-LBPRGKRZSA-N 1 0 243.354 3.561 10 0 BHAERO CCCOc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427320 169313703 /nfs/dbraw/zinc/31/37/03/169313703.db2.gz YDAIBNSIMDLXLR-LLVKDONJSA-N 1 0 229.323 3.648 10 0 BHAERO CCCOc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427322 169313582 /nfs/dbraw/zinc/31/35/82/169313582.db2.gz YDAIBNSIMDLXLR-NSHDSACASA-N 1 0 229.323 3.648 10 0 BHAERO CC(C)Oc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427363 167283810 /nfs/dbraw/zinc/28/38/10/167283810.db2.gz RZLGSGNNMSHUSM-LLVKDONJSA-N 1 0 229.323 3.647 10 0 BHAERO CC(C)Oc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427365 167283947 /nfs/dbraw/zinc/28/39/47/167283947.db2.gz RZLGSGNNMSHUSM-NSHDSACASA-N 1 0 229.323 3.647 10 0 BHAERO CCCOc1c2ccccc2ccc1[C@@H](C)[NH2+]C ZINC000035427462 169313688 /nfs/dbraw/zinc/31/36/88/169313688.db2.gz MLYICNNTWHWKRB-GFCCVEGCSA-N 1 0 243.350 3.909 10 0 BHAERO CCCOc1c2ccccc2ccc1[C@H](C)[NH2+]C ZINC000035427464 169314090 /nfs/dbraw/zinc/31/40/90/169314090.db2.gz MLYICNNTWHWKRB-LBPRGKRZSA-N 1 0 243.350 3.909 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc2ccccc2c1OC ZINC000035427556 170141785 /nfs/dbraw/zinc/14/17/85/170141785.db2.gz IKDBBWDCPPCZFS-NSHDSACASA-N 1 0 229.323 3.519 10 0 BHAERO CC[NH2+][C@H](C)c1ccc2ccccc2c1OC ZINC000035427557 170158948 /nfs/dbraw/zinc/15/89/48/170158948.db2.gz IKDBBWDCPPCZFS-LLVKDONJSA-N 1 0 229.323 3.519 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccc2ccccc2c1OC ZINC000035427659 169277355 /nfs/dbraw/zinc/27/73/55/169277355.db2.gz PDEXRNATMRKVJH-LBPRGKRZSA-N 1 0 243.350 3.909 10 0 BHAERO CCC[NH2+][C@H](C)c1ccc2ccccc2c1OC ZINC000035427660 169286701 /nfs/dbraw/zinc/28/67/01/169286701.db2.gz PDEXRNATMRKVJH-GFCCVEGCSA-N 1 0 243.350 3.909 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCCC[C@H]1C ZINC000035438987 187258423 /nfs/dbraw/zinc/25/84/23/187258423.db2.gz ARWVLDQXBORYHT-BZPMIXESSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCCC[C@H]2C)cc1 ZINC000035439001 175817685 /nfs/dbraw/zinc/81/76/85/175817685.db2.gz HCMSMOJVEQETRS-JMSVASOKSA-N 1 0 233.355 3.664 10 0 BHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCCC[C@H]2C)cc1 ZINC000035439004 175817512 /nfs/dbraw/zinc/81/75/12/175817512.db2.gz HCMSMOJVEQETRS-LALPHHSUSA-N 1 0 233.355 3.664 10 0 BHAERO C[NH2+][C@@H](c1cccc(F)c1)c1ccc(C)c(C)c1 ZINC000035457581 173429049 /nfs/dbraw/zinc/42/90/49/173429049.db2.gz MNTCHZWMEKUAGU-INIZCTEOSA-N 1 0 243.325 3.751 10 0 BHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(C)c(C)c1 ZINC000035457682 173456583 /nfs/dbraw/zinc/45/65/83/173456583.db2.gz HQXIKVQJWGKIEN-MRXNPFEDSA-N 1 0 243.325 3.751 10 0 BHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)s1 ZINC000035458760 173453275 /nfs/dbraw/zinc/45/32/75/173453275.db2.gz MOMWRZXJOKAHOW-CQSZACIVSA-N 1 0 245.391 3.868 10 0 BHAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(C)s1 ZINC000035459009 173454595 /nfs/dbraw/zinc/45/45/95/173454595.db2.gz OOYHWWZLZFWKIY-CQSZACIVSA-N 1 0 245.391 3.868 10 0 BHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(C)s1 ZINC000035459191 173425264 /nfs/dbraw/zinc/42/52/64/173425264.db2.gz NGEIRGFQNRZMPA-ZDUSSCGKSA-N 1 0 249.354 3.699 10 0 BHAERO C[NH2+][C@@H](c1ccc(C)s1)C1CCCC1 ZINC000035459320 357249489 /nfs/dbraw/zinc/24/94/89/357249489.db2.gz LPXYQXKPZOWXAA-GFCCVEGCSA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@H](c1ccc(C)s1)C1CCCC1 ZINC000035459321 357249618 /nfs/dbraw/zinc/24/96/18/357249618.db2.gz LPXYQXKPZOWXAA-LBPRGKRZSA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CCC1 ZINC000035459876 173455843 /nfs/dbraw/zinc/45/58/43/173455843.db2.gz WTGOMBFOWCOXAX-INIZCTEOSA-N 1 0 231.383 3.946 10 0 BHAERO C[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@H]1C[C@H]1C ZINC000035459890 173455585 /nfs/dbraw/zinc/45/55/85/173455585.db2.gz ARZVYSJWDAIUBQ-UHOFOFEASA-N 1 0 231.383 3.802 10 0 BHAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460240 171398933 /nfs/dbraw/zinc/39/89/33/171398933.db2.gz JRFPCENSLFFPRM-LRDDRELGSA-N 1 0 231.383 3.872 10 0 BHAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460245 171373385 /nfs/dbraw/zinc/37/33/85/171373385.db2.gz JRFPCENSLFFPRM-BLLLJJGKSA-N 1 0 231.383 3.872 10 0 BHAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2F)s1 ZINC000035460995 171834989 /nfs/dbraw/zinc/83/49/89/171834989.db2.gz SBAOBPAHCXZCHL-AWEZNQCLSA-N 1 0 249.354 3.758 10 0 BHAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(F)c2)s1 ZINC000035461022 171835240 /nfs/dbraw/zinc/83/52/40/171835240.db2.gz VVZNPOOITJXPDV-AWEZNQCLSA-N 1 0 249.354 3.758 10 0 BHAERO CCc1ccc([C@H](Cc2ccccc2)[NH2+]C)s1 ZINC000035461287 171842447 /nfs/dbraw/zinc/84/24/47/171842447.db2.gz CXQOPTVUPOEJGL-AWEZNQCLSA-N 1 0 245.391 3.814 10 0 BHAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(F)cc1 ZINC000035463571 173424980 /nfs/dbraw/zinc/42/49/80/173424980.db2.gz BIDOYPMJUWXEHE-INIZCTEOSA-N 1 0 243.325 3.637 10 0 BHAERO CCCCC[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463619 357251934 /nfs/dbraw/zinc/25/19/34/357251934.db2.gz VSXQQVJAVWOGDH-ZDUSSCGKSA-N 1 0 209.308 3.667 10 0 BHAERO CCCCC[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463621 357252068 /nfs/dbraw/zinc/25/20/68/357252068.db2.gz VSXQQVJAVWOGDH-CYBMUJFWSA-N 1 0 209.308 3.667 10 0 BHAERO C[NH2+][C@@H](CCC(C)C)c1ccc(F)cc1 ZINC000035463653 357251899 /nfs/dbraw/zinc/25/18/99/357251899.db2.gz JPIFCSUXMCUYBH-ZDUSSCGKSA-N 1 0 209.308 3.522 10 0 BHAERO C[NH2+][C@H](CCC(C)C)c1ccc(F)cc1 ZINC000035463655 357252024 /nfs/dbraw/zinc/25/20/24/357252024.db2.gz JPIFCSUXMCUYBH-CYBMUJFWSA-N 1 0 209.308 3.522 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000035464533 173457077 /nfs/dbraw/zinc/45/70/77/173457077.db2.gz WINVVDVWNLHERE-CQSZACIVSA-N 1 0 249.716 3.788 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(C)c1 ZINC000035464573 173427106 /nfs/dbraw/zinc/42/71/06/173427106.db2.gz PIPACRBTGWBLNP-HNNXBMFYSA-N 1 0 245.753 3.957 10 0 BHAERO C[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000035464768 173454610 /nfs/dbraw/zinc/45/46/10/173454610.db2.gz NFUZYBDAMHLLRR-OAHLLOKOSA-N 1 0 245.753 3.843 10 0 BHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035464882 173424894 /nfs/dbraw/zinc/42/48/94/173424894.db2.gz CGIJQTKISIFJAO-HNNXBMFYSA-N 1 0 245.753 3.843 10 0 BHAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2)cc1 ZINC000035465037 171835004 /nfs/dbraw/zinc/83/50/04/171835004.db2.gz HJOQGCKQSOHRMR-INIZCTEOSA-N 1 0 225.335 3.558 10 0 BHAERO CCCCC[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465633 357252442 /nfs/dbraw/zinc/25/24/42/357252442.db2.gz BTPSTJLYEFVSPI-AWEZNQCLSA-N 1 0 221.344 3.536 10 0 BHAERO CCCCC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465635 357252266 /nfs/dbraw/zinc/25/22/66/357252266.db2.gz BTPSTJLYEFVSPI-CQSZACIVSA-N 1 0 221.344 3.536 10 0 BHAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(OC)cc1 ZINC000035465815 173451683 /nfs/dbraw/zinc/45/16/83/173451683.db2.gz OQEIIJOYCDFUDB-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)cc2)cc1 ZINC000035466197 171843516 /nfs/dbraw/zinc/84/35/16/171843516.db2.gz VUWNDGPEOKDGFA-QGZVFWFLSA-N 1 0 239.362 3.866 10 0 BHAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(C)cc1 ZINC000035466218 173425722 /nfs/dbraw/zinc/42/57/22/173425722.db2.gz STLUCWLPPOOSDG-KRWDZBQOSA-N 1 0 239.362 3.807 10 0 BHAERO C[NH2+][C@H](c1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000035466240 173455595 /nfs/dbraw/zinc/45/55/95/173455595.db2.gz MGSCFOUQDDTXHK-OAHLLOKOSA-N 1 0 247.288 3.582 10 0 BHAERO C[NH2+][C@H](c1ccc(C)cc1)c1c(F)cccc1F ZINC000035466250 173456322 /nfs/dbraw/zinc/45/63/22/173456322.db2.gz FYRQLSKUXAXPMP-OAHLLOKOSA-N 1 0 247.288 3.582 10 0 BHAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cc(C)cc(C)c1 ZINC000035466263 173427319 /nfs/dbraw/zinc/42/73/19/173427319.db2.gz NLHCKUNYDZKJAQ-KRWDZBQOSA-N 1 0 239.362 3.921 10 0 BHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000035466283 173454564 /nfs/dbraw/zinc/45/45/64/173454564.db2.gz AAQLZBBNBKWQLQ-MRXNPFEDSA-N 1 0 243.325 3.637 10 0 BHAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035466305 173427895 /nfs/dbraw/zinc/42/78/95/173427895.db2.gz NVZJYZAKGFNQOY-HNNXBMFYSA-N 1 0 245.753 3.957 10 0 BHAERO C[NH2+][C@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035466306 173455772 /nfs/dbraw/zinc/45/57/72/173455772.db2.gz NVZJYZAKGFNQOY-OAHLLOKOSA-N 1 0 245.753 3.957 10 0 BHAERO C[NH2+]C(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000035466341 173320803 /nfs/dbraw/zinc/32/08/03/173320803.db2.gz FIDIPUCYGVMJIY-UHFFFAOYSA-N 1 0 225.335 3.612 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OCC)cc1 ZINC000035466440 169373477 /nfs/dbraw/zinc/37/34/77/169373477.db2.gz FTNOPODTMNZZCU-DOMZBBRYSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OCC)cc1 ZINC000035466442 169372559 /nfs/dbraw/zinc/37/25/59/169372559.db2.gz FTNOPODTMNZZCU-IUODEOHRSA-N 1 0 235.371 3.782 10 0 BHAERO CCOc1ccc([C@H]([NH2+]C)C2CCCC2)cc1 ZINC000035466560 170564137 /nfs/dbraw/zinc/56/41/37/170564137.db2.gz DNURJUYNSYEYNV-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO C[NH2+][C@H](c1sccc1C)c1ccc(C)cc1C ZINC000035468014 173427313 /nfs/dbraw/zinc/42/73/13/173427313.db2.gz AQARYOGNNJDOQN-AWEZNQCLSA-N 1 0 245.391 3.982 10 0 BHAERO C[NH2+][C@H](c1ccoc1C)c1ccc(C)cc1C ZINC000035468029 173427451 /nfs/dbraw/zinc/42/74/51/173427451.db2.gz NDZKOTXGNNJZKG-HNNXBMFYSA-N 1 0 229.323 3.514 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1C ZINC000035468394 169373181 /nfs/dbraw/zinc/37/31/81/169373181.db2.gz GITOUQLCJJBBRF-ABAIWWIYSA-N 1 0 235.371 3.700 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1C ZINC000035468396 169372384 /nfs/dbraw/zinc/37/23/84/169372384.db2.gz GITOUQLCJJBBRF-IAQYHMDHSA-N 1 0 235.371 3.700 10 0 BHAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1C ZINC000035468399 173422681 /nfs/dbraw/zinc/42/26/81/173422681.db2.gz LBAKVROLQNFXKX-HNNXBMFYSA-N 1 0 235.371 3.700 10 0 BHAERO C[NH2+][C@H](c1ccccc1C)c1cc(F)ccc1F ZINC000035468803 173458110 /nfs/dbraw/zinc/45/81/10/173458110.db2.gz RRRWOGRTIDSKIK-OAHLLOKOSA-N 1 0 247.288 3.582 10 0 BHAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)[C@@H]2CCCO2)cc1 ZINC000035469207 171411494 /nfs/dbraw/zinc/41/14/94/171411494.db2.gz AVUBRYLJYPWUSO-VBNZEHGJSA-N 1 0 247.382 3.640 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1c(F)cc(F)cc1F ZINC000035469454 169372348 /nfs/dbraw/zinc/37/23/48/169372348.db2.gz KATUZJXSXPWERQ-AMIZOPFISA-N 1 0 245.288 3.801 10 0 BHAERO C[NH2+][C@@H](c1cccs1)c1c(C)cc(C)cc1C ZINC000035488070 173429024 /nfs/dbraw/zinc/42/90/24/173429024.db2.gz SWDUNVXRQSQDDE-HNNXBMFYSA-N 1 0 245.391 3.982 10 0 BHAERO C[NH2+][C@@H](c1cccs1)C1CCCCC1 ZINC000035488141 357402684 /nfs/dbraw/zinc/40/26/84/357402684.db2.gz QFWUDKQAAMUUSF-GFCCVEGCSA-N 1 0 209.358 3.589 10 0 BHAERO C[NH2+][C@H](c1cccs1)C1CCCCC1 ZINC000035488143 357402632 /nfs/dbraw/zinc/40/26/32/357402632.db2.gz QFWUDKQAAMUUSF-LBPRGKRZSA-N 1 0 209.358 3.589 10 0 BHAERO C[NH2+][C@H](c1ccccc1C)c1cc(C)ccc1C ZINC000035490039 173457368 /nfs/dbraw/zinc/45/73/68/173457368.db2.gz YMXUGYCLFNBIHY-QGZVFWFLSA-N 1 0 239.362 3.921 10 0 BHAERO C[NH2+][C@@H](C)c1ccc2[nH]c3ccccc3c2c1 ZINC000035490709 173418948 /nfs/dbraw/zinc/41/89/48/173418948.db2.gz AWUNFUVPRWRZMT-JTQLQIEISA-N 1 0 224.307 3.602 10 0 BHAERO C[NH2+][C@H](c1ccoc1)c1c(C)c(C)cc(C)c1C ZINC000035490873 173458873 /nfs/dbraw/zinc/45/88/73/173458873.db2.gz SNRYTSDNKPXRQV-MRXNPFEDSA-N 1 0 243.350 3.822 10 0 BHAERO C[NH2+][C@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035492221 173458920 /nfs/dbraw/zinc/45/89/20/173458920.db2.gz GVLWSOUDPKITNP-OAHLLOKOSA-N 1 0 229.323 3.514 10 0 BHAERO C[NH2+][C@H](c1ccoc1C)c1c(C)cc(C)cc1C ZINC000035492264 173458486 /nfs/dbraw/zinc/45/84/86/173458486.db2.gz OLJYDHXNKWOUAF-MRXNPFEDSA-N 1 0 243.350 3.822 10 0 BHAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)C(C)C ZINC000035492321 173426374 /nfs/dbraw/zinc/42/63/74/173426374.db2.gz MLBXHUQBOYFPFB-CQSZACIVSA-N 1 0 205.345 3.528 10 0 BHAERO C[NH2+][C@H](c1c(C)cc(C)cc1C)C(C)C ZINC000035492324 173455269 /nfs/dbraw/zinc/45/52/69/173455269.db2.gz MLBXHUQBOYFPFB-AWEZNQCLSA-N 1 0 205.345 3.528 10 0 BHAERO CCCCc1ccc([C@H]([NH2+]C)c2ccco2)cc1 ZINC000035492808 169023537 /nfs/dbraw/zinc/02/35/37/169023537.db2.gz DPFHTSARFAOYHP-INIZCTEOSA-N 1 0 243.350 3.931 10 0 BHAERO CCCCc1ccc([C@@H]([NH2+]C)c2ccco2)cc1 ZINC000035492811 169022026 /nfs/dbraw/zinc/02/20/26/169022026.db2.gz DPFHTSARFAOYHP-MRXNPFEDSA-N 1 0 243.350 3.931 10 0 BHAERO CCCCc1ccc([C@H]([NH2+]C)c2ccoc2)cc1 ZINC000035492814 169022851 /nfs/dbraw/zinc/02/28/51/169022851.db2.gz MWAJPMIAXUHJTB-INIZCTEOSA-N 1 0 243.350 3.931 10 0 BHAERO CCCCc1ccc([C@@H]([NH2+]C)c2ccoc2)cc1 ZINC000035492816 169022370 /nfs/dbraw/zinc/02/23/70/169022370.db2.gz MWAJPMIAXUHJTB-MRXNPFEDSA-N 1 0 243.350 3.931 10 0 BHAERO CCCCc1ccc([C@H]([NH2+]C)[C@@H]2C[C@@H]2C)cc1 ZINC000035493290 169023003 /nfs/dbraw/zinc/02/30/03/169023003.db2.gz DJRNDXAMZXLJON-MAZHCROVSA-N 1 0 231.383 3.946 10 0 BHAERO CCCCc1ccc([C@@H]([NH2+]C)[C@@H]2C[C@@H]2C)cc1 ZINC000035493292 169021965 /nfs/dbraw/zinc/02/19/65/169021965.db2.gz DJRNDXAMZXLJON-APHBMKBZSA-N 1 0 231.383 3.946 10 0 BHAERO CCCCc1ccc([C@H]([NH2+]C)[C@H]2C[C@@H]2C)cc1 ZINC000035493294 169023779 /nfs/dbraw/zinc/02/37/79/169023779.db2.gz DJRNDXAMZXLJON-RCBQFDQVSA-N 1 0 231.383 3.946 10 0 BHAERO CCCCc1ccc([C@@H]([NH2+]C)[C@H]2C[C@@H]2C)cc1 ZINC000035493297 169021553 /nfs/dbraw/zinc/02/15/53/169021553.db2.gz DJRNDXAMZXLJON-VBNZEHGJSA-N 1 0 231.383 3.946 10 0 BHAERO C[NH2+][C@H](c1ccoc1)c1ccc(C(C)(C)C)cc1 ZINC000035493360 173427401 /nfs/dbraw/zinc/42/74/01/173427401.db2.gz GXULFBJAQUSHOV-HNNXBMFYSA-N 1 0 243.350 3.886 10 0 BHAERO C[NH2+][C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H]1C ZINC000035493792 173456297 /nfs/dbraw/zinc/45/62/97/173456297.db2.gz PKSJJZJTCIPPOZ-KCPJHIHWSA-N 1 0 231.383 3.901 10 0 BHAERO C[NH2+][C@H](c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035494614 173456975 /nfs/dbraw/zinc/45/69/75/173456975.db2.gz ZCSKOLNYGISYGP-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CCc1ccc([C@H]([NH2+]C)c2cc(C)oc2C)cc1 ZINC000035494871 171843538 /nfs/dbraw/zinc/84/35/38/171843538.db2.gz BWWWLXQCLLDLOP-INIZCTEOSA-N 1 0 243.350 3.768 10 0 BHAERO CCc1ccc([C@H]([NH2+]C)c2ccccc2F)cc1 ZINC000035495228 171843805 /nfs/dbraw/zinc/84/38/05/171843805.db2.gz CGFHZRUTTNSBFT-INIZCTEOSA-N 1 0 243.325 3.697 10 0 BHAERO CCc1ccc([C@@H](Cc2ccccc2)[NH2+]C)cc1 ZINC000035495418 171833705 /nfs/dbraw/zinc/83/37/05/171833705.db2.gz SGBSCODVUHDRLE-QGZVFWFLSA-N 1 0 239.362 3.752 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCC2 ZINC000035496898 169373651 /nfs/dbraw/zinc/37/36/51/169373651.db2.gz MFWVIHSYNZVACZ-WBMJQRKESA-N 1 0 231.383 3.872 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCC2 ZINC000035496901 169372296 /nfs/dbraw/zinc/37/22/96/169372296.db2.gz MFWVIHSYNZVACZ-MLGOLLRUSA-N 1 0 231.383 3.872 10 0 BHAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000035496994 173422083 /nfs/dbraw/zinc/42/20/83/173422083.db2.gz QBVROCUTHOBYGA-HNNXBMFYSA-N 1 0 231.383 3.872 10 0 BHAERO C[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035497082 173428358 /nfs/dbraw/zinc/42/83/58/173428358.db2.gz MIILYKQMQBUTKP-MRXNPFEDSA-N 1 0 229.367 3.626 10 0 BHAERO C[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035497084 173456758 /nfs/dbraw/zinc/45/67/58/173456758.db2.gz MIILYKQMQBUTKP-INIZCTEOSA-N 1 0 229.367 3.626 10 0 BHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1occc1C ZINC000035497413 173427368 /nfs/dbraw/zinc/42/73/68/173427368.db2.gz PLGPBIOROLIPHD-LBPRGKRZSA-N 1 0 235.352 3.575 10 0 BHAERO C[NH2+][C@@H](c1cc(C)sc1C)C(C)(C)C ZINC000035497497 387051147 /nfs/dbraw/zinc/05/11/47/387051147.db2.gz FKJJHHQEXFNJBG-NSHDSACASA-N 1 0 211.374 3.672 10 0 BHAERO C[NH2+][C@H](c1cc(C)sc1C)C(C)(C)C ZINC000035497499 387050994 /nfs/dbraw/zinc/05/09/94/387050994.db2.gz FKJJHHQEXFNJBG-LLVKDONJSA-N 1 0 211.374 3.672 10 0 BHAERO C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035497927 357492215 /nfs/dbraw/zinc/49/22/15/357492215.db2.gz JEFXVQDZFJITFB-JTQLQIEISA-N 1 0 243.784 3.772 10 0 BHAERO C[NH2+][C@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035497929 357491916 /nfs/dbraw/zinc/49/19/16/357491916.db2.gz JEFXVQDZFJITFB-SNVBAGLBSA-N 1 0 243.784 3.772 10 0 BHAERO C[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000035497970 357492162 /nfs/dbraw/zinc/49/21/62/357492162.db2.gz AZVNICPJAZWMMV-JTQLQIEISA-N 1 0 243.784 3.772 10 0 BHAERO C[NH2+][C@H](c1cccs1)c1ccc(Cl)s1 ZINC000035497972 357492102 /nfs/dbraw/zinc/49/21/02/357492102.db2.gz AZVNICPJAZWMMV-SNVBAGLBSA-N 1 0 243.784 3.772 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)s1)C1CCCC1 ZINC000035498462 357491845 /nfs/dbraw/zinc/49/18/45/357491845.db2.gz NQIINWGBJQKPFL-LLVKDONJSA-N 1 0 229.776 3.852 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)s1)C1CCCC1 ZINC000035498464 357492367 /nfs/dbraw/zinc/49/23/67/357492367.db2.gz NQIINWGBJQKPFL-NSHDSACASA-N 1 0 229.776 3.852 10 0 BHAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498766 170797463 /nfs/dbraw/zinc/79/74/63/170797463.db2.gz FPENQMIYCGUAPP-DOMZBBRYSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498767 171399132 /nfs/dbraw/zinc/39/91/32/171399132.db2.gz FPENQMIYCGUAPP-WFASDCNBSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498771 171373747 /nfs/dbraw/zinc/37/37/47/171373747.db2.gz FPENQMIYCGUAPP-SWLSCSKDSA-N 1 0 235.371 3.780 10 0 BHAERO C[NH2+][C@H](CC(C)C)c1ccc(OC(C)C)cc1 ZINC000035498817 173450949 /nfs/dbraw/zinc/45/09/49/173450949.db2.gz NUBPIBZPRBKJDK-OAHLLOKOSA-N 1 0 235.371 3.780 10 0 BHAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)C1CCCC1 ZINC000035498896 173456691 /nfs/dbraw/zinc/45/66/91/173456691.db2.gz OSIVKDFUKVUUTQ-INIZCTEOSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc(F)ccc1OC ZINC000035499106 169372111 /nfs/dbraw/zinc/37/21/11/169372111.db2.gz RPJCIBSJPCIXFG-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[C@H]([NH2+]C)c1csc2ccccc12 ZINC000035499511 357511976 /nfs/dbraw/zinc/51/19/76/357511976.db2.gz KGBXJIDCVOASGN-NSHDSACASA-N 1 0 205.326 3.572 10 0 BHAERO CC[C@@H]([NH2+]C)c1csc2ccccc12 ZINC000035499513 357511720 /nfs/dbraw/zinc/51/17/20/357511720.db2.gz KGBXJIDCVOASGN-LLVKDONJSA-N 1 0 205.326 3.572 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035501585 357511066 /nfs/dbraw/zinc/51/10/66/357511066.db2.gz GVNKDSZIDUVMKT-LLVKDONJSA-N 1 0 230.138 3.664 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035501586 357511030 /nfs/dbraw/zinc/51/10/30/357511030.db2.gz GVNKDSZIDUVMKT-NSHDSACASA-N 1 0 230.138 3.664 10 0 BHAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000035501951 357511074 /nfs/dbraw/zinc/51/10/74/357511074.db2.gz RKUCLJXBNOOLNK-LLVKDONJSA-N 1 0 230.138 3.664 10 0 BHAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000035501952 357510594 /nfs/dbraw/zinc/51/05/94/357510594.db2.gz RKUCLJXBNOOLNK-NSHDSACASA-N 1 0 230.138 3.664 10 0 BHAERO CC[C@H]([NH2+]C)c1cc(Cl)sc1Cl ZINC000035502092 357511154 /nfs/dbraw/zinc/51/11/54/357511154.db2.gz YASPPHOFBMIKJX-LURJTMIESA-N 1 0 224.156 3.725 10 0 BHAERO CC[C@@H]([NH2+]C)c1cc(Cl)sc1Cl ZINC000035502093 387126997 /nfs/dbraw/zinc/12/69/97/387126997.db2.gz YASPPHOFBMIKJX-ZCFIWIBFSA-N 1 0 224.156 3.725 10 0 BHAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)C(C)C ZINC000035502094 357511128 /nfs/dbraw/zinc/51/11/28/357511128.db2.gz KFLQWJCJYNZYED-QMMMGPOBSA-N 1 0 238.183 3.971 10 0 BHAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)C(C)C ZINC000035502095 357510880 /nfs/dbraw/zinc/51/08/80/357510880.db2.gz KFLQWJCJYNZYED-MRVPVSSYSA-N 1 0 238.183 3.971 10 0 BHAERO CCCCC[C@H]([NH2+]C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504666 168745173 /nfs/dbraw/zinc/74/51/73/168745173.db2.gz BBCLGWJIUJAMOS-WFASDCNBSA-N 1 0 247.382 3.851 10 0 BHAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504719 169495170 /nfs/dbraw/zinc/49/51/70/169495170.db2.gz DBGGQMVXMIAFPC-MKBNYLNASA-N 1 0 247.382 3.707 10 0 BHAERO C[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504730 173422894 /nfs/dbraw/zinc/42/28/94/173422894.db2.gz GMFYPEPNWXFSIG-DOMZBBRYSA-N 1 0 247.382 3.707 10 0 BHAERO CCC(CC)[C@@H]([NH2+]C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035505361 168401102 /nfs/dbraw/zinc/40/11/02/168401102.db2.gz XOMINJSIICGSEY-MEDUHNTESA-N 1 0 247.382 3.707 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(C)c1 ZINC000035506243 169373662 /nfs/dbraw/zinc/37/36/62/169373662.db2.gz MJMJUKRSWYXRDH-ABAIWWIYSA-N 1 0 235.371 3.700 10 0 BHAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(C)c1 ZINC000035506245 169495558 /nfs/dbraw/zinc/49/55/58/169495558.db2.gz MJMJUKRSWYXRDH-NHYWBVRUSA-N 1 0 235.371 3.700 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(C)c1 ZINC000035506248 169372256 /nfs/dbraw/zinc/37/22/56/169372256.db2.gz MJMJUKRSWYXRDH-IAQYHMDHSA-N 1 0 235.371 3.700 10 0 BHAERO C[NH2+][C@@H](c1ccc(OC)c(C)c1)C1CCCCC1 ZINC000035506456 173428240 /nfs/dbraw/zinc/42/82/40/173428240.db2.gz GJLKPNKXHIJYCW-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CCCCC[C@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000035507613 168745382 /nfs/dbraw/zinc/74/53/82/168745382.db2.gz CIXHJBLXTMJFRB-ZDUSSCGKSA-N 1 0 239.334 3.675 10 0 BHAERO CCCCC[C@@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000035507616 168740160 /nfs/dbraw/zinc/74/01/60/168740160.db2.gz CIXHJBLXTMJFRB-CYBMUJFWSA-N 1 0 239.334 3.675 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000035507650 169373748 /nfs/dbraw/zinc/37/37/48/169373748.db2.gz FLDKNOZMJDHBBR-YGRLFVJLSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000035507653 169495259 /nfs/dbraw/zinc/49/52/59/169495259.db2.gz FLDKNOZMJDHBBR-HZMBPMFUSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000035507656 169372409 /nfs/dbraw/zinc/37/24/09/169372409.db2.gz FLDKNOZMJDHBBR-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)c(C)c1 ZINC000035509203 170147830 /nfs/dbraw/zinc/14/78/30/170147830.db2.gz SEDGPQSUEVULAB-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)c(C)c1 ZINC000035509205 170163361 /nfs/dbraw/zinc/16/33/61/170163361.db2.gz SEDGPQSUEVULAB-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccco1)c1ccc(C)c(C)c1 ZINC000035509210 170147108 /nfs/dbraw/zinc/14/71/08/170147108.db2.gz QAEHUFRSRIXPHS-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1ccco1)c1ccc(C)c(C)c1 ZINC000035509212 170163065 /nfs/dbraw/zinc/16/30/65/170163065.db2.gz QAEHUFRSRIXPHS-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(C)c(C)c1 ZINC000035509214 170165048 /nfs/dbraw/zinc/16/50/48/170165048.db2.gz RGWUTSPBBHVRMW-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(C)c(C)c1 ZINC000035509216 170148985 /nfs/dbraw/zinc/14/89/85/170148985.db2.gz RGWUTSPBBHVRMW-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1ccc(C)c(C)c1 ZINC000035509228 170147356 /nfs/dbraw/zinc/14/73/56/170147356.db2.gz LCCFPNKNSNMNTG-HNNXBMFYSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(C)c(C)c1 ZINC000035509230 170163104 /nfs/dbraw/zinc/16/31/04/170163104.db2.gz LCCFPNKNSNMNTG-OAHLLOKOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(C)c(C)c1 ZINC000035509243 170147260 /nfs/dbraw/zinc/14/72/60/170147260.db2.gz DOQQEFHWCDTHLQ-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(C)c(C)c1 ZINC000035509245 170163076 /nfs/dbraw/zinc/16/30/76/170163076.db2.gz DOQQEFHWCDTHLQ-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)c(C)c1 ZINC000035509606 170144286 /nfs/dbraw/zinc/14/42/86/170144286.db2.gz NQNIJRUZDLRCAO-LBPRGKRZSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(C)c(C)c1 ZINC000035509608 170161249 /nfs/dbraw/zinc/16/12/49/170161249.db2.gz NQNIJRUZDLRCAO-GFCCVEGCSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035509917 170147551 /nfs/dbraw/zinc/14/75/51/170147551.db2.gz PHBQIOYASJRDFF-ZDUSSCGKSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035509919 170163118 /nfs/dbraw/zinc/16/31/18/170163118.db2.gz PHBQIOYASJRDFF-CYBMUJFWSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)oc1C ZINC000035509946 170147949 /nfs/dbraw/zinc/14/79/49/170147949.db2.gz GBNNTSWBNMJZKS-CQSZACIVSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(C)oc1C ZINC000035509948 170163137 /nfs/dbraw/zinc/16/31/37/170163137.db2.gz GBNNTSWBNMJZKS-AWEZNQCLSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccoc1C ZINC000035509958 170162911 /nfs/dbraw/zinc/16/29/11/170162911.db2.gz BDMQKQWMBKZZCF-ZDUSSCGKSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccoc1C ZINC000035509960 170147761 /nfs/dbraw/zinc/14/77/61/170147761.db2.gz BDMQKQWMBKZZCF-CYBMUJFWSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccccc1F ZINC000035510265 170163559 /nfs/dbraw/zinc/16/35/59/170163559.db2.gz ICIGAZPLYVBDOQ-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1F ZINC000035510267 170147606 /nfs/dbraw/zinc/14/76/06/170147606.db2.gz ICIGAZPLYVBDOQ-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccc(F)c1 ZINC000035510285 170148777 /nfs/dbraw/zinc/14/87/77/170148777.db2.gz BUGQKYIDFCYJCC-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccc(F)c1 ZINC000035510287 170163809 /nfs/dbraw/zinc/16/38/09/170163809.db2.gz BUGQKYIDFCYJCC-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(C)s1 ZINC000035510458 170146346 /nfs/dbraw/zinc/14/63/46/170146346.db2.gz JOMJLAZHCKOUHS-AWEZNQCLSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(C)s1 ZINC000035510460 170162175 /nfs/dbraw/zinc/16/21/75/170162175.db2.gz JOMJLAZHCKOUHS-CQSZACIVSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000035510613 170147715 /nfs/dbraw/zinc/14/77/15/170147715.db2.gz AFBRALGQRFOMKJ-INIZCTEOSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000035510615 170163225 /nfs/dbraw/zinc/16/32/25/170163225.db2.gz AFBRALGQRFOMKJ-MRXNPFEDSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)C1CC1 ZINC000035537113 170148432 /nfs/dbraw/zinc/14/84/32/170148432.db2.gz HLECUOAERSYUPU-MRXNPFEDSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)C1CC1 ZINC000035537116 170163988 /nfs/dbraw/zinc/16/39/88/170163988.db2.gz HLECUOAERSYUPU-INIZCTEOSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@@H]1C[C@@H]1C ZINC000035537200 170148445 /nfs/dbraw/zinc/14/84/45/170148445.db2.gz CRTFNQMBJYQWJB-VUCTXSBTSA-N 1 0 243.394 3.872 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@@H]1C[C@@H]1C ZINC000035537203 170164210 /nfs/dbraw/zinc/16/42/10/170164210.db2.gz CRTFNQMBJYQWJB-JCURWCKSSA-N 1 0 243.394 3.872 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@H]1C[C@@H]1C ZINC000035537206 170148859 /nfs/dbraw/zinc/14/88/59/170148859.db2.gz CRTFNQMBJYQWJB-ZLIFDBKOSA-N 1 0 243.394 3.872 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H]1C[C@@H]1C ZINC000035537209 170164053 /nfs/dbraw/zinc/16/40/53/170164053.db2.gz CRTFNQMBJYQWJB-AFAVFJNCSA-N 1 0 243.394 3.872 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(CC)s1 ZINC000035537243 170162858 /nfs/dbraw/zinc/16/28/58/170162858.db2.gz ZELQMGCVERCEQF-CQSZACIVSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(CC)s1 ZINC000035537246 170147600 /nfs/dbraw/zinc/14/76/00/170147600.db2.gz ZELQMGCVERCEQF-AWEZNQCLSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1occc1C ZINC000035537284 170147736 /nfs/dbraw/zinc/14/77/36/170147736.db2.gz XPMLRVAKUJHNGW-ZDUSSCGKSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)s1)c1occc1C ZINC000035537287 170163991 /nfs/dbraw/zinc/16/39/91/170163991.db2.gz XPMLRVAKUJHNGW-CYBMUJFWSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccoc1C ZINC000035537308 170147805 /nfs/dbraw/zinc/14/78/05/170147805.db2.gz LHPVXFCPGYIPDL-CQSZACIVSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccoc1C ZINC000035537311 170164007 /nfs/dbraw/zinc/16/40/07/170164007.db2.gz LHPVXFCPGYIPDL-AWEZNQCLSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C(C)C ZINC000035538379 170148017 /nfs/dbraw/zinc/14/80/17/170148017.db2.gz XMNBYHACMCBUMO-CYBMUJFWSA-N 1 0 241.762 3.655 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C(C)C ZINC000035538382 170163893 /nfs/dbraw/zinc/16/38/93/170163893.db2.gz XMNBYHACMCBUMO-ZDUSSCGKSA-N 1 0 241.762 3.655 10 0 BHAERO CC[NH2+][C@H](c1sccc1C)c1ccc(F)cc1 ZINC000035539665 170148019 /nfs/dbraw/zinc/14/80/19/170148019.db2.gz JYWALIYZKDGMQP-ZDUSSCGKSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1 ZINC000035539667 170163865 /nfs/dbraw/zinc/16/38/65/170163865.db2.gz JYWALIYZKDGMQP-CYBMUJFWSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035539677 170147784 /nfs/dbraw/zinc/14/77/84/170147784.db2.gz QWMGPEJSEABVBT-HNNXBMFYSA-N 1 0 247.313 3.734 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035539679 170163817 /nfs/dbraw/zinc/16/38/17/170163817.db2.gz QWMGPEJSEABVBT-OAHLLOKOSA-N 1 0 247.313 3.734 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1F ZINC000035540024 170147163 /nfs/dbraw/zinc/14/71/63/170147163.db2.gz SHGRWSUHOJREGY-HNNXBMFYSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1F ZINC000035540026 170164003 /nfs/dbraw/zinc/16/40/03/170164003.db2.gz SHGRWSUHOJREGY-OAHLLOKOSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000035540039 170147119 /nfs/dbraw/zinc/14/71/19/170147119.db2.gz WHABDAIYCGPWPD-HNNXBMFYSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000035540040 170164051 /nfs/dbraw/zinc/16/40/51/170164051.db2.gz WHABDAIYCGPWPD-OAHLLOKOSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(C)c1 ZINC000035540060 170147602 /nfs/dbraw/zinc/14/76/02/170147602.db2.gz JUSSJMQKAPXSDA-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(C)c1 ZINC000035540061 170163927 /nfs/dbraw/zinc/16/39/27/170163927.db2.gz JUSSJMQKAPXSDA-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1C ZINC000035540094 170147915 /nfs/dbraw/zinc/14/79/15/170147915.db2.gz SSVSWMRZOVWSLP-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1C ZINC000035540095 170164291 /nfs/dbraw/zinc/16/42/91/170164291.db2.gz SSVSWMRZOVWSLP-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035540132 170146504 /nfs/dbraw/zinc/14/65/04/170146504.db2.gz CDQVDTLYXSTJMU-INIZCTEOSA-N 1 0 243.325 3.719 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035540133 170162254 /nfs/dbraw/zinc/16/22/54/170162254.db2.gz CDQVDTLYXSTJMU-MRXNPFEDSA-N 1 0 243.325 3.719 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000035540144 170147923 /nfs/dbraw/zinc/14/79/23/170147923.db2.gz JJLXKRDADRQXDE-AWEZNQCLSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000035540145 170164113 /nfs/dbraw/zinc/16/41/13/170164113.db2.gz JJLXKRDADRQXDE-CQSZACIVSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1ccc(Cl)cc1 ZINC000035540156 170147555 /nfs/dbraw/zinc/14/75/55/170147555.db2.gz PRAPMQLMYNNFQJ-ZDUSSCGKSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(Cl)cc1 ZINC000035540157 170163932 /nfs/dbraw/zinc/16/39/32/170163932.db2.gz PRAPMQLMYNNFQJ-CYBMUJFWSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(Cl)cc1 ZINC000035540164 170147779 /nfs/dbraw/zinc/14/77/79/170147779.db2.gz HNOQKNQLYONDQA-AWEZNQCLSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(Cl)cc1 ZINC000035540165 170164258 /nfs/dbraw/zinc/16/42/58/170164258.db2.gz HNOQKNQLYONDQA-CQSZACIVSA-N 1 0 249.741 3.940 10 0 BHAERO CC[NH2+][C@@H](CCC(C)C)c1ccccc1 ZINC000035540503 357994419 /nfs/dbraw/zinc/99/44/19/357994419.db2.gz QQFPKUBBELDXBH-AWEZNQCLSA-N 1 0 205.345 3.773 10 0 BHAERO CC[NH2+][C@H](CCC(C)C)c1ccccc1 ZINC000035540504 357994400 /nfs/dbraw/zinc/99/44/00/357994400.db2.gz QQFPKUBBELDXBH-CQSZACIVSA-N 1 0 205.345 3.773 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(CC)cc1 ZINC000035540517 170165370 /nfs/dbraw/zinc/16/53/70/170165370.db2.gz BBGPLBVDLHXAKW-QGZVFWFLSA-N 1 0 239.362 3.948 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(CC)cc1 ZINC000035540518 170148518 /nfs/dbraw/zinc/14/85/18/170148518.db2.gz BBGPLBVDLHXAKW-KRWDZBQOSA-N 1 0 239.362 3.948 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1C)c1ccccc1 ZINC000035540535 170146628 /nfs/dbraw/zinc/14/66/28/170146628.db2.gz CVSKHZRWSJVXGO-KRWDZBQOSA-N 1 0 239.362 3.888 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1C)c1ccccc1 ZINC000035540536 170163160 /nfs/dbraw/zinc/16/31/60/170163160.db2.gz CVSKHZRWSJVXGO-QGZVFWFLSA-N 1 0 239.362 3.888 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccccc1 ZINC000035540541 170146867 /nfs/dbraw/zinc/14/68/67/170146867.db2.gz JEYGMYYAGCQUBN-INIZCTEOSA-N 1 0 243.325 3.719 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1ccccc1 ZINC000035540542 170162314 /nfs/dbraw/zinc/16/23/14/170162314.db2.gz JEYGMYYAGCQUBN-MRXNPFEDSA-N 1 0 243.325 3.719 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1cc(F)cc(F)c1 ZINC000035540557 170148252 /nfs/dbraw/zinc/14/82/52/170148252.db2.gz QIHWVJQHXNUFMB-HNNXBMFYSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1cc(F)cc(F)c1 ZINC000035540558 170165019 /nfs/dbraw/zinc/16/50/19/170165019.db2.gz QIHWVJQHXNUFMB-OAHLLOKOSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1c(F)cccc1F ZINC000035540567 170148103 /nfs/dbraw/zinc/14/81/03/170148103.db2.gz FMVKTZAHHKJZME-HNNXBMFYSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1c(F)cccc1F ZINC000035540568 170164186 /nfs/dbraw/zinc/16/41/86/170164186.db2.gz FMVKTZAHHKJZME-OAHLLOKOSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1F ZINC000035540575 170148696 /nfs/dbraw/zinc/14/86/96/170148696.db2.gz ZIJKTVQUAJQQQZ-HNNXBMFYSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1F ZINC000035540576 170164870 /nfs/dbraw/zinc/16/48/70/170164870.db2.gz ZIJKTVQUAJQQQZ-OAHLLOKOSA-N 1 0 247.288 3.664 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1ccccc1F ZINC000035540593 170148623 /nfs/dbraw/zinc/14/86/23/170148623.db2.gz NOMXUHJOJNKXPR-HNNXBMFYSA-N 1 0 229.298 3.525 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1ccccc1F ZINC000035540594 170164981 /nfs/dbraw/zinc/16/49/81/170164981.db2.gz NOMXUHJOJNKXPR-OAHLLOKOSA-N 1 0 229.298 3.525 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(C)c(F)c1 ZINC000035540595 170148797 /nfs/dbraw/zinc/14/87/97/170148797.db2.gz WMCNKWNTRXNWEY-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(C)c(F)c1 ZINC000035540597 170165366 /nfs/dbraw/zinc/16/53/66/170165366.db2.gz WMCNKWNTRXNWEY-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1cccc(C)c1 ZINC000035540617 170148891 /nfs/dbraw/zinc/14/88/91/170148891.db2.gz MWHSYYMDPBRQMT-INIZCTEOSA-N 1 0 225.335 3.694 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1cccc(C)c1 ZINC000035540618 170164888 /nfs/dbraw/zinc/16/48/88/170164888.db2.gz MWHSYYMDPBRQMT-MRXNPFEDSA-N 1 0 225.335 3.694 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000035540770 169373774 /nfs/dbraw/zinc/37/37/74/169373774.db2.gz UUAUKUYDCXTGFU-DOMZBBRYSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000035540771 169495464 /nfs/dbraw/zinc/49/54/64/169495464.db2.gz UUAUKUYDCXTGFU-WFASDCNBSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000035540772 169372080 /nfs/dbraw/zinc/37/20/80/169372080.db2.gz UUAUKUYDCXTGFU-IUODEOHRSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1 ZINC000035540840 170143189 /nfs/dbraw/zinc/14/31/89/170143189.db2.gz JLFZOPVVFFFQJG-AWEZNQCLSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)cc1 ZINC000035540841 170160705 /nfs/dbraw/zinc/16/07/05/170160705.db2.gz JLFZOPVVFFFQJG-CQSZACIVSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C1CCCCC1 ZINC000035540850 170147571 /nfs/dbraw/zinc/14/75/71/170147571.db2.gz AFEKZKBPXYIRQT-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1)C1CCCCC1 ZINC000035540851 170164345 /nfs/dbraw/zinc/16/43/45/170164345.db2.gz AFEKZKBPXYIRQT-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C1CCCC1 ZINC000035540892 170147130 /nfs/dbraw/zinc/14/71/30/170147130.db2.gz LUODDBDVNRMFDA-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1)C1CCCC1 ZINC000035540893 170163781 /nfs/dbraw/zinc/16/37/81/170163781.db2.gz LUODDBDVNRMFDA-HNNXBMFYSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1)C(CC)CC ZINC000035540912 170164192 /nfs/dbraw/zinc/16/41/92/170164192.db2.gz APUNSRCFMPNGKF-HNNXBMFYSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C(CC)CC ZINC000035540913 170147728 /nfs/dbraw/zinc/14/77/28/170147728.db2.gz APUNSRCFMPNGKF-OAHLLOKOSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)cc1 ZINC000035540928 170147863 /nfs/dbraw/zinc/14/78/63/170147863.db2.gz RZESYOOXFWVHCC-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)cc1 ZINC000035540929 170163239 /nfs/dbraw/zinc/16/32/39/170163239.db2.gz RZESYOOXFWVHCC-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1ccc(C)cc1 ZINC000035540940 170147682 /nfs/dbraw/zinc/14/76/82/170147682.db2.gz WJZWGONUIOIDPY-AWEZNQCLSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(C)cc1 ZINC000035540941 170162937 /nfs/dbraw/zinc/16/29/37/170162937.db2.gz WJZWGONUIOIDPY-CQSZACIVSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(C)cc1 ZINC000035540942 170147705 /nfs/dbraw/zinc/14/77/05/170147705.db2.gz SBOJAYRTDSCCIO-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(C)cc1 ZINC000035540943 170162999 /nfs/dbraw/zinc/16/29/99/170162999.db2.gz SBOJAYRTDSCCIO-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(C)cc1 ZINC000035540948 170146981 /nfs/dbraw/zinc/14/69/81/170146981.db2.gz LBBZOXLUSOZOSD-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(C)cc1 ZINC000035540949 170163325 /nfs/dbraw/zinc/16/33/25/170163325.db2.gz LBBZOXLUSOZOSD-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1F ZINC000035541098 170147654 /nfs/dbraw/zinc/14/76/54/170147654.db2.gz DRMGHGWPGZAOSJ-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1F ZINC000035541099 170162905 /nfs/dbraw/zinc/16/29/05/170162905.db2.gz DRMGHGWPGZAOSJ-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035541106 170147633 /nfs/dbraw/zinc/14/76/33/170147633.db2.gz DJOSOTVBWQHFTE-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035541107 170163205 /nfs/dbraw/zinc/16/32/05/170163205.db2.gz DJOSOTVBWQHFTE-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(C)cc1 ZINC000035541181 170145840 /nfs/dbraw/zinc/14/58/40/170145840.db2.gz JAGMRQFCAXASSF-KRWDZBQOSA-N 1 0 239.362 3.888 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(C)cc1 ZINC000035541182 170162550 /nfs/dbraw/zinc/16/25/50/170162550.db2.gz JAGMRQFCAXASSF-QGZVFWFLSA-N 1 0 239.362 3.888 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)C(C)(C)C ZINC000035541237 170148143 /nfs/dbraw/zinc/14/81/43/170148143.db2.gz PCWJACMFTOGLLI-AWEZNQCLSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](c1ccc(OCC)cc1)C(C)(C)C ZINC000035541238 170164245 /nfs/dbraw/zinc/16/42/45/170164245.db2.gz PCWJACMFTOGLLI-CQSZACIVSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@H](C)CC ZINC000035541297 170164031 /nfs/dbraw/zinc/16/40/31/170164031.db2.gz IKNVBOSGZKETSW-DOMZBBRYSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H](C)CC ZINC000035541298 170164064 /nfs/dbraw/zinc/16/40/64/170164064.db2.gz IKNVBOSGZKETSW-WFASDCNBSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H](C)CC ZINC000035541299 170148149 /nfs/dbraw/zinc/14/81/49/170148149.db2.gz IKNVBOSGZKETSW-IUODEOHRSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H](C)CC ZINC000035541300 170148917 /nfs/dbraw/zinc/14/89/17/170148917.db2.gz IKNVBOSGZKETSW-SWLSCSKDSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OCC)cc1 ZINC000035541323 170144051 /nfs/dbraw/zinc/14/40/51/170144051.db2.gz IEHKWGDMAYNWQT-HNNXBMFYSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc(OCC)cc1 ZINC000035541324 170161103 /nfs/dbraw/zinc/16/11/03/170161103.db2.gz IEHKWGDMAYNWQT-OAHLLOKOSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)C1CCCC1 ZINC000035541357 170148625 /nfs/dbraw/zinc/14/86/25/170148625.db2.gz WQVIVUIUCGMKFN-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@H](c1ccc(OCC)cc1)C1CCCC1 ZINC000035541358 170163920 /nfs/dbraw/zinc/16/39/20/170163920.db2.gz WQVIVUIUCGMKFN-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)C1CCC1 ZINC000035541359 170148611 /nfs/dbraw/zinc/14/86/11/170148611.db2.gz DGYNZWCPMUJFLV-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@H](c1ccc(OCC)cc1)C1CCC1 ZINC000035541360 170163993 /nfs/dbraw/zinc/16/39/93/170163993.db2.gz DGYNZWCPMUJFLV-HNNXBMFYSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@H](c1ccc(CCOC)cc1)[C@H](C)CC ZINC000035541995 170164331 /nfs/dbraw/zinc/16/43/31/170164331.db2.gz UUZGZNMQJPJSTH-CJNGLKHVSA-N 1 0 249.398 3.572 10 0 BHAERO CC[NH2+][C@H](c1ccc(CCOC)cc1)[C@@H](C)CC ZINC000035541996 170164182 /nfs/dbraw/zinc/16/41/82/170164182.db2.gz UUZGZNMQJPJSTH-BBRMVZONSA-N 1 0 249.398 3.572 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@H](C)CC ZINC000035541997 170147959 /nfs/dbraw/zinc/14/79/59/170147959.db2.gz UUZGZNMQJPJSTH-CZUORRHYSA-N 1 0 249.398 3.572 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@@H](C)CC ZINC000035541998 170147992 /nfs/dbraw/zinc/14/79/92/170147992.db2.gz UUZGZNMQJPJSTH-XJKSGUPXSA-N 1 0 249.398 3.572 10 0 BHAERO CCCCC[C@H]([NH2+]CC)c1ccc2c(c1)CCO2 ZINC000035542263 168744777 /nfs/dbraw/zinc/74/47/77/168744777.db2.gz KDXTXLQFRJUNGU-HNNXBMFYSA-N 1 0 247.382 3.852 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CCO2 ZINC000035542281 169373107 /nfs/dbraw/zinc/37/31/07/169373107.db2.gz ZPFDXXBLENYLPT-WBMJQRKESA-N 1 0 247.382 3.708 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CCO2 ZINC000035542285 169372597 /nfs/dbraw/zinc/37/25/97/169372597.db2.gz ZPFDXXBLENYLPT-MLGOLLRUSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CCO2 ZINC000035542286 169494969 /nfs/dbraw/zinc/49/49/69/169494969.db2.gz ZPFDXXBLENYLPT-BLLLJJGKSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCO2 ZINC000035542288 170145481 /nfs/dbraw/zinc/14/54/81/170145481.db2.gz DUNGFZQYBDZMNM-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](CCC(C)C)c1ccc2c(c1)CCO2 ZINC000035542290 170161880 /nfs/dbraw/zinc/16/18/80/170161880.db2.gz DUNGFZQYBDZMNM-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000035542370 170142681 /nfs/dbraw/zinc/14/26/81/170142681.db2.gz RPQHUSKPEZTNPO-AWEZNQCLSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000035542372 170160816 /nfs/dbraw/zinc/16/08/16/170160816.db2.gz RPQHUSKPEZTNPO-CQSZACIVSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)C(CC)CC ZINC000035542509 170163989 /nfs/dbraw/zinc/16/39/89/170163989.db2.gz GIMAXCLMFKRVDA-INIZCTEOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)C(CC)CC ZINC000035542511 170148718 /nfs/dbraw/zinc/14/87/18/170148718.db2.gz GIMAXCLMFKRVDA-MRXNPFEDSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)cc1C ZINC000035542538 170163109 /nfs/dbraw/zinc/16/31/09/170163109.db2.gz ZSODMRFPKGCFJM-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)cc1C ZINC000035542540 170147239 /nfs/dbraw/zinc/14/72/39/170147239.db2.gz ZSODMRFPKGCFJM-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(C)cc1C ZINC000035542550 170149721 /nfs/dbraw/zinc/14/97/21/170149721.db2.gz IBCWQLPXYWQJMB-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(C)cc1C ZINC000035542551 170165074 /nfs/dbraw/zinc/16/50/74/170165074.db2.gz IBCWQLPXYWQJMB-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1ccc(C)cc1C ZINC000035542561 170148009 /nfs/dbraw/zinc/14/80/09/170148009.db2.gz KXEVFZFOJCHAGJ-HNNXBMFYSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(C)cc1C ZINC000035542563 170163288 /nfs/dbraw/zinc/16/32/88/170163288.db2.gz KXEVFZFOJCHAGJ-OAHLLOKOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(C)cc1C ZINC000035542576 170147765 /nfs/dbraw/zinc/14/77/65/170147765.db2.gz VQBKWRCLTCGCLX-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(C)cc1C ZINC000035542578 170162848 /nfs/dbraw/zinc/16/28/48/170162848.db2.gz VQBKWRCLTCGCLX-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)cc1C ZINC000035542902 170144153 /nfs/dbraw/zinc/14/41/53/170144153.db2.gz RIUOKDKWWMMDMI-LBPRGKRZSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(C)cc1C ZINC000035542904 170161232 /nfs/dbraw/zinc/16/12/32/170161232.db2.gz RIUOKDKWWMMDMI-GFCCVEGCSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@H](C)CC ZINC000035543178 170164048 /nfs/dbraw/zinc/16/40/48/170164048.db2.gz KROXGHNNAKSRSQ-ABAIWWIYSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H](C)CC ZINC000035543180 170164017 /nfs/dbraw/zinc/16/40/17/170164017.db2.gz KROXGHNNAKSRSQ-NHYWBVRUSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H](C)CC ZINC000035543182 170148596 /nfs/dbraw/zinc/14/85/96/170148596.db2.gz KROXGHNNAKSRSQ-IAQYHMDHSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H](C)CC ZINC000035543184 170147023 /nfs/dbraw/zinc/14/70/23/170147023.db2.gz KROXGHNNAKSRSQ-XHDPSFHLSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1C ZINC000035543230 170143890 /nfs/dbraw/zinc/14/38/90/170143890.db2.gz CVVZRAYDSQENNP-HNNXBMFYSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)cc1C ZINC000035543232 170160677 /nfs/dbraw/zinc/16/06/77/170160677.db2.gz CVVZRAYDSQENNP-OAHLLOKOSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)C1CCCC1 ZINC000035543314 170147662 /nfs/dbraw/zinc/14/76/62/170147662.db2.gz NLDBABVSFWZSBB-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1C)C1CCCC1 ZINC000035543316 170164219 /nfs/dbraw/zinc/16/42/19/170164219.db2.gz NLDBABVSFWZSBB-INIZCTEOSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@@H](c1cc(F)ccc1F)C1CCCC1 ZINC000035543780 170147385 /nfs/dbraw/zinc/14/73/85/170147385.db2.gz MPMHNIYTPAIEMR-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@H](c1cc(F)ccc1F)C1CCCC1 ZINC000035543782 170162941 /nfs/dbraw/zinc/16/29/41/170162941.db2.gz MPMHNIYTPAIEMR-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H](C)CC ZINC000035544724 170163200 /nfs/dbraw/zinc/16/32/00/170163200.db2.gz VKRTUHVRMHMEDI-OQPBUACISA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H](C)CC ZINC000035544726 170163274 /nfs/dbraw/zinc/16/32/74/170163274.db2.gz VKRTUHVRMHMEDI-SDBXPKJASA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H](C)CC ZINC000035544728 170146136 /nfs/dbraw/zinc/14/61/36/170146136.db2.gz VKRTUHVRMHMEDI-AMIZOPFISA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H](C)CC ZINC000035544730 170146116 /nfs/dbraw/zinc/14/61/16/170146116.db2.gz VKRTUHVRMHMEDI-ISVAXAHUSA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035544775 170142624 /nfs/dbraw/zinc/14/26/24/170142624.db2.gz AFYQTYOXBDBETC-LBPRGKRZSA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035544777 170161120 /nfs/dbraw/zinc/16/11/20/170161120.db2.gz AFYQTYOXBDBETC-GFCCVEGCSA-N 1 0 245.288 3.801 10 0 BHAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035544863 170146429 /nfs/dbraw/zinc/14/64/29/170146429.db2.gz LMVDUNWQOAOJQI-CYBMUJFWSA-N 1 0 243.272 3.555 10 0 BHAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035544865 170162852 /nfs/dbraw/zinc/16/28/52/170162852.db2.gz LMVDUNWQOAOJQI-ZDUSSCGKSA-N 1 0 243.272 3.555 10 0 BHAERO CC[NH2+][C@@H](c1ccsc1)c1cccs1 ZINC000035545243 170149363 /nfs/dbraw/zinc/14/93/63/170149363.db2.gz LPYTVRAZGZKHSZ-NSHDSACASA-N 1 0 223.366 3.509 10 0 BHAERO CC[NH2+][C@H](c1ccsc1)c1cccs1 ZINC000035545245 170165334 /nfs/dbraw/zinc/16/53/34/170165334.db2.gz LPYTVRAZGZKHSZ-LLVKDONJSA-N 1 0 223.366 3.509 10 0 BHAERO CC[NH2+][C@@H](c1cccs1)c1cc(C)oc1C ZINC000035545266 170148248 /nfs/dbraw/zinc/14/82/48/170148248.db2.gz AJRSLOYAGXSDGJ-CYBMUJFWSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@H](c1cccs1)c1cc(C)oc1C ZINC000035545268 170164668 /nfs/dbraw/zinc/16/46/68/170164668.db2.gz AJRSLOYAGXSDGJ-ZDUSSCGKSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1C)c1cccs1 ZINC000035545454 170146865 /nfs/dbraw/zinc/14/68/65/170146865.db2.gz PULCBBIFOUDIHV-AWEZNQCLSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1C)c1cccs1 ZINC000035545456 170163609 /nfs/dbraw/zinc/16/36/09/170163609.db2.gz PULCBBIFOUDIHV-CQSZACIVSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccs1 ZINC000035545465 170146406 /nfs/dbraw/zinc/14/64/06/170146406.db2.gz WLKGEFVRZFKGTA-ZDUSSCGKSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1cccs1 ZINC000035545467 170162427 /nfs/dbraw/zinc/16/24/27/170162427.db2.gz WLKGEFVRZFKGTA-CYBMUJFWSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@H](c1cccs1)c1ccc(C)c(F)c1 ZINC000035545578 170147798 /nfs/dbraw/zinc/14/77/98/170147798.db2.gz IXPOEQKPKVPXQJ-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(C)c(F)c1 ZINC000035545580 170163496 /nfs/dbraw/zinc/16/34/96/170163496.db2.gz IXPOEQKPKVPXQJ-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1F)c1cccs1 ZINC000035545630 170146451 /nfs/dbraw/zinc/14/64/51/170146451.db2.gz KWUJOKOATHAMHF-ZDUSSCGKSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1F)c1cccs1 ZINC000035545632 170163178 /nfs/dbraw/zinc/16/31/78/170163178.db2.gz KWUJOKOATHAMHF-CYBMUJFWSA-N 1 0 249.354 3.781 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1cc(C)ccc1C ZINC000035546262 170147417 /nfs/dbraw/zinc/14/74/17/170147417.db2.gz NAIKCJRGWLGNBI-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1cc(C)ccc1C ZINC000035546264 170162868 /nfs/dbraw/zinc/16/28/68/170162868.db2.gz NAIKCJRGWLGNBI-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1cc(C)ccc1C ZINC000035546275 170149800 /nfs/dbraw/zinc/14/98/00/170149800.db2.gz MKKDGCCNQMAMTC-HNNXBMFYSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1cc(C)ccc1C ZINC000035546278 170165359 /nfs/dbraw/zinc/16/53/59/170165359.db2.gz MKKDGCCNQMAMTC-OAHLLOKOSA-N 1 0 229.323 3.595 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1cc(C)ccc1C ZINC000035546293 170147610 /nfs/dbraw/zinc/14/76/10/170147610.db2.gz IYVDRPIXRRNZHN-HNNXBMFYSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1cc(C)ccc1C ZINC000035546295 170163548 /nfs/dbraw/zinc/16/35/48/170163548.db2.gz IYVDRPIXRRNZHN-OAHLLOKOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1cc(C)ccc1C ZINC000035546311 170163243 /nfs/dbraw/zinc/16/32/43/170163243.db2.gz RZUTWHOAJQGTJC-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1cc(C)ccc1C ZINC000035546314 170147638 /nfs/dbraw/zinc/14/76/38/170147638.db2.gz RZUTWHOAJQGTJC-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(C)ccc1C ZINC000035546684 170143730 /nfs/dbraw/zinc/14/37/30/170143730.db2.gz UXNCTRPHGWEJHV-LBPRGKRZSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(C)ccc1C ZINC000035546686 170160689 /nfs/dbraw/zinc/16/06/89/170160689.db2.gz UXNCTRPHGWEJHV-GFCCVEGCSA-N 1 0 245.288 3.906 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc2[nH]c3ccccc3c2c1 ZINC000035546964 170142278 /nfs/dbraw/zinc/14/22/78/170142278.db2.gz SZHUQNQSYPPPKQ-NSHDSACASA-N 1 0 238.334 3.992 10 0 BHAERO CC[NH2+][C@H](C)c1ccc2[nH]c3ccccc3c2c1 ZINC000035546966 170159533 /nfs/dbraw/zinc/15/95/33/170159533.db2.gz SZHUQNQSYPPPKQ-LLVKDONJSA-N 1 0 238.334 3.992 10 0 BHAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CC1 ZINC000035547152 170146401 /nfs/dbraw/zinc/14/64/01/170146401.db2.gz AKOBDUDUUNCYBO-MRXNPFEDSA-N 1 0 231.383 3.981 10 0 BHAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CC1 ZINC000035547154 170163568 /nfs/dbraw/zinc/16/35/68/170163568.db2.gz AKOBDUDUUNCYBO-INIZCTEOSA-N 1 0 231.383 3.981 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1F)C1CCCC1 ZINC000035547589 170147325 /nfs/dbraw/zinc/14/73/25/170147325.db2.gz NMUAMYXJZUQZFO-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1F)C1CCCC1 ZINC000035547591 170163908 /nfs/dbraw/zinc/16/39/08/170163908.db2.gz NMUAMYXJZUQZFO-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035547659 170148231 /nfs/dbraw/zinc/14/82/31/170148231.db2.gz YGZANZMOIFTDHD-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035547661 170164797 /nfs/dbraw/zinc/16/47/97/170164797.db2.gz YGZANZMOIFTDHD-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1c(C)cc(C)cc1C ZINC000035547663 170149173 /nfs/dbraw/zinc/14/91/73/170149173.db2.gz KHPQDOMACPGILF-INIZCTEOSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1c(C)cc(C)cc1C ZINC000035547665 170164810 /nfs/dbraw/zinc/16/48/10/170164810.db2.gz KHPQDOMACPGILF-MRXNPFEDSA-N 1 0 243.350 3.904 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000035549113 170148021 /nfs/dbraw/zinc/14/80/21/170148021.db2.gz SMURKWUBEXIISA-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000035549116 170164071 /nfs/dbraw/zinc/16/40/71/170164071.db2.gz SMURKWUBEXIISA-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(CC)cc1 ZINC000035549218 170147402 /nfs/dbraw/zinc/14/74/02/170147402.db2.gz NFKGMRNFIRCSKL-INIZCTEOSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(CC)cc1 ZINC000035549221 170163039 /nfs/dbraw/zinc/16/30/39/170163039.db2.gz NFKGMRNFIRCSKL-MRXNPFEDSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@H](c1ccco1)c1ccc(CC)cc1 ZINC000035549229 170147144 /nfs/dbraw/zinc/14/71/44/170147144.db2.gz DHKJARIXLYWFOO-HNNXBMFYSA-N 1 0 229.323 3.541 10 0 BHAERO CC[NH2+][C@@H](c1ccco1)c1ccc(CC)cc1 ZINC000035549232 170162888 /nfs/dbraw/zinc/16/28/88/170162888.db2.gz DHKJARIXLYWFOO-OAHLLOKOSA-N 1 0 229.323 3.541 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(CC)cc1 ZINC000035549235 170147520 /nfs/dbraw/zinc/14/75/20/170147520.db2.gz QIRNKPARXXAIKA-HNNXBMFYSA-N 1 0 229.323 3.541 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(CC)cc1 ZINC000035549237 170163537 /nfs/dbraw/zinc/16/35/37/170163537.db2.gz QIRNKPARXXAIKA-OAHLLOKOSA-N 1 0 229.323 3.541 10 0 BHAERO CC[NH2+][C@H](c1occc1C)c1ccc(CC)cc1 ZINC000035549252 170147265 /nfs/dbraw/zinc/14/72/65/170147265.db2.gz DADCAEDISVENIS-HNNXBMFYSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(CC)cc1 ZINC000035549255 170164340 /nfs/dbraw/zinc/16/43/40/170164340.db2.gz DADCAEDISVENIS-OAHLLOKOSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(CC)cc1 ZINC000035549276 170147548 /nfs/dbraw/zinc/14/75/48/170147548.db2.gz OVLOHBLOYOMDAN-INIZCTEOSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(CC)cc1 ZINC000035549279 170162879 /nfs/dbraw/zinc/16/28/79/170162879.db2.gz OVLOHBLOYOMDAN-MRXNPFEDSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(CC)cc1 ZINC000035549724 170161094 /nfs/dbraw/zinc/16/10/94/170161094.db2.gz RMVJGSISRUQJRU-GFCCVEGCSA-N 1 0 245.288 3.852 10 0 BHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(CC)cc1 ZINC000035549726 170144317 /nfs/dbraw/zinc/14/43/17/170144317.db2.gz RMVJGSISRUQJRU-LBPRGKRZSA-N 1 0 245.288 3.852 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@H](C)CC ZINC000035551470 170164141 /nfs/dbraw/zinc/16/41/41/170164141.db2.gz AWVSTTCICAKERQ-WBMJQRKESA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H](C)CC ZINC000035551473 170164450 /nfs/dbraw/zinc/16/44/50/170164450.db2.gz AWVSTTCICAKERQ-LRDDRELGSA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H](C)CC ZINC000035551476 170148176 /nfs/dbraw/zinc/14/81/76/170148176.db2.gz AWVSTTCICAKERQ-MLGOLLRUSA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H](C)CC ZINC000035551479 170148429 /nfs/dbraw/zinc/14/84/29/170148429.db2.gz AWVSTTCICAKERQ-BLLLJJGKSA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCC2 ZINC000035551538 170143621 /nfs/dbraw/zinc/14/36/21/170143621.db2.gz PZNPNTQXFFKUFY-INIZCTEOSA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCC2 ZINC000035551540 170161195 /nfs/dbraw/zinc/16/11/95/170161195.db2.gz PZNPNTQXFFKUFY-MRXNPFEDSA-N 1 0 231.383 3.872 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCC1 ZINC000035551636 170148117 /nfs/dbraw/zinc/14/81/17/170148117.db2.gz KEKQUZHPENVIHX-MRXNPFEDSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCC1 ZINC000035551639 170164000 /nfs/dbraw/zinc/16/40/00/170164000.db2.gz KEKQUZHPENVIHX-INIZCTEOSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1cc(C)sc1C ZINC000035551943 170147595 /nfs/dbraw/zinc/14/75/95/170147595.db2.gz FVKUUEGANKJWBY-CQSZACIVSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1cc(C)sc1C ZINC000035551946 170163350 /nfs/dbraw/zinc/16/33/50/170163350.db2.gz FVKUUEGANKJWBY-AWEZNQCLSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@@H](c1ccco1)c1cc(C)sc1C ZINC000035551955 170148349 /nfs/dbraw/zinc/14/83/49/170148349.db2.gz ICXGZPRPLBSRMG-CYBMUJFWSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@H](c1ccco1)c1cc(C)sc1C ZINC000035551957 170164955 /nfs/dbraw/zinc/16/49/55/170164955.db2.gz ICXGZPRPLBSRMG-ZDUSSCGKSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1cc(C)sc1C ZINC000035551959 170149685 /nfs/dbraw/zinc/14/96/85/170149685.db2.gz LKFAMBNDCMMUTL-ZDUSSCGKSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1cc(C)sc1C ZINC000035551962 170164816 /nfs/dbraw/zinc/16/48/16/170164816.db2.gz LKFAMBNDCMMUTL-CYBMUJFWSA-N 1 0 235.352 3.657 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1occc1C ZINC000035551980 170147994 /nfs/dbraw/zinc/14/79/94/170147994.db2.gz STSCCFFBLNDQPI-ZDUSSCGKSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1cc(C)sc1C)c1occc1C ZINC000035551983 170163333 /nfs/dbraw/zinc/16/33/33/170163333.db2.gz STSCCFFBLNDQPI-CYBMUJFWSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1C)c1cc(C)sc1C ZINC000035552002 170149693 /nfs/dbraw/zinc/14/96/93/170149693.db2.gz PEMKWLOXJVKRLD-AWEZNQCLSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1ccoc1C)c1cc(C)sc1C ZINC000035552004 170164919 /nfs/dbraw/zinc/16/49/19/170164919.db2.gz PEMKWLOXJVKRLD-CQSZACIVSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)sc1C)C(C)C ZINC000035552088 170147624 /nfs/dbraw/zinc/14/76/24/170147624.db2.gz PNBJNOOOJJEQDT-GFCCVEGCSA-N 1 0 211.374 3.672 10 0 BHAERO CC[NH2+][C@H](c1cc(C)sc1C)C(C)C ZINC000035552090 170162966 /nfs/dbraw/zinc/16/29/66/170162966.db2.gz PNBJNOOOJJEQDT-LBPRGKRZSA-N 1 0 211.374 3.672 10 0 BHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035552817 170149371 /nfs/dbraw/zinc/14/93/71/170149371.db2.gz LKMCQSLFXYXYTP-NSHDSACASA-N 1 0 241.743 3.693 10 0 BHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035552820 170165009 /nfs/dbraw/zinc/16/50/09/170165009.db2.gz LKMCQSLFXYXYTP-LLVKDONJSA-N 1 0 241.743 3.693 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000035553926 170148002 /nfs/dbraw/zinc/14/80/02/170148002.db2.gz VUDSEGYSVTXKPP-OAHLLOKOSA-N 1 0 235.371 3.780 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000035553929 170164137 /nfs/dbraw/zinc/16/41/37/170164137.db2.gz VUDSEGYSVTXKPP-HNNXBMFYSA-N 1 0 235.371 3.780 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C1CC1 ZINC000035554092 170147094 /nfs/dbraw/zinc/14/70/94/170147094.db2.gz RCSLANMRLABFFS-OAHLLOKOSA-N 1 0 233.355 3.534 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)C1CC1 ZINC000035554097 170164086 /nfs/dbraw/zinc/16/40/86/170164086.db2.gz RCSLANMRLABFFS-HNNXBMFYSA-N 1 0 233.355 3.534 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C1CCC1 ZINC000035554189 170147070 /nfs/dbraw/zinc/14/70/70/170147070.db2.gz UGJZOHCFSAMBBL-MRXNPFEDSA-N 1 0 247.382 3.925 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)C1CCC1 ZINC000035554193 170164189 /nfs/dbraw/zinc/16/41/89/170164189.db2.gz UGJZOHCFSAMBBL-INIZCTEOSA-N 1 0 247.382 3.925 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035554204 170147088 /nfs/dbraw/zinc/14/70/88/170147088.db2.gz GXDXEYJAKXQBQO-MAZHCROVSA-N 1 0 247.382 3.780 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035554208 170164183 /nfs/dbraw/zinc/16/41/83/170164183.db2.gz GXDXEYJAKXQBQO-APHBMKBZSA-N 1 0 247.382 3.780 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035554211 170147868 /nfs/dbraw/zinc/14/78/68/170147868.db2.gz GXDXEYJAKXQBQO-RCBQFDQVSA-N 1 0 247.382 3.780 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035554214 170163998 /nfs/dbraw/zinc/16/39/98/170163998.db2.gz GXDXEYJAKXQBQO-VBNZEHGJSA-N 1 0 247.382 3.780 10 0 BHAERO CC[NH2+][C@H](c1cc(F)ccc1OC)[C@H](C)CC ZINC000035554575 170163551 /nfs/dbraw/zinc/16/35/51/170163551.db2.gz OHTIWYPNCXGBAS-YGRLFVJLSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H](C)CC ZINC000035554578 170163120 /nfs/dbraw/zinc/16/31/20/170163120.db2.gz OHTIWYPNCXGBAS-HZMBPMFUSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H](C)CC ZINC000035554581 170147575 /nfs/dbraw/zinc/14/75/75/170147575.db2.gz OHTIWYPNCXGBAS-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)[C@@H](C)CC ZINC000035554584 170147965 /nfs/dbraw/zinc/14/79/65/170147965.db2.gz OHTIWYPNCXGBAS-IINYFYTJSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1OC ZINC000035554651 170143389 /nfs/dbraw/zinc/14/33/89/170143389.db2.gz YBAQQJCXCKVCPD-ZDUSSCGKSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1cc(F)ccc1OC ZINC000035554654 170161054 /nfs/dbraw/zinc/16/10/54/170161054.db2.gz YBAQQJCXCKVCPD-CYBMUJFWSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@H](C)CC ZINC000035570871 170164311 /nfs/dbraw/zinc/16/43/11/170164311.db2.gz ZPBQORIBASSLNB-WQGACYEGSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H](C)CC ZINC000035570875 170164018 /nfs/dbraw/zinc/16/40/18/170164018.db2.gz ZPBQORIBASSLNB-MKBNYLNASA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H](C)CC ZINC000035570880 170148461 /nfs/dbraw/zinc/14/84/61/170148461.db2.gz ZPBQORIBASSLNB-MQIPJXDCSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035570938 170143826 /nfs/dbraw/zinc/14/38/26/170143826.db2.gz FWCVFMYKPKTUIK-WFASDCNBSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035570941 170160760 /nfs/dbraw/zinc/16/07/60/170160760.db2.gz FWCVFMYKPKTUIK-SWLSCSKDSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035570944 170143816 /nfs/dbraw/zinc/14/38/16/170143816.db2.gz FWCVFMYKPKTUIK-DOMZBBRYSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035570947 170160955 /nfs/dbraw/zinc/16/09/55/170160955.db2.gz FWCVFMYKPKTUIK-IUODEOHRSA-N 1 0 247.382 3.707 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H](C)CC ZINC000035571544 170164062 /nfs/dbraw/zinc/16/40/62/170164062.db2.gz NIMBURNPUBWUOL-ABAIWWIYSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H](C)CC ZINC000035571546 170164456 /nfs/dbraw/zinc/16/44/56/170164456.db2.gz NIMBURNPUBWUOL-NHYWBVRUSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H](C)CC ZINC000035571548 170147599 /nfs/dbraw/zinc/14/75/99/170147599.db2.gz NIMBURNPUBWUOL-IAQYHMDHSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H](C)CC ZINC000035571550 170147591 /nfs/dbraw/zinc/14/75/91/170147591.db2.gz NIMBURNPUBWUOL-XHDPSFHLSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(C)c1 ZINC000035571595 170144116 /nfs/dbraw/zinc/14/41/16/170144116.db2.gz XRJFOPLBPCNWLE-AWEZNQCLSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)c(C)c1 ZINC000035571597 170161235 /nfs/dbraw/zinc/16/12/35/170161235.db2.gz XRJFOPLBPCNWLE-CQSZACIVSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)C1CCCC1 ZINC000035571678 170147310 /nfs/dbraw/zinc/14/73/10/170147310.db2.gz ZJYFEBVCCLNWLZ-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)C1CCCC1 ZINC000035571680 170164383 /nfs/dbraw/zinc/16/43/83/170164383.db2.gz ZJYFEBVCCLNWLZ-INIZCTEOSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H](C)CC ZINC000035572251 170164019 /nfs/dbraw/zinc/16/40/19/170164019.db2.gz GHHVONHUIRCZFM-YGRLFVJLSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@@H](C)CC ZINC000035572253 170164116 /nfs/dbraw/zinc/16/41/16/170164116.db2.gz GHHVONHUIRCZFM-HZMBPMFUSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H](C)CC ZINC000035572255 170148008 /nfs/dbraw/zinc/14/80/08/170148008.db2.gz GHHVONHUIRCZFM-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@@H](C)CC ZINC000035572257 170148029 /nfs/dbraw/zinc/14/80/29/170148029.db2.gz GHHVONHUIRCZFM-IINYFYTJSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(F)c1 ZINC000035572303 170143942 /nfs/dbraw/zinc/14/39/42/170143942.db2.gz QCHGLRMNUXLJDP-ZDUSSCGKSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)c(F)c1 ZINC000035572305 170160828 /nfs/dbraw/zinc/16/08/28/170160828.db2.gz QCHGLRMNUXLJDP-CYBMUJFWSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(C)c(C)c1 ZINC000035572732 169279101 /nfs/dbraw/zinc/27/91/01/169279101.db2.gz OSMRTQPZGRLCAB-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(C)c(C)c1 ZINC000035572733 169290219 /nfs/dbraw/zinc/29/02/19/169290219.db2.gz OSMRTQPZGRLCAB-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(C)c(C)c1 ZINC000035572734 169290648 /nfs/dbraw/zinc/29/06/48/169290648.db2.gz ORZGBXQWHSQICD-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(C)c(C)c1 ZINC000035572735 169280236 /nfs/dbraw/zinc/28/02/36/169280236.db2.gz ORZGBXQWHSQICD-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000035572870 169278845 /nfs/dbraw/zinc/27/88/45/169278845.db2.gz RMQMLSNPSCRTTC-HOTGVXAUSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000035572871 169289771 /nfs/dbraw/zinc/28/97/71/169289771.db2.gz RMQMLSNPSCRTTC-JKSUJKDBSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000035572872 169279415 /nfs/dbraw/zinc/27/94/15/169279415.db2.gz RMQMLSNPSCRTTC-CVEARBPZSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000035572873 169289555 /nfs/dbraw/zinc/28/95/55/169289555.db2.gz RMQMLSNPSCRTTC-HZPDHXFCSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035574658 169280742 /nfs/dbraw/zinc/28/07/42/169280742.db2.gz IYZAKCORDKSVLA-HNNXBMFYSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035574660 169290074 /nfs/dbraw/zinc/29/00/74/169290074.db2.gz IYZAKCORDKSVLA-OAHLLOKOSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(F)cc1 ZINC000035574662 169281131 /nfs/dbraw/zinc/28/11/31/169281131.db2.gz VKYGKBFZLIRVIW-AWEZNQCLSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(F)cc1 ZINC000035574664 169289942 /nfs/dbraw/zinc/28/99/42/169289942.db2.gz VKYGKBFZLIRVIW-CQSZACIVSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(F)cc1 ZINC000035574670 169280329 /nfs/dbraw/zinc/28/03/29/169280329.db2.gz KTIQIPPTLWIYQZ-AWEZNQCLSA-N 1 0 233.286 3.508 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(F)cc1 ZINC000035574672 169290222 /nfs/dbraw/zinc/29/02/22/169290222.db2.gz KTIQIPPTLWIYQZ-CQSZACIVSA-N 1 0 233.286 3.508 10 0 BHAERO CCC[NH2+][C@H](c1occc1C)c1ccc(F)cc1 ZINC000035574682 169280455 /nfs/dbraw/zinc/28/04/55/169280455.db2.gz FBZXGGCBQDDGJD-AWEZNQCLSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@@H](c1occc1C)c1ccc(F)cc1 ZINC000035574684 169289900 /nfs/dbraw/zinc/28/99/00/169289900.db2.gz FBZXGGCBQDDGJD-CQSZACIVSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1C)c1ccc(F)cc1 ZINC000035574697 169280887 /nfs/dbraw/zinc/28/08/87/169280887.db2.gz JYSRGMQFWKRVTF-HNNXBMFYSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccc(F)cc1 ZINC000035574699 169289938 /nfs/dbraw/zinc/28/99/38/169289938.db2.gz JYSRGMQFWKRVTF-OAHLLOKOSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000035574701 169280314 /nfs/dbraw/zinc/28/03/14/169280314.db2.gz ASIUPJBVOJYURN-AWEZNQCLSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000035574703 169289718 /nfs/dbraw/zinc/28/97/18/169289718.db2.gz ASIUPJBVOJYURN-CQSZACIVSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccccc1 ZINC000035575552 169280891 /nfs/dbraw/zinc/28/08/91/169280891.db2.gz MRWXDKNNBXSEGL-HNNXBMFYSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccccc1 ZINC000035575554 169290439 /nfs/dbraw/zinc/29/04/39/169290439.db2.gz MRWXDKNNBXSEGL-OAHLLOKOSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@H](c1occc1C)c1ccccc1 ZINC000035575581 169280257 /nfs/dbraw/zinc/28/02/57/169280257.db2.gz IGTHAQFMBHEREU-AWEZNQCLSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1occc1C)c1ccccc1 ZINC000035575584 169290726 /nfs/dbraw/zinc/29/07/26/169290726.db2.gz IGTHAQFMBHEREU-CQSZACIVSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1C)c1ccccc1 ZINC000035575606 169280265 /nfs/dbraw/zinc/28/02/65/169280265.db2.gz UGBYCCNUBYXEKT-HNNXBMFYSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccccc1 ZINC000035575610 169290555 /nfs/dbraw/zinc/29/05/55/169290555.db2.gz UGBYCCNUBYXEKT-OAHLLOKOSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1ccccc1)c1ccccc1F ZINC000035576004 169281200 /nfs/dbraw/zinc/28/12/00/169281200.db2.gz IKGYWWCCDFOZDX-INIZCTEOSA-N 1 0 243.325 3.915 10 0 BHAERO CCC[NH2+][C@H](c1ccccc1)c1ccccc1F ZINC000035576007 169290932 /nfs/dbraw/zinc/29/09/32/169290932.db2.gz IKGYWWCCDFOZDX-MRXNPFEDSA-N 1 0 243.325 3.915 10 0 BHAERO CCC[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000035576029 169280757 /nfs/dbraw/zinc/28/07/57/169280757.db2.gz BUVWXIJGEAMLDV-INIZCTEOSA-N 1 0 243.325 3.915 10 0 BHAERO CCC[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000035576032 169290731 /nfs/dbraw/zinc/29/07/31/169290731.db2.gz BUVWXIJGEAMLDV-MRXNPFEDSA-N 1 0 243.325 3.915 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)CC ZINC000035576523 169280573 /nfs/dbraw/zinc/28/05/73/169280573.db2.gz KTRKWDRVBQZQDO-SWLSCSKDSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)CC ZINC000035576526 169289716 /nfs/dbraw/zinc/28/97/16/169289716.db2.gz KTRKWDRVBQZQDO-WFASDCNBSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)CC ZINC000035576529 169280271 /nfs/dbraw/zinc/28/02/71/169280271.db2.gz KTRKWDRVBQZQDO-IUODEOHRSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)CC ZINC000035576532 169289934 /nfs/dbraw/zinc/28/99/34/169289934.db2.gz KTRKWDRVBQZQDO-DOMZBBRYSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000035576594 169276781 /nfs/dbraw/zinc/27/67/81/169276781.db2.gz FBCKTLCWMYWBHS-HNNXBMFYSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OC)cc1 ZINC000035576597 169288492 /nfs/dbraw/zinc/28/84/92/169288492.db2.gz FBCKTLCWMYWBHS-OAHLLOKOSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)C1CCCC1 ZINC000035576688 169281233 /nfs/dbraw/zinc/28/12/33/169281233.db2.gz VDIOTROAECKZQN-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1)C1CCCC1 ZINC000035576690 169290161 /nfs/dbraw/zinc/29/01/61/169290161.db2.gz VDIOTROAECKZQN-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)C1CCC1 ZINC000035576692 169280152 /nfs/dbraw/zinc/28/01/52/169280152.db2.gz ZESHVVCKMKHHJM-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1)C1CCC1 ZINC000035576695 169290092 /nfs/dbraw/zinc/29/00/92/169290092.db2.gz ZESHVVCKMKHHJM-HNNXBMFYSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)cc1 ZINC000035576769 169279799 /nfs/dbraw/zinc/27/97/99/169279799.db2.gz ZOYZLAJLUFFQCT-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)cc1 ZINC000035576772 169289623 /nfs/dbraw/zinc/28/96/23/169289623.db2.gz ZOYZLAJLUFFQCT-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(C)cc1 ZINC000035576781 169279248 /nfs/dbraw/zinc/27/92/48/169279248.db2.gz ABQWFRITSWIRRL-HNNXBMFYSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(C)cc1 ZINC000035576784 169289695 /nfs/dbraw/zinc/28/96/95/169289695.db2.gz ABQWFRITSWIRRL-OAHLLOKOSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(C)cc1 ZINC000035576787 169279135 /nfs/dbraw/zinc/27/91/35/169279135.db2.gz RKUKPQSAZYIEGT-HNNXBMFYSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(C)cc1 ZINC000035576790 169290190 /nfs/dbraw/zinc/29/01/90/169290190.db2.gz RKUKPQSAZYIEGT-OAHLLOKOSA-N 1 0 229.323 3.677 10 0 BHAERO CCC[NH2+][C@H](c1occc1C)c1ccc(C)cc1 ZINC000035576806 169279243 /nfs/dbraw/zinc/27/92/43/169279243.db2.gz YMGLVSWIZKNFKA-HNNXBMFYSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1occc1C)c1ccc(C)cc1 ZINC000035576809 169290005 /nfs/dbraw/zinc/29/00/05/169290005.db2.gz YMGLVSWIZKNFKA-OAHLLOKOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1C)c1ccc(C)cc1 ZINC000035576830 169278929 /nfs/dbraw/zinc/27/89/29/169278929.db2.gz KOHSSNUJCMCHGX-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccc(C)cc1 ZINC000035576833 169290040 /nfs/dbraw/zinc/29/00/40/169290040.db2.gz KOHSSNUJCMCHGX-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC000035577357 169278346 /nfs/dbraw/zinc/27/83/46/169278346.db2.gz TZLUJUQZQRGZKN-LBPRGKRZSA-N 1 0 245.288 3.988 10 0 BHAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC000035577360 169288185 /nfs/dbraw/zinc/28/81/85/169288185.db2.gz TZLUJUQZQRGZKN-GFCCVEGCSA-N 1 0 245.288 3.988 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)C1CC1 ZINC000035577647 169280996 /nfs/dbraw/zinc/28/09/96/169280996.db2.gz VEWSRXNIRCGNAP-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)C1CC1 ZINC000035577649 169290060 /nfs/dbraw/zinc/29/00/60/169290060.db2.gz VEWSRXNIRCGNAP-HNNXBMFYSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)C1CCC1 ZINC000035577702 169281006 /nfs/dbraw/zinc/28/10/06/169281006.db2.gz IGTNBZRSRZNQGO-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)C1CCC1 ZINC000035577704 169290163 /nfs/dbraw/zinc/29/01/63/169290163.db2.gz IGTNBZRSRZNQGO-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1C[C@@H]1C ZINC000035577710 169280391 /nfs/dbraw/zinc/28/03/91/169280391.db2.gz AKFHKNLOPBACJQ-MAZHCROVSA-N 1 0 247.382 3.782 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1C[C@@H]1C ZINC000035577712 169290078 /nfs/dbraw/zinc/29/00/78/169290078.db2.gz AKFHKNLOPBACJQ-APHBMKBZSA-N 1 0 247.382 3.782 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H]1C[C@@H]1C ZINC000035577715 169280798 /nfs/dbraw/zinc/28/07/98/169280798.db2.gz AKFHKNLOPBACJQ-RCBQFDQVSA-N 1 0 247.382 3.782 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1C[C@@H]1C ZINC000035577718 169289622 /nfs/dbraw/zinc/28/96/22/169289622.db2.gz AKFHKNLOPBACJQ-VBNZEHGJSA-N 1 0 247.382 3.782 10 0 BHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H](C)CC ZINC000035579259 169281022 /nfs/dbraw/zinc/28/10/22/169281022.db2.gz YWEGSJCPIMESGU-BLLLJJGKSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H](C)CC ZINC000035579262 169289641 /nfs/dbraw/zinc/28/96/41/169289641.db2.gz YWEGSJCPIMESGU-LRDDRELGSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H](C)CC ZINC000035579265 169280605 /nfs/dbraw/zinc/28/06/05/169280605.db2.gz YWEGSJCPIMESGU-MLGOLLRUSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@H](C)CC ZINC000035579268 169290238 /nfs/dbraw/zinc/29/02/38/169290238.db2.gz YWEGSJCPIMESGU-WBMJQRKESA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCO2 ZINC000035579299 169277003 /nfs/dbraw/zinc/27/70/03/169277003.db2.gz MNFAVYVHCSACFU-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCO2 ZINC000035579302 169288503 /nfs/dbraw/zinc/28/85/03/169288503.db2.gz MNFAVYVHCSACFU-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(C)cc1C ZINC000035579405 169290588 /nfs/dbraw/zinc/29/05/88/169290588.db2.gz QTYRKLZBXUVZRX-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(C)cc1C ZINC000035579407 169281121 /nfs/dbraw/zinc/28/11/21/169281121.db2.gz QTYRKLZBXUVZRX-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(C)cc1C ZINC000035579409 169280676 /nfs/dbraw/zinc/28/06/76/169280676.db2.gz HSNJTXJEWUHPGG-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(C)cc1C ZINC000035579411 169291000 /nfs/dbraw/zinc/29/10/00/169291000.db2.gz HSNJTXJEWUHPGG-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000035579664 169278878 /nfs/dbraw/zinc/27/88/78/169278878.db2.gz QUKQWCNVLVIWSH-HOTGVXAUSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000035579666 169289571 /nfs/dbraw/zinc/28/95/71/169289571.db2.gz QUKQWCNVLVIWSH-JKSUJKDBSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000035579668 169279111 /nfs/dbraw/zinc/27/91/11/169279111.db2.gz QUKQWCNVLVIWSH-CVEARBPZSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000035579670 169289987 /nfs/dbraw/zinc/28/99/87/169289987.db2.gz QUKQWCNVLVIWSH-HZPDHXFCSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)C1CCC1 ZINC000035579985 169280508 /nfs/dbraw/zinc/28/05/08/169280508.db2.gz ZVYFNARVLMECJL-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)C1CCC1 ZINC000035579987 169290108 /nfs/dbraw/zinc/29/01/08/169290108.db2.gz ZVYFNARVLMECJL-INIZCTEOSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1C[C@@H]1C ZINC000035579993 169281245 /nfs/dbraw/zinc/28/12/45/169281245.db2.gz CWCMARNGAHQGHI-MAZHCROVSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1C[C@@H]1C ZINC000035579995 169289794 /nfs/dbraw/zinc/28/97/94/169289794.db2.gz CWCMARNGAHQGHI-APHBMKBZSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1C[C@@H]1C ZINC000035579997 169280365 /nfs/dbraw/zinc/28/03/65/169280365.db2.gz CWCMARNGAHQGHI-RCBQFDQVSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1C[C@@H]1C ZINC000035579999 169289867 /nfs/dbraw/zinc/28/98/67/169289867.db2.gz CWCMARNGAHQGHI-VBNZEHGJSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)C1CCC1 ZINC000035580360 169279055 /nfs/dbraw/zinc/27/90/55/169279055.db2.gz VUKADKNSGWNHOT-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@H](c1cc(F)ccc1F)C1CCC1 ZINC000035580362 169290087 /nfs/dbraw/zinc/29/00/87/169290087.db2.gz VUKADKNSGWNHOT-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1C[C@@H]1C ZINC000035580371 169279070 /nfs/dbraw/zinc/27/90/70/169279070.db2.gz KTBXSNMFIQKXBN-DRCTWCGVSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1C[C@@H]1C ZINC000035580373 169289808 /nfs/dbraw/zinc/28/98/08/169289808.db2.gz KTBXSNMFIQKXBN-PXWWUCIGSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1C[C@@H]1C ZINC000035580375 169278854 /nfs/dbraw/zinc/27/88/54/169278854.db2.gz KTBXSNMFIQKXBN-NURSFMCSSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1C[C@@H]1C ZINC000035580377 169290119 /nfs/dbraw/zinc/29/01/19/169290119.db2.gz KTBXSNMFIQKXBN-CHIMOYNISA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CC1 ZINC000035580897 169278916 /nfs/dbraw/zinc/27/89/16/169278916.db2.gz SREWVMWFVAXNAO-CYBMUJFWSA-N 1 0 243.272 3.555 10 0 BHAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CC1 ZINC000035580899 169290157 /nfs/dbraw/zinc/29/01/57/169290157.db2.gz SREWVMWFVAXNAO-ZDUSSCGKSA-N 1 0 243.272 3.555 10 0 BHAERO CCC[NH2+][C@@H](c1cccs1)C(C)(C)C ZINC000035581131 169280312 /nfs/dbraw/zinc/28/03/12/169280312.db2.gz BGJRLPOHRMYTDK-NSHDSACASA-N 1 0 211.374 3.835 10 0 BHAERO CCC[NH2+][C@H](c1cccs1)C(C)(C)C ZINC000035581133 169290768 /nfs/dbraw/zinc/29/07/68/169290768.db2.gz BGJRLPOHRMYTDK-LLVKDONJSA-N 1 0 211.374 3.835 10 0 BHAERO CCC[NH2+][C@H](c1cccs1)c1ccccc1F ZINC000035581261 169291094 /nfs/dbraw/zinc/29/10/94/169291094.db2.gz ZOGDIJWSQSAQBX-AWEZNQCLSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@@H](c1cccs1)c1ccccc1F ZINC000035581262 169281096 /nfs/dbraw/zinc/28/10/96/169281096.db2.gz ZOGDIJWSQSAQBX-CQSZACIVSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@H](c1cccs1)c1cccc(F)c1 ZINC000035581271 169281040 /nfs/dbraw/zinc/28/10/40/169281040.db2.gz JPIFLKRQSXNEAA-AWEZNQCLSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@@H](c1cccs1)c1cccc(F)c1 ZINC000035581272 169290816 /nfs/dbraw/zinc/29/08/16/169290816.db2.gz JPIFLKRQSXNEAA-CQSZACIVSA-N 1 0 249.354 3.976 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1cc(C)ccc1C ZINC000035581537 169280625 /nfs/dbraw/zinc/28/06/25/169280625.db2.gz SCYAQDHROWEMNP-INIZCTEOSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1cc(C)ccc1C ZINC000035581538 169290739 /nfs/dbraw/zinc/29/07/39/169290739.db2.gz SCYAQDHROWEMNP-MRXNPFEDSA-N 1 0 243.350 3.985 10 0 BHAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000035581670 169279501 /nfs/dbraw/zinc/27/95/01/169279501.db2.gz SBMGRCHNQABQEK-HOTGVXAUSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000035581671 169289636 /nfs/dbraw/zinc/28/96/36/169289636.db2.gz SBMGRCHNQABQEK-JKSUJKDBSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000035581672 169279191 /nfs/dbraw/zinc/27/91/91/169279191.db2.gz SBMGRCHNQABQEK-CVEARBPZSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000035581673 169289626 /nfs/dbraw/zinc/28/96/26/169289626.db2.gz SBMGRCHNQABQEK-HZPDHXFCSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)C1CCC1 ZINC000035582033 169280505 /nfs/dbraw/zinc/28/05/05/169280505.db2.gz QFXXIWMPYIDOTE-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)cc1F)C1CCC1 ZINC000035582034 169289739 /nfs/dbraw/zinc/28/97/39/169289739.db2.gz QFXXIWMPYIDOTE-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035582039 169281145 /nfs/dbraw/zinc/28/11/45/169281145.db2.gz CAUSLZQMLSMGOE-BHYNMZESSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035582040 169290184 /nfs/dbraw/zinc/29/01/84/169290184.db2.gz CAUSLZQMLSMGOE-MRCXROJRSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035582041 169281034 /nfs/dbraw/zinc/28/10/34/169281034.db2.gz CAUSLZQMLSMGOE-WFBYXXMGSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035582042 169290097 /nfs/dbraw/zinc/29/00/97/169290097.db2.gz CAUSLZQMLSMGOE-DUFXMDAXSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C1CCC1 ZINC000035582507 169280853 /nfs/dbraw/zinc/28/08/53/169280853.db2.gz VGORNLKEXXXPJN-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCC1 ZINC000035582508 169289682 /nfs/dbraw/zinc/28/96/82/169289682.db2.gz VGORNLKEXXXPJN-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1C ZINC000035582513 169280660 /nfs/dbraw/zinc/28/06/60/169280660.db2.gz XEIMEEKFEDVSMG-PXWWUCIGSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1C ZINC000035582514 169289546 /nfs/dbraw/zinc/28/95/46/169289546.db2.gz XEIMEEKFEDVSMG-DRCTWCGVSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1C[C@@H]1C ZINC000035582515 169280718 /nfs/dbraw/zinc/28/07/18/169280718.db2.gz XEIMEEKFEDVSMG-CHIMOYNISA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1C[C@@H]1C ZINC000035582516 169290035 /nfs/dbraw/zinc/29/00/35/169290035.db2.gz XEIMEEKFEDVSMG-NURSFMCSSA-N 1 0 239.309 3.662 10 0 BHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(CC)cc1 ZINC000035582535 169280512 /nfs/dbraw/zinc/28/05/12/169280512.db2.gz AUKAHWCUXQGHIN-INIZCTEOSA-N 1 0 243.350 3.931 10 0 BHAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(CC)cc1 ZINC000035582536 169290232 /nfs/dbraw/zinc/29/02/32/169290232.db2.gz AUKAHWCUXQGHIN-MRXNPFEDSA-N 1 0 243.350 3.931 10 0 BHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(CC)cc1 ZINC000035582537 169280959 /nfs/dbraw/zinc/28/09/59/169280959.db2.gz ASFFPUCPLJTBLV-INIZCTEOSA-N 1 0 243.350 3.931 10 0 BHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(CC)cc1 ZINC000035582538 169290053 /nfs/dbraw/zinc/29/00/53/169290053.db2.gz ASFFPUCPLJTBLV-MRXNPFEDSA-N 1 0 243.350 3.931 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1C[C@@H]1C ZINC000035582686 169281263 /nfs/dbraw/zinc/28/12/63/169281263.db2.gz CEGNEJGNCZWAEO-MAZHCROVSA-N 1 0 231.383 3.946 10 0 BHAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1C[C@@H]1C ZINC000035582687 169289582 /nfs/dbraw/zinc/28/95/82/169289582.db2.gz CEGNEJGNCZWAEO-APHBMKBZSA-N 1 0 231.383 3.946 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1C[C@@H]1C ZINC000035582688 169280815 /nfs/dbraw/zinc/28/08/15/169280815.db2.gz CEGNEJGNCZWAEO-RCBQFDQVSA-N 1 0 231.383 3.946 10 0 BHAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1C[C@@H]1C ZINC000035582689 169290123 /nfs/dbraw/zinc/29/01/23/169290123.db2.gz CEGNEJGNCZWAEO-VBNZEHGJSA-N 1 0 231.383 3.946 10 0 BHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CC1 ZINC000035583124 169280217 /nfs/dbraw/zinc/28/02/17/169280217.db2.gz NOAHTTULMUIZJR-MRXNPFEDSA-N 1 0 229.367 3.626 10 0 BHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CC1 ZINC000035583125 169289579 /nfs/dbraw/zinc/28/95/79/169289579.db2.gz NOAHTTULMUIZJR-INIZCTEOSA-N 1 0 229.367 3.626 10 0 BHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1C ZINC000035583148 169280461 /nfs/dbraw/zinc/28/04/61/169280461.db2.gz DESRZFGCNVCKSC-VUCTXSBTSA-N 1 0 243.394 3.872 10 0 BHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1C ZINC000035583149 169289828 /nfs/dbraw/zinc/28/98/28/169289828.db2.gz DESRZFGCNVCKSC-JCURWCKSSA-N 1 0 243.394 3.872 10 0 BHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H]1C[C@@H]1C ZINC000035583150 169280709 /nfs/dbraw/zinc/28/07/09/169280709.db2.gz DESRZFGCNVCKSC-ZLIFDBKOSA-N 1 0 243.394 3.872 10 0 BHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@H]1C[C@@H]1C ZINC000035583151 169290051 /nfs/dbraw/zinc/29/00/51/169290051.db2.gz DESRZFGCNVCKSC-AFAVFJNCSA-N 1 0 243.394 3.872 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C1CC1 ZINC000035583812 169280721 /nfs/dbraw/zinc/28/07/21/169280721.db2.gz YZEZGLIMHKZBRL-MRXNPFEDSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC(C)C)cc1)C1CC1 ZINC000035583813 169289979 /nfs/dbraw/zinc/28/99/79/169289979.db2.gz YZEZGLIMHKZBRL-INIZCTEOSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)C(C)C ZINC000035583868 169279709 /nfs/dbraw/zinc/27/97/09/169279709.db2.gz CVBYAAXYBGUQQC-CQSZACIVSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)C(C)C ZINC000035583869 169289985 /nfs/dbraw/zinc/28/99/85/169289985.db2.gz CVBYAAXYBGUQQC-AWEZNQCLSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)C(C)C ZINC000035586925 169280296 /nfs/dbraw/zinc/28/02/96/169280296.db2.gz OZVMKUMENJMUSM-OAHLLOKOSA-N 1 0 235.371 3.700 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)C(C)C ZINC000035586926 169290070 /nfs/dbraw/zinc/29/00/70/169290070.db2.gz OZVMKUMENJMUSM-HNNXBMFYSA-N 1 0 235.371 3.700 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccc(OC)c(C)c1 ZINC000035586927 169277778 /nfs/dbraw/zinc/27/77/78/169277778.db2.gz MBFZNYAJRHBOHC-AWEZNQCLSA-N 1 0 235.371 3.844 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccc(OC)c(C)c1 ZINC000035586928 169289095 /nfs/dbraw/zinc/28/90/95/169289095.db2.gz MBFZNYAJRHBOHC-CQSZACIVSA-N 1 0 235.371 3.844 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)C1CCC1 ZINC000035586999 169280231 /nfs/dbraw/zinc/28/02/31/169280231.db2.gz UOWXBRSSIHMGRL-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)C1CCC1 ZINC000035587000 169290022 /nfs/dbraw/zinc/29/00/22/169290022.db2.gz UOWXBRSSIHMGRL-INIZCTEOSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035587003 169281155 /nfs/dbraw/zinc/28/11/55/169281155.db2.gz ULTAEHVPHZWYNC-PEYYIBSZSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035587004 169290148 /nfs/dbraw/zinc/29/01/48/169290148.db2.gz ULTAEHVPHZWYNC-SGIREYDYSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H]1C[C@@H]1C ZINC000035587005 169281221 /nfs/dbraw/zinc/28/12/21/169281221.db2.gz ULTAEHVPHZWYNC-PJODQICGSA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H]1C[C@@H]1C ZINC000035587006 169290129 /nfs/dbraw/zinc/29/01/29/169290129.db2.gz ULTAEHVPHZWYNC-HZUKXOBISA-N 1 0 247.382 3.700 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccc(OC)c(F)c1 ZINC000035587171 169277707 /nfs/dbraw/zinc/27/77/07/169277707.db2.gz YNGQNLFXTVCXAI-ZDUSSCGKSA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccc(OC)c(F)c1 ZINC000035587173 169289115 /nfs/dbraw/zinc/28/91/15/169289115.db2.gz YNGQNLFXTVCXAI-CYBMUJFWSA-N 1 0 239.334 3.675 10 0 BHAERO C[C@H](CO)[NH2+]C1CCCCCCCCCCC1 ZINC000035603695 176705723 /nfs/dbraw/zinc/70/57/23/176705723.db2.gz ICCXZWOMYLEBMG-CQSZACIVSA-N 1 0 241.419 3.630 10 0 BHAERO C[NH2+][C@H](C)c1cc(C)ccc1OC1CCCCC1 ZINC000035629568 173448362 /nfs/dbraw/zinc/44/83/62/173448362.db2.gz DWUQLQOGFMPLIB-CYBMUJFWSA-N 1 0 247.382 3.987 10 0 BHAERO C[NH2+][C@H](C)c1cc(C)ccc1OC1CCCC1 ZINC000035629654 173448541 /nfs/dbraw/zinc/44/85/41/173448541.db2.gz UGGJSRNEYQEVKE-GFCCVEGCSA-N 1 0 233.355 3.597 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCC(C)C ZINC000035629672 170141179 /nfs/dbraw/zinc/14/11/79/170141179.db2.gz XEUWRZNGWNEVQZ-ZDUSSCGKSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC(C)C ZINC000035629673 170159507 /nfs/dbraw/zinc/15/95/07/170159507.db2.gz XEUWRZNGWNEVQZ-CYBMUJFWSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](C)c1cc(C)ccc1O[C@H](C)CC ZINC000035629716 170158865 /nfs/dbraw/zinc/15/88/65/170158865.db2.gz LPHUKQMIYBUJMB-CHWSQXEVSA-N 1 0 235.371 3.843 10 0 BHAERO CC[NH2+][C@H](C)c1cc(C)ccc1O[C@@H](C)CC ZINC000035629717 170159455 /nfs/dbraw/zinc/15/94/55/170159455.db2.gz LPHUKQMIYBUJMB-QWHCGFSZSA-N 1 0 235.371 3.843 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(C)ccc1O[C@H](C)CC ZINC000035629718 170140685 /nfs/dbraw/zinc/14/06/85/170140685.db2.gz LPHUKQMIYBUJMB-OLZOCXBDSA-N 1 0 235.371 3.843 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(C)ccc1O[C@@H](C)CC ZINC000035629719 170140623 /nfs/dbraw/zinc/14/06/23/170140623.db2.gz LPHUKQMIYBUJMB-STQMWFEESA-N 1 0 235.371 3.843 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OC1CCCC1 ZINC000035629798 170140690 /nfs/dbraw/zinc/14/06/90/170140690.db2.gz KZLZTCFMSISDOV-ZDUSSCGKSA-N 1 0 247.382 3.987 10 0 BHAERO CC[NH2+][C@H](C)c1cc(C)ccc1OC1CCCC1 ZINC000035629799 170158921 /nfs/dbraw/zinc/15/89/21/170158921.db2.gz KZLZTCFMSISDOV-CYBMUJFWSA-N 1 0 247.382 3.987 10 0 BHAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1OCCC ZINC000035629896 169275941 /nfs/dbraw/zinc/27/59/41/169275941.db2.gz CHJDEQGWCAEBQW-ZDUSSCGKSA-N 1 0 235.371 3.844 10 0 BHAERO CCC[NH2+][C@H](C)c1cc(C)ccc1OCCC ZINC000035629897 169287400 /nfs/dbraw/zinc/28/74/00/169287400.db2.gz CHJDEQGWCAEBQW-CYBMUJFWSA-N 1 0 235.371 3.844 10 0 BHAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1OC(C)C ZINC000035629933 169275789 /nfs/dbraw/zinc/27/57/89/169275789.db2.gz MRLDOXRKSQPWTO-ZDUSSCGKSA-N 1 0 235.371 3.843 10 0 BHAERO CCC[NH2+][C@H](C)c1cc(C)ccc1OC(C)C ZINC000035629935 169287560 /nfs/dbraw/zinc/28/75/60/169287560.db2.gz MRLDOXRKSQPWTO-CYBMUJFWSA-N 1 0 235.371 3.843 10 0 BHAERO CC[C@@H](C)Oc1ccc2ccccc2c1C[NH2+]C ZINC000035630634 170766761 /nfs/dbraw/zinc/76/67/61/170766761.db2.gz SDYYTUBZNDDKNP-GFCCVEGCSA-N 1 0 243.350 3.737 10 0 BHAERO CC[C@H](C)Oc1ccc2ccccc2c1C[NH2+]C ZINC000035630635 171356331 /nfs/dbraw/zinc/35/63/31/171356331.db2.gz SDYYTUBZNDDKNP-LBPRGKRZSA-N 1 0 243.350 3.737 10 0 BHAERO CC[NH2+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000035652720 170150750 /nfs/dbraw/zinc/15/07/50/170150750.db2.gz BDCNZUMWVOOANQ-OAHLLOKOSA-N 1 0 241.334 3.663 10 0 BHAERO CC[NH2+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000035652721 170166482 /nfs/dbraw/zinc/16/64/82/170166482.db2.gz BDCNZUMWVOOANQ-HNNXBMFYSA-N 1 0 241.334 3.663 10 0 BHAERO CC(C)[NH2+][C@@H]1CCOc2c3ccccc3ccc21 ZINC000035652726 167134576 /nfs/dbraw/zinc/13/45/76/167134576.db2.gz HBHPFNLDOBNXOS-OAHLLOKOSA-N 1 0 241.334 3.661 10 0 BHAERO CC(C)[NH2+][C@H]1CCOc2c3ccccc3ccc21 ZINC000035652727 167140017 /nfs/dbraw/zinc/14/00/17/167140017.db2.gz HBHPFNLDOBNXOS-HNNXBMFYSA-N 1 0 241.334 3.661 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2c3ccccc3ccc21 ZINC000035652728 169283492 /nfs/dbraw/zinc/28/34/92/169283492.db2.gz PPGKZZKYYHKUQA-OAHLLOKOSA-N 1 0 241.334 3.663 10 0 BHAERO CCC[NH2+][C@H]1CCOc2c3ccccc3ccc21 ZINC000035652729 169291395 /nfs/dbraw/zinc/29/13/95/169291395.db2.gz PPGKZZKYYHKUQA-HNNXBMFYSA-N 1 0 241.334 3.663 10 0 BHAERO Cc1cc(C)c2c(c1)OCCC[C@@H]2[NH2+]C(C)C ZINC000035652902 177882065 /nfs/dbraw/zinc/88/20/65/177882065.db2.gz OWLLVQXFPGEQJO-ZDUSSCGKSA-N 1 0 233.355 3.515 10 0 BHAERO CCC[NH2+][C@@H]1CCCOc2cc(C)cc(C)c21 ZINC000035652904 169281800 /nfs/dbraw/zinc/28/18/00/169281800.db2.gz FYCWKMGHQFLNSS-CYBMUJFWSA-N 1 0 233.355 3.517 10 0 BHAERO CCC[NH2+][C@H]1CCCOc2cc(C)cc(C)c21 ZINC000035652905 169291092 /nfs/dbraw/zinc/29/10/92/169291092.db2.gz FYCWKMGHQFLNSS-ZDUSSCGKSA-N 1 0 233.355 3.517 10 0 BHAERO C[NH2+][C@@H]1CCCOc2c1cc(C)cc2C(C)(C)C ZINC000035652979 173434564 /nfs/dbraw/zinc/43/45/64/173434564.db2.gz VAPNRRNQYMAAQX-CQSZACIVSA-N 1 0 247.382 3.726 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c1cc(C)cc2C(C)(C)C ZINC000035652992 170152756 /nfs/dbraw/zinc/15/27/56/170152756.db2.gz IUIFJYMDRQPQHC-CQSZACIVSA-N 1 0 247.382 3.726 10 0 BHAERO CC[NH2+][C@H]1CCOc2c1cc(C)cc2C(C)(C)C ZINC000035652994 170169092 /nfs/dbraw/zinc/16/90/92/170169092.db2.gz IUIFJYMDRQPQHC-AWEZNQCLSA-N 1 0 247.382 3.726 10 0 BHAERO Cc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2[NH2+]C(C)C ZINC000035653004 178281665 /nfs/dbraw/zinc/28/16/65/178281665.db2.gz VNSSZAYXAHXBNM-AWEZNQCLSA-N 1 0 247.382 3.724 10 0 BHAERO Cc1cc2c(c(C(C)(C)C)c1)OC[C@H]2[NH2+]C(C)C ZINC000035653006 178282552 /nfs/dbraw/zinc/28/25/52/178282552.db2.gz VNSSZAYXAHXBNM-CQSZACIVSA-N 1 0 247.382 3.724 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1cc(C)cc2C(C)(C)C ZINC000035653008 169282759 /nfs/dbraw/zinc/28/27/59/169282759.db2.gz MBGKIIBAVQRQEU-CQSZACIVSA-N 1 0 247.382 3.726 10 0 BHAERO CCC[NH2+][C@H]1COc2c1cc(C)cc2C(C)(C)C ZINC000035653010 169292803 /nfs/dbraw/zinc/29/28/03/169292803.db2.gz MBGKIIBAVQRQEU-AWEZNQCLSA-N 1 0 247.382 3.726 10 0 BHAERO C[NH2+][C@H]1CCCOc2c(C(C)(C)C)ccc(C)c21 ZINC000035653195 173461773 /nfs/dbraw/zinc/46/17/73/173461773.db2.gz XZBLHWXETSUYAX-ZDUSSCGKSA-N 1 0 247.382 3.726 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c(C(C)(C)C)ccc(C)c21 ZINC000035653209 170152637 /nfs/dbraw/zinc/15/26/37/170152637.db2.gz BPBZOXCDZOKJFH-CYBMUJFWSA-N 1 0 247.382 3.726 10 0 BHAERO CC[NH2+][C@H]1CCOc2c(C(C)(C)C)ccc(C)c21 ZINC000035653210 170169069 /nfs/dbraw/zinc/16/90/69/170169069.db2.gz BPBZOXCDZOKJFH-ZDUSSCGKSA-N 1 0 247.382 3.726 10 0 BHAERO Cc1ccc(C(C)(C)C)c2c1[C@H]([NH2+]C(C)C)CO2 ZINC000035653220 178448275 /nfs/dbraw/zinc/44/82/75/178448275.db2.gz ALVYAMVTORVNLE-CYBMUJFWSA-N 1 0 247.382 3.724 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1c(C)ccc2C(C)(C)C ZINC000035653224 169283054 /nfs/dbraw/zinc/28/30/54/169283054.db2.gz OUVQZYAYSAOZKW-CYBMUJFWSA-N 1 0 247.382 3.726 10 0 BHAERO CCC[NH2+][C@H]1COc2c1c(C)ccc2C(C)(C)C ZINC000035653226 169293034 /nfs/dbraw/zinc/29/30/34/169293034.db2.gz OUVQZYAYSAOZKW-ZDUSSCGKSA-N 1 0 247.382 3.726 10 0 BHAERO Cc1cc(C)c2c(c1C)OCCC[C@@H]2[NH2+]C(C)C ZINC000035653296 177884133 /nfs/dbraw/zinc/88/41/33/177884133.db2.gz PGDZXKGQUPVQCZ-AWEZNQCLSA-N 1 0 247.382 3.824 10 0 BHAERO CCC[NH2+][C@@H]1CCCOc2c(C)c(C)cc(C)c21 ZINC000035653299 169282007 /nfs/dbraw/zinc/28/20/07/169282007.db2.gz ZHOCXOTYTBQGRG-CQSZACIVSA-N 1 0 247.382 3.825 10 0 BHAERO CCC[NH2+][C@H]1CCCOc2c(C)c(C)cc(C)c21 ZINC000035653302 169291067 /nfs/dbraw/zinc/29/10/67/169291067.db2.gz ZHOCXOTYTBQGRG-AWEZNQCLSA-N 1 0 247.382 3.825 10 0 BHAERO Cc1ccc(C)c2c1OCCC[C@H]2[NH2+]C(C)C ZINC000035653417 178507904 /nfs/dbraw/zinc/50/79/04/178507904.db2.gz LOQVIKXYTWOSQD-CYBMUJFWSA-N 1 0 233.355 3.515 10 0 BHAERO CCC[NH2+][C@@H]1CCCOc2c(C)ccc(C)c21 ZINC000035653421 169282461 /nfs/dbraw/zinc/28/24/61/169282461.db2.gz KFLOGLBFBGQOPZ-CYBMUJFWSA-N 1 0 233.355 3.517 10 0 BHAERO CCC[NH2+][C@H]1CCCOc2c(C)ccc(C)c21 ZINC000035653423 169290828 /nfs/dbraw/zinc/29/08/28/169290828.db2.gz KFLOGLBFBGQOPZ-ZDUSSCGKSA-N 1 0 233.355 3.517 10 0 BHAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C(C)C)CCCO2 ZINC000035653481 178286345 /nfs/dbraw/zinc/28/63/45/178286345.db2.gz IOTMJNPVHYLMHM-AWEZNQCLSA-N 1 0 233.355 3.515 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+]C(C)C)CCCO2 ZINC000035653483 178287702 /nfs/dbraw/zinc/28/77/02/178287702.db2.gz IOTMJNPVHYLMHM-CQSZACIVSA-N 1 0 233.355 3.515 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C)CCCO2 ZINC000035653557 168305107 /nfs/dbraw/zinc/30/51/07/168305107.db2.gz JCHJZTPFGWASIA-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C)CCCO2 ZINC000035653559 168305671 /nfs/dbraw/zinc/30/56/71/168305671.db2.gz JCHJZTPFGWASIA-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CC[NH2+][C@@H]1CCOc2ccc(C(C)(C)CC)cc21 ZINC000035653571 170152841 /nfs/dbraw/zinc/15/28/41/170152841.db2.gz KOXPKHRSFUKLHJ-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CC[NH2+][C@H]1CCOc2ccc(C(C)(C)CC)cc21 ZINC000035653573 170169098 /nfs/dbraw/zinc/16/90/98/170169098.db2.gz KOXPKHRSFUKLHJ-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CO2 ZINC000035653579 168306262 /nfs/dbraw/zinc/30/62/62/168306262.db2.gz CRWNXHDMZQYUOK-CQSZACIVSA-N 1 0 245.366 3.560 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CO2 ZINC000035653581 168305452 /nfs/dbraw/zinc/30/54/52/168305452.db2.gz CRWNXHDMZQYUOK-AWEZNQCLSA-N 1 0 245.366 3.560 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C(C)C)CO2 ZINC000035653583 168306013 /nfs/dbraw/zinc/30/60/13/168306013.db2.gz WPMGNINGYUZIEL-CQSZACIVSA-N 1 0 247.382 3.806 10 0 BHAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C(C)C)CO2 ZINC000035653585 168305597 /nfs/dbraw/zinc/30/55/97/168305597.db2.gz WPMGNINGYUZIEL-AWEZNQCLSA-N 1 0 247.382 3.806 10 0 BHAERO CCC[NH2+][C@@H]1COc2ccc(C(C)(C)CC)cc21 ZINC000035653587 169282834 /nfs/dbraw/zinc/28/28/34/169282834.db2.gz UMCBTMIZLSXMPH-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CCC[NH2+][C@H]1COc2ccc(C(C)(C)CC)cc21 ZINC000035653589 169292825 /nfs/dbraw/zinc/29/28/25/169292825.db2.gz UMCBTMIZLSXMPH-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CCC[NH2+][C@@H]1CCCOc2c(C)c(C)ccc21 ZINC000035653662 169281731 /nfs/dbraw/zinc/28/17/31/169281731.db2.gz LAFLIOBCMBCTHF-CQSZACIVSA-N 1 0 233.355 3.517 10 0 BHAERO CCC[NH2+][C@H]1CCCOc2c(C)c(C)ccc21 ZINC000035653663 169291184 /nfs/dbraw/zinc/29/11/84/169291184.db2.gz LAFLIOBCMBCTHF-AWEZNQCLSA-N 1 0 233.355 3.517 10 0 BHAERO CC[NH2+][C@H]1COc2c1cc(CC)cc2C(C)(C)C ZINC000035654415 170168672 /nfs/dbraw/zinc/16/86/72/170168672.db2.gz RXRZAKBADOAORA-AWEZNQCLSA-N 1 0 247.382 3.590 10 0 BHAERO CC[NH2+][C@@H]1COc2c1cc(CC)cc2C(C)(C)C ZINC000035654417 170154036 /nfs/dbraw/zinc/15/40/36/170154036.db2.gz RXRZAKBADOAORA-CQSZACIVSA-N 1 0 247.382 3.590 10 0 BHAERO CC(C)[NH2+][C@@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654563 167134908 /nfs/dbraw/zinc/13/49/08/167134908.db2.gz HKTNVTGKBWCIEI-CQSZACIVSA-N 1 0 233.355 3.632 10 0 BHAERO CC(C)[NH2+][C@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654564 167140109 /nfs/dbraw/zinc/14/01/09/167140109.db2.gz HKTNVTGKBWCIEI-AWEZNQCLSA-N 1 0 233.355 3.632 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654566 169283024 /nfs/dbraw/zinc/28/30/24/169283024.db2.gz BLXAZSWITRQGQN-CQSZACIVSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654568 169292572 /nfs/dbraw/zinc/29/25/72/169292572.db2.gz BLXAZSWITRQGQN-AWEZNQCLSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@@H]1CCCOc2ccc(C(C)(C)C)cc21 ZINC000035654611 170150310 /nfs/dbraw/zinc/15/03/10/170150310.db2.gz UOPMIBHTEXJBHP-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CC[NH2+][C@H]1CCCOc2ccc(C(C)(C)C)cc21 ZINC000035654613 170166911 /nfs/dbraw/zinc/16/69/11/170166911.db2.gz UOPMIBHTEXJBHP-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CC(C)[NH2+][C@@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654623 167135549 /nfs/dbraw/zinc/13/55/49/167135549.db2.gz MGVZXWFHHLLOGY-CQSZACIVSA-N 1 0 247.382 3.806 10 0 BHAERO CC(C)[NH2+][C@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654625 167141075 /nfs/dbraw/zinc/14/10/75/167141075.db2.gz MGVZXWFHHLLOGY-AWEZNQCLSA-N 1 0 247.382 3.806 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654627 169282960 /nfs/dbraw/zinc/28/29/60/169282960.db2.gz AKNWPIUWXJBHQU-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CCC[NH2+][C@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654628 169292313 /nfs/dbraw/zinc/29/23/13/169292313.db2.gz AKNWPIUWXJBHQU-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CC(C)[NH2+][C@H]1CCOc2c(C(C)C)cccc21 ZINC000035654780 167139484 /nfs/dbraw/zinc/13/94/84/167139484.db2.gz GARYTYBQUMOZPT-AWEZNQCLSA-N 1 0 233.355 3.632 10 0 BHAERO CC(C)[NH2+][C@@H]1CCOc2c(C(C)C)cccc21 ZINC000035654782 167135149 /nfs/dbraw/zinc/13/51/49/167135149.db2.gz GARYTYBQUMOZPT-CQSZACIVSA-N 1 0 233.355 3.632 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2c(C(C)C)cccc21 ZINC000035654783 169283123 /nfs/dbraw/zinc/28/31/23/169283123.db2.gz FXSMANJNVRKVNC-CQSZACIVSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@H]1CCOc2c(C(C)C)cccc21 ZINC000035654785 169291750 /nfs/dbraw/zinc/29/17/50/169291750.db2.gz FXSMANJNVRKVNC-AWEZNQCLSA-N 1 0 233.355 3.633 10 0 BHAERO CC[C@@H](C)c1cccc2c1OCCC[C@@H]2[NH2+]C ZINC000035654845 170805797 /nfs/dbraw/zinc/80/57/97/170805797.db2.gz YVIFPMXQJRKKNV-RISCZKNCSA-N 1 0 233.355 3.633 10 0 BHAERO CC[C@H](C)c1cccc2c1OCCC[C@@H]2[NH2+]C ZINC000035654847 171412382 /nfs/dbraw/zinc/41/23/82/171412382.db2.gz YVIFPMXQJRKKNV-FZMZJTMJSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@H]1CCOc2c([C@H](C)CC)cccc21 ZINC000035654875 170168831 /nfs/dbraw/zinc/16/88/31/170168831.db2.gz DPCYEYSLPXANFR-RISCZKNCSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@H]1CCOc2c([C@@H](C)CC)cccc21 ZINC000035654877 170168742 /nfs/dbraw/zinc/16/87/42/170168742.db2.gz DPCYEYSLPXANFR-FZMZJTMJSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c([C@H](C)CC)cccc21 ZINC000035654879 170152885 /nfs/dbraw/zinc/15/28/85/170152885.db2.gz DPCYEYSLPXANFR-BXUZGUMPSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c([C@@H](C)CC)cccc21 ZINC000035654880 170153243 /nfs/dbraw/zinc/15/32/43/170153243.db2.gz DPCYEYSLPXANFR-SMDDNHRTSA-N 1 0 233.355 3.633 10 0 BHAERO CC[C@H](C)c1cccc2c1OC[C@@H]2[NH2+]C(C)C ZINC000035654898 171412267 /nfs/dbraw/zinc/41/22/67/171412267.db2.gz VAEHVRVIRXVNBG-FZMZJTMJSA-N 1 0 233.355 3.632 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1cccc2[C@@H](C)CC ZINC000035654903 169282848 /nfs/dbraw/zinc/28/28/48/169282848.db2.gz GWMHMHRMAKICTB-SMDDNHRTSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@H]1COc2c1cccc2[C@@H](C)CC ZINC000035654905 169292907 /nfs/dbraw/zinc/29/29/07/169292907.db2.gz GWMHMHRMAKICTB-FZMZJTMJSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1cccc2[C@H](C)CC ZINC000035654907 169282978 /nfs/dbraw/zinc/28/29/78/169282978.db2.gz GWMHMHRMAKICTB-BXUZGUMPSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@H]1COc2c1cccc2[C@H](C)CC ZINC000035654908 169292349 /nfs/dbraw/zinc/29/23/49/169292349.db2.gz GWMHMHRMAKICTB-RISCZKNCSA-N 1 0 233.355 3.633 10 0 BHAERO CC[NH2+][C@@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654941 170150850 /nfs/dbraw/zinc/15/08/50/170150850.db2.gz AVRBTXVCCBQUGA-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CC[NH2+][C@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654942 170166490 /nfs/dbraw/zinc/16/64/90/170166490.db2.gz AVRBTXVCCBQUGA-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CC(C)[NH2+][C@@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654952 167134234 /nfs/dbraw/zinc/13/42/34/167134234.db2.gz HMKNGRVTGMDPEC-CQSZACIVSA-N 1 0 247.382 3.806 10 0 BHAERO CC(C)[NH2+][C@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654954 167139837 /nfs/dbraw/zinc/13/98/37/167139837.db2.gz HMKNGRVTGMDPEC-AWEZNQCLSA-N 1 0 247.382 3.806 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654955 169282639 /nfs/dbraw/zinc/28/26/39/169282639.db2.gz JDGREADLSYLJJZ-CQSZACIVSA-N 1 0 247.382 3.807 10 0 BHAERO CCC[NH2+][C@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654957 169291428 /nfs/dbraw/zinc/29/14/28/169291428.db2.gz JDGREADLSYLJJZ-AWEZNQCLSA-N 1 0 247.382 3.807 10 0 BHAERO CC[NH2+][C@@H]1CCCOc2c(C(C)C)ccc(C)c21 ZINC000035657589 170150853 /nfs/dbraw/zinc/15/08/53/170150853.db2.gz IJVKPEMHUYECOB-CQSZACIVSA-N 1 0 247.382 3.942 10 0 BHAERO CC[NH2+][C@H]1CCCOc2c(C(C)C)ccc(C)c21 ZINC000035657590 170166885 /nfs/dbraw/zinc/16/68/85/170166885.db2.gz IJVKPEMHUYECOB-AWEZNQCLSA-N 1 0 247.382 3.942 10 0 BHAERO C[NH2+][C@H]1CCCOc2c(C(C)C)ccc(C)c21 ZINC000035657592 173462142 /nfs/dbraw/zinc/46/21/42/173462142.db2.gz UKZUABHAGKYPGS-ZDUSSCGKSA-N 1 0 233.355 3.552 10 0 BHAERO Cc1ccc(C(C)C)c2c1[C@@H]([NH2+]C(C)C)CCO2 ZINC000035657596 178454152 /nfs/dbraw/zinc/45/41/52/178454152.db2.gz XBXMZCGMCOZXST-AWEZNQCLSA-N 1 0 247.382 3.940 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2c(C(C)C)ccc(C)c21 ZINC000035657597 169283314 /nfs/dbraw/zinc/28/33/14/169283314.db2.gz MPJWWRJWWVSRSX-CQSZACIVSA-N 1 0 247.382 3.942 10 0 BHAERO CCC[NH2+][C@H]1CCOc2c(C(C)C)ccc(C)c21 ZINC000035657598 169292112 /nfs/dbraw/zinc/29/21/12/169292112.db2.gz MPJWWRJWWVSRSX-AWEZNQCLSA-N 1 0 247.382 3.942 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c(C(C)C)ccc(C)c21 ZINC000035657599 170153333 /nfs/dbraw/zinc/15/33/33/170153333.db2.gz ARVHLQFMBUMQSV-CYBMUJFWSA-N 1 0 233.355 3.552 10 0 BHAERO CC[NH2+][C@H]1CCOc2c(C(C)C)ccc(C)c21 ZINC000035657600 170168794 /nfs/dbraw/zinc/16/87/94/170168794.db2.gz ARVHLQFMBUMQSV-ZDUSSCGKSA-N 1 0 233.355 3.552 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1c(C)ccc2C(C)C ZINC000035657607 169283069 /nfs/dbraw/zinc/28/30/69/169283069.db2.gz VXVWLDNEKQWFDJ-CYBMUJFWSA-N 1 0 233.355 3.552 10 0 BHAERO CCC[NH2+][C@H]1COc2c1c(C)ccc2C(C)C ZINC000035657608 169293119 /nfs/dbraw/zinc/29/31/19/169293119.db2.gz VXVWLDNEKQWFDJ-ZDUSSCGKSA-N 1 0 233.355 3.552 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c(C)cc(C(C)(C)C)cc21 ZINC000035657631 170152966 /nfs/dbraw/zinc/15/29/66/170152966.db2.gz HNKQIJVFKIFXMP-CQSZACIVSA-N 1 0 247.382 3.726 10 0 BHAERO CC[NH2+][C@H]1CCOc2c(C)cc(C(C)(C)C)cc21 ZINC000035657632 170168903 /nfs/dbraw/zinc/16/89/03/170168903.db2.gz HNKQIJVFKIFXMP-AWEZNQCLSA-N 1 0 247.382 3.726 10 0 BHAERO Cc1cc(C(C)(C)C)cc2c1OC[C@@H]2[NH2+]C(C)C ZINC000035657637 187258387 /nfs/dbraw/zinc/25/83/87/187258387.db2.gz HYNSMMIOTWQSJZ-AWEZNQCLSA-N 1 0 247.382 3.724 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1cc(C(C)(C)C)cc2C ZINC000035657639 169282912 /nfs/dbraw/zinc/28/29/12/169282912.db2.gz SWMBLOOOVASZEO-CQSZACIVSA-N 1 0 247.382 3.726 10 0 BHAERO CCC[NH2+][C@H]1COc2c1cc(C(C)(C)C)cc2C ZINC000035657640 169292306 /nfs/dbraw/zinc/29/23/06/169292306.db2.gz SWMBLOOOVASZEO-AWEZNQCLSA-N 1 0 247.382 3.726 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)[C@@H]1C ZINC000035657946 176143614 /nfs/dbraw/zinc/14/36/14/176143614.db2.gz NMHMUQNRVARFDJ-XNJGSVPQSA-N 1 0 243.394 3.568 10 0 BHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000035657947 177137583 /nfs/dbraw/zinc/13/75/83/177137583.db2.gz NMHMUQNRVARFDJ-AHIWAGSCSA-N 1 0 243.394 3.568 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]1C ZINC000035657948 176123321 /nfs/dbraw/zinc/12/33/21/176123321.db2.gz NMHMUQNRVARFDJ-PBFPGSCMSA-N 1 0 243.394 3.568 10 0 BHAERO C[C@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CCC[C@@H]1C ZINC000035657949 177123282 /nfs/dbraw/zinc/12/32/82/177123282.db2.gz NMHMUQNRVARFDJ-OGHNNQOOSA-N 1 0 243.394 3.568 10 0 BHAERO CCCC[C@@H](CC)C[NH2+]C1Cc2ccccc2C1 ZINC000035657994 168959466 /nfs/dbraw/zinc/95/94/66/168959466.db2.gz DOSBLRMNWRSFHY-CQSZACIVSA-N 1 0 245.410 3.960 10 0 BHAERO CC(C)CCC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000035658039 166821764 /nfs/dbraw/zinc/82/17/64/166821764.db2.gz WETGDXSNEFXJJC-CQSZACIVSA-N 1 0 245.410 3.958 10 0 BHAERO CC(C)CC(CC(C)C)[NH2+]CCc1ccco1 ZINC000035661487 166778348 /nfs/dbraw/zinc/77/83/48/166778348.db2.gz CNRRFVDHTFAZKG-UHFFFAOYSA-N 1 0 237.387 3.873 10 0 BHAERO NC(=[NH2+])CCCSc1ccc2ccccc2c1 ZINC000035676504 181186782 /nfs/dbraw/zinc/18/67/82/181186782.db2.gz IJCCDKDSTYNHRC-UHFFFAOYSA-N 1 0 244.363 3.648 10 0 BHAERO Cc1cc(Nc2cccc(N)c2)c2ccccc2[nH+]1 ZINC000035697587 178194123 /nfs/dbraw/zinc/19/41/23/178194123.db2.gz YVSIQROBZGMGLU-UHFFFAOYSA-N 1 0 249.317 3.869 10 0 BHAERO Cc1cc(NCC(F)(F)F)c2ccccc2[nH+]1 ZINC000035697599 178156681 /nfs/dbraw/zinc/15/66/81/178156681.db2.gz CZKUGTNWVIOUNV-UHFFFAOYSA-N 1 0 240.228 3.517 10 0 BHAERO [NH3+]Cc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000035719989 343302430 /nfs/dbraw/zinc/30/24/30/343302430.db2.gz CWGFDPQAOPCNHC-UHFFFAOYSA-N 1 0 249.766 3.950 10 0 BHAERO Cc1ccc(Sc2ccc(C[NH3+])cc2)c(C)c1 ZINC000035720103 178830130 /nfs/dbraw/zinc/83/01/30/178830130.db2.gz KRBZXQZASPZMRF-UHFFFAOYSA-N 1 0 243.375 3.913 10 0 BHAERO CCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722337 170649569 /nfs/dbraw/zinc/64/95/69/170649569.db2.gz MSOHJCMRDOLMHW-RRFJBIMHSA-N 1 0 249.423 3.651 10 0 BHAERO CCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722338 170653187 /nfs/dbraw/zinc/65/31/87/170653187.db2.gz MSOHJCMRDOLMHW-ZNMIVQPWSA-N 1 0 249.423 3.651 10 0 BHAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2)C1 ZINC000035722592 171056344 /nfs/dbraw/zinc/05/63/44/171056344.db2.gz ISVVEBDIYNOVGV-UMVBOHGHSA-N 1 0 249.423 3.932 10 0 BHAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2)C1 ZINC000035722594 171040122 /nfs/dbraw/zinc/04/01/22/171040122.db2.gz ISVVEBDIYNOVGV-VNHYZAJKSA-N 1 0 249.423 3.932 10 0 BHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](SCc2ccccc2)C1 ZINC000035722821 176224274 /nfs/dbraw/zinc/22/42/74/176224274.db2.gz GDKUBJROEYAAPS-BPLDGKMQSA-N 1 0 249.423 3.683 10 0 BHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](SCc2ccccc2)C1 ZINC000035722826 176202602 /nfs/dbraw/zinc/20/26/02/176202602.db2.gz GDKUBJROEYAAPS-VHDGCEQUSA-N 1 0 249.423 3.683 10 0 BHAERO [NH3+]C[C@H]1CCCCC[C@H]1SCc1ccccc1 ZINC000035722829 181457217 /nfs/dbraw/zinc/45/72/17/181457217.db2.gz WVWWJTJWQNGBKZ-HUUCEWRRSA-N 1 0 249.423 3.827 10 0 BHAERO [NH3+]C[C@H]1CCCCC[C@@H]1SCc1ccccc1 ZINC000035722831 181457250 /nfs/dbraw/zinc/45/72/50/181457250.db2.gz WVWWJTJWQNGBKZ-CABCVRRESA-N 1 0 249.423 3.827 10 0 BHAERO [NH3+]C[C@@H]1CCCCC[C@H]1SCc1ccccc1 ZINC000035722833 181427098 /nfs/dbraw/zinc/42/70/98/181427098.db2.gz WVWWJTJWQNGBKZ-LSDHHAIUSA-N 1 0 249.423 3.827 10 0 BHAERO Cc1ccc(S[C@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000035723006 178829384 /nfs/dbraw/zinc/82/93/84/178829384.db2.gz HTQWPIUBMLHMIT-ZFWWWQNUSA-N 1 0 249.423 3.995 10 0 BHAERO Cc1ccc(S[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000035723524 178829334 /nfs/dbraw/zinc/82/93/34/178829334.db2.gz UHSZMJPGWCFMPY-UKRRQHHQSA-N 1 0 249.423 3.913 10 0 BHAERO Cc1ccc(S[C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000035723529 178828967 /nfs/dbraw/zinc/82/89/67/178828967.db2.gz UHSZMJPGWCFMPY-ZFWWWQNUSA-N 1 0 249.423 3.913 10 0 BHAERO Cc1ccc(S[C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000035724338 178829449 /nfs/dbraw/zinc/82/94/49/178829449.db2.gz KZYKRMHRGPFFRR-ZFWWWQNUSA-N 1 0 249.423 3.913 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2c(c1)CCC2 ZINC000035732885 176886928 /nfs/dbraw/zinc/88/69/28/176886928.db2.gz IHCAXAYAKVGTFT-RYUDHWBXSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2c(c1)CCC2 ZINC000035732886 359660141 /nfs/dbraw/zinc/66/01/41/359660141.db2.gz IHCAXAYAKVGTFT-NWDGAFQWSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)C1CC1 ZINC000035732887 176907914 /nfs/dbraw/zinc/90/79/14/176907914.db2.gz IHCAXAYAKVGTFT-NEPJUHHUSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2c(c1)CCC2 ZINC000035732888 175919664 /nfs/dbraw/zinc/91/96/64/175919664.db2.gz IHCAXAYAKVGTFT-VXGBXAGGSA-N 1 0 229.367 3.624 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733013 387580876 /nfs/dbraw/zinc/58/08/76/387580876.db2.gz LMIRKMBWPIULDG-NEPJUHHUSA-N 1 0 217.356 3.698 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733014 387581133 /nfs/dbraw/zinc/58/11/33/387581133.db2.gz LMIRKMBWPIULDG-RYUDHWBXSA-N 1 0 217.356 3.698 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733015 387581025 /nfs/dbraw/zinc/58/10/25/387581025.db2.gz LMIRKMBWPIULDG-VXGBXAGGSA-N 1 0 217.356 3.698 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733016 323669042 /nfs/dbraw/zinc/66/90/42/323669042.db2.gz LMIRKMBWPIULDG-NWDGAFQWSA-N 1 0 217.356 3.698 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000035733025 323669078 /nfs/dbraw/zinc/66/90/78/323669078.db2.gz LUGOGLFTJOQFPD-QWHCGFSZSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000035733026 387580831 /nfs/dbraw/zinc/58/08/31/387580831.db2.gz LUGOGLFTJOQFPD-STQMWFEESA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000035733027 387581532 /nfs/dbraw/zinc/58/15/32/387581532.db2.gz LUGOGLFTJOQFPD-CHWSQXEVSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000035733028 387581021 /nfs/dbraw/zinc/58/10/21/387581021.db2.gz LUGOGLFTJOQFPD-OLZOCXBDSA-N 1 0 217.356 3.753 10 0 BHAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733107 169321097 /nfs/dbraw/zinc/32/10/97/169321097.db2.gz YSUVVZWPKSDXOC-QWHCGFSZSA-N 1 0 247.382 3.925 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733108 169321862 /nfs/dbraw/zinc/32/18/62/169321862.db2.gz YSUVVZWPKSDXOC-STQMWFEESA-N 1 0 247.382 3.925 10 0 BHAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733109 169321204 /nfs/dbraw/zinc/32/12/04/169321204.db2.gz YSUVVZWPKSDXOC-CHWSQXEVSA-N 1 0 247.382 3.925 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733110 169322386 /nfs/dbraw/zinc/32/23/86/169322386.db2.gz YSUVVZWPKSDXOC-OLZOCXBDSA-N 1 0 247.382 3.925 10 0 BHAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035733145 387581495 /nfs/dbraw/zinc/58/14/95/387581495.db2.gz UYPFIBFSPPZBFC-QWHCGFSZSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035733146 387581315 /nfs/dbraw/zinc/58/13/15/387581315.db2.gz UYPFIBFSPPZBFC-STQMWFEESA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035733147 323668500 /nfs/dbraw/zinc/66/85/00/323668500.db2.gz UYPFIBFSPPZBFC-CHWSQXEVSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035733148 323670014 /nfs/dbraw/zinc/67/00/14/323670014.db2.gz UYPFIBFSPPZBFC-OLZOCXBDSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000035733161 323669819 /nfs/dbraw/zinc/66/98/19/323669819.db2.gz YIRUKXQXKIACFG-QWHCGFSZSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000035733162 387580417 /nfs/dbraw/zinc/58/04/17/387580417.db2.gz YIRUKXQXKIACFG-STQMWFEESA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000035733163 323670200 /nfs/dbraw/zinc/67/02/00/323670200.db2.gz YIRUKXQXKIACFG-CHWSQXEVSA-N 1 0 217.356 3.753 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000035733164 387581565 /nfs/dbraw/zinc/58/15/65/387581565.db2.gz YIRUKXQXKIACFG-OLZOCXBDSA-N 1 0 217.356 3.753 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)C1CC1 ZINC000035733376 387553693 /nfs/dbraw/zinc/55/36/93/387553693.db2.gz KUBZGAHNZGCUNH-BLLLJJGKSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)C1CC1 ZINC000035733377 358458596 /nfs/dbraw/zinc/45/85/96/358458596.db2.gz KUBZGAHNZGCUNH-MLGOLLRUSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)C1CC1 ZINC000035733378 358458673 /nfs/dbraw/zinc/45/86/73/358458673.db2.gz KUBZGAHNZGCUNH-LRDDRELGSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)C1CC1 ZINC000035733379 175924471 /nfs/dbraw/zinc/92/44/71/175924471.db2.gz KUBZGAHNZGCUNH-WBMJQRKESA-N 1 0 229.367 3.842 10 0 BHAERO Cc1ccc(C)c2c1SCCC[C@@H]2[NH2+]C1CC1 ZINC000035759863 178507051 /nfs/dbraw/zinc/50/70/51/178507051.db2.gz NISLIBBGBKKFIZ-ZDUSSCGKSA-N 1 0 247.407 3.982 10 0 BHAERO Cc1ccc(C)c2c1S[C@@H](C)C[C@@H]2[NH2+]C1CC1 ZINC000035759919 178507512 /nfs/dbraw/zinc/50/75/12/178507512.db2.gz CMFNEHXZFFKMEI-AAEUAGOBSA-N 1 0 247.407 3.981 10 0 BHAERO Cc1ccc(C)c2c1S[C@H](C)C[C@@H]2[NH2+]C1CC1 ZINC000035759925 178507944 /nfs/dbraw/zinc/50/79/44/178507944.db2.gz CMFNEHXZFFKMEI-YPMHNXCESA-N 1 0 247.407 3.981 10 0 BHAERO CC(C)[NH2+][C@@H]1CCSc2cc3c(cc21)CCC3 ZINC000035761032 167135544 /nfs/dbraw/zinc/13/55/44/167135544.db2.gz CCUZPISKEOABAV-CQSZACIVSA-N 1 0 247.407 3.710 10 0 BHAERO CC(C)[NH2+][C@H]1CCSc2cc3c(cc21)CCC3 ZINC000035761033 167140041 /nfs/dbraw/zinc/14/00/41/167140041.db2.gz CCUZPISKEOABAV-AWEZNQCLSA-N 1 0 247.407 3.710 10 0 BHAERO CC[NH2+][C@@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035761044 170150364 /nfs/dbraw/zinc/15/03/64/170150364.db2.gz CSDGJRSYUOSYHU-CQSZACIVSA-N 1 0 247.407 3.712 10 0 BHAERO CC[NH2+][C@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035761046 170166993 /nfs/dbraw/zinc/16/69/93/170166993.db2.gz CSDGJRSYUOSYHU-AWEZNQCLSA-N 1 0 247.407 3.712 10 0 BHAERO CCC[NH2+][C@@H]1CCSc2cc3c(cc21)CCC3 ZINC000035761063 169283417 /nfs/dbraw/zinc/28/34/17/169283417.db2.gz BCQXNPBQQUSLGC-CQSZACIVSA-N 1 0 247.407 3.712 10 0 BHAERO CCC[NH2+][C@H]1CCSc2cc3c(cc21)CCC3 ZINC000035761067 169292298 /nfs/dbraw/zinc/29/22/98/169292298.db2.gz BCQXNPBQQUSLGC-AWEZNQCLSA-N 1 0 247.407 3.712 10 0 BHAERO CC[NH2+][C@@H]1c2cc3c(cc2SC[C@@H]1C)CCC3 ZINC000035761092 170154693 /nfs/dbraw/zinc/15/46/93/170154693.db2.gz NJIMPELRMVSDLB-BONVTDFDSA-N 1 0 247.407 3.568 10 0 BHAERO CC[NH2+][C@H]1c2cc3c(cc2SC[C@@H]1C)CCC3 ZINC000035761095 170169482 /nfs/dbraw/zinc/16/94/82/170169482.db2.gz NJIMPELRMVSDLB-ZUZCIYMTSA-N 1 0 247.407 3.568 10 0 BHAERO CC[NH2+][C@@H]1c2cc3c(cc2SC[C@H]1C)CCC3 ZINC000035761098 170155378 /nfs/dbraw/zinc/15/53/78/170155378.db2.gz NJIMPELRMVSDLB-BMIGLBTASA-N 1 0 247.407 3.568 10 0 BHAERO CC[NH2+][C@H]1c2cc3c(cc2SC[C@H]1C)CCC3 ZINC000035761100 170169461 /nfs/dbraw/zinc/16/94/61/170169461.db2.gz NJIMPELRMVSDLB-MEBBXXQBSA-N 1 0 247.407 3.568 10 0 BHAERO CC[NH2+][C@@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761135 170153899 /nfs/dbraw/zinc/15/38/99/170153899.db2.gz GHRMUZQBYNFGRW-IINYFYTJSA-N 1 0 247.407 3.710 10 0 BHAERO CC[NH2+][C@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761138 170170023 /nfs/dbraw/zinc/17/00/23/170170023.db2.gz GHRMUZQBYNFGRW-HZMBPMFUSA-N 1 0 247.407 3.710 10 0 BHAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761140 170154248 /nfs/dbraw/zinc/15/42/48/170154248.db2.gz GHRMUZQBYNFGRW-QMTHXVAHSA-N 1 0 247.407 3.710 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761142 170169576 /nfs/dbraw/zinc/16/95/76/170169576.db2.gz GHRMUZQBYNFGRW-YGRLFVJLSA-N 1 0 247.407 3.710 10 0 BHAERO C[NH2+][C@@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761163 342759462 /nfs/dbraw/zinc/75/94/62/342759462.db2.gz AABSNPGKXUTKMU-MRVPVSSYSA-N 1 0 248.178 3.750 10 0 BHAERO C[NH2+][C@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761165 342759480 /nfs/dbraw/zinc/75/94/80/342759480.db2.gz AABSNPGKXUTKMU-QMMMGPOBSA-N 1 0 248.178 3.750 10 0 BHAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC1)CCCS2 ZINC000035762483 178286623 /nfs/dbraw/zinc/28/66/23/178286623.db2.gz SPOKRRPTZFFVDF-AWEZNQCLSA-N 1 0 247.407 3.982 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+]C1CC1)CCCS2 ZINC000035762484 178287859 /nfs/dbraw/zinc/28/78/59/178287859.db2.gz SPOKRRPTZFFVDF-CQSZACIVSA-N 1 0 247.407 3.982 10 0 BHAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC1)C[C@@H](C)S2 ZINC000035762503 178286367 /nfs/dbraw/zinc/28/63/67/178286367.db2.gz GLWIHRDCRPUVRD-RISCZKNCSA-N 1 0 247.407 3.981 10 0 BHAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC1)C[C@H](C)S2 ZINC000035762504 178286203 /nfs/dbraw/zinc/28/62/03/178286203.db2.gz GLWIHRDCRPUVRD-FZMZJTMJSA-N 1 0 247.407 3.981 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+]C1CC1)C[C@@H](C)S2 ZINC000035762505 178287895 /nfs/dbraw/zinc/28/78/95/178287895.db2.gz GLWIHRDCRPUVRD-BXUZGUMPSA-N 1 0 247.407 3.981 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+]C1CC1)C[C@H](C)S2 ZINC000035762506 178287479 /nfs/dbraw/zinc/28/74/79/178287479.db2.gz GLWIHRDCRPUVRD-SMDDNHRTSA-N 1 0 247.407 3.981 10 0 BHAERO CCN(c1ccccc1[C@@H](C)[NH2+]C)C1CCCC1 ZINC000035766418 169944058 /nfs/dbraw/zinc/94/40/58/169944058.db2.gz ZNXHWYTVHPJJHH-CYBMUJFWSA-N 1 0 246.398 3.736 10 0 BHAERO CCN(c1ccccc1[C@H](C)[NH2+]C)C1CCCC1 ZINC000035766420 169943998 /nfs/dbraw/zinc/94/39/98/169943998.db2.gz ZNXHWYTVHPJJHH-ZDUSSCGKSA-N 1 0 246.398 3.736 10 0 BHAERO CC[NH2+]Cc1ccccc1N(CC)C1CCCC1 ZINC000035773074 170128169 /nfs/dbraw/zinc/12/81/69/170128169.db2.gz OOUUTAVIAJAZGV-UHFFFAOYSA-N 1 0 246.398 3.565 10 0 BHAERO CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789728 387581278 /nfs/dbraw/zinc/58/12/78/387581278.db2.gz NVDBSPIQCUWQCD-LURJTMIESA-N 1 0 236.117 3.803 10 0 BHAERO CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789731 387580820 /nfs/dbraw/zinc/58/08/20/387580820.db2.gz NVDBSPIQCUWQCD-ZCFIWIBFSA-N 1 0 236.117 3.803 10 0 BHAERO [NH3+][C@@H]1CCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000035855434 342762053 /nfs/dbraw/zinc/76/20/53/342762053.db2.gz ZXSJWBZJBQYLQV-LDYMZIIASA-N 1 0 230.138 3.588 10 0 BHAERO CCC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000036154476 169261294 /nfs/dbraw/zinc/26/12/94/169261294.db2.gz RMJIVVCMXFPRIM-UHFFFAOYSA-N 1 0 232.154 3.536 10 0 BHAERO CCC[NH2+]CCc1c(Cl)cccc1Cl ZINC000036154479 169261466 /nfs/dbraw/zinc/26/14/66/169261466.db2.gz BRDJKJWBCQSRLA-UHFFFAOYSA-N 1 0 232.154 3.536 10 0 BHAERO CC(C)[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000036154500 167108999 /nfs/dbraw/zinc/10/89/99/167108999.db2.gz FPUCDGRQQPZINM-UHFFFAOYSA-N 1 0 232.154 3.534 10 0 BHAERO CC(C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000036154503 167109699 /nfs/dbraw/zinc/10/96/99/167109699.db2.gz CQWNALIWYBYXLC-UHFFFAOYSA-N 1 0 232.154 3.534 10 0 BHAERO CC(C)C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000036154526 167005327 /nfs/dbraw/zinc/00/53/27/167005327.db2.gz CYHLLJZTEPIIHU-UHFFFAOYSA-N 1 0 246.181 3.782 10 0 BHAERO CCCCc1ccc(CCCCC[NH3+])cc1 ZINC000036160071 169020162 /nfs/dbraw/zinc/02/01/62/169020162.db2.gz TVJNPSVAFBTOHT-UHFFFAOYSA-N 1 0 219.372 3.701 10 0 BHAERO CCCCc1ccc(CCCC[NH2+]C)cc1 ZINC000036160074 169021098 /nfs/dbraw/zinc/02/10/98/169021098.db2.gz UPRIJWFOTXSRMH-UHFFFAOYSA-N 1 0 219.372 3.571 10 0 BHAERO CC[C@@H](C)c1ccc(CCCCC[NH3+])cc1 ZINC000036160089 170804368 /nfs/dbraw/zinc/80/43/68/170804368.db2.gz MPYGQSDNPCHFOJ-CYBMUJFWSA-N 1 0 219.372 3.872 10 0 BHAERO CC[C@@H](C)c1ccc(CCCC[NH2+]C)cc1 ZINC000036160098 170804519 /nfs/dbraw/zinc/80/45/19/170804519.db2.gz PTRWMRADRNFDNM-CYBMUJFWSA-N 1 0 219.372 3.742 10 0 BHAERO CCC[C@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036160827 360684169 /nfs/dbraw/zinc/68/41/69/360684169.db2.gz STQSIMOSQLBHHI-ZDUSSCGKSA-N 1 0 221.344 3.619 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036160831 360684331 /nfs/dbraw/zinc/68/43/31/360684331.db2.gz STQSIMOSQLBHHI-CYBMUJFWSA-N 1 0 221.344 3.619 10 0 BHAERO CCCC[C@H]([NH3+])c1cc(C)c(OC)cc1C ZINC000036160872 169009289 /nfs/dbraw/zinc/00/92/89/169009289.db2.gz UOOQCBQDCGKLEJ-ZDUSSCGKSA-N 1 0 221.344 3.502 10 0 BHAERO CCCC[C@@H]([NH3+])c1cc(C)c(OC)cc1C ZINC000036160874 168970111 /nfs/dbraw/zinc/97/01/11/168970111.db2.gz UOOQCBQDCGKLEJ-CYBMUJFWSA-N 1 0 221.344 3.502 10 0 BHAERO CCCC[C@H]([NH3+])c1cc(Cl)ccc1OC ZINC000036161955 360687322 /nfs/dbraw/zinc/68/73/22/360687322.db2.gz UJECBPKNALOPLL-NSHDSACASA-N 1 0 227.735 3.539 10 0 BHAERO CCCC[C@@H]([NH3+])c1cc(Cl)ccc1OC ZINC000036161958 360687447 /nfs/dbraw/zinc/68/74/47/360687447.db2.gz UJECBPKNALOPLL-LLVKDONJSA-N 1 0 227.735 3.539 10 0 BHAERO C[NH2+]CCCCc1cc(C(C)(C)C)ccc1C ZINC000036163072 173346232 /nfs/dbraw/zinc/34/62/32/173346232.db2.gz ZWXAPHNONKXLSX-UHFFFAOYSA-N 1 0 233.399 3.835 10 0 BHAERO CCC(CC)[C@@H]([NH3+])c1cc(C)c(OC)cc1C ZINC000036163616 168401451 /nfs/dbraw/zinc/40/14/51/168401451.db2.gz INYGLTPNQZFVQN-OAHLLOKOSA-N 1 0 235.371 3.748 10 0 BHAERO CCCC[C@H]([NH3+])c1cc(C)c(OCC)cc1C ZINC000036163632 169009198 /nfs/dbraw/zinc/00/91/98/169009198.db2.gz NJFZLZOWOBGEFB-AWEZNQCLSA-N 1 0 235.371 3.892 10 0 BHAERO CC[C@@H]1CCCN(c2ccccc2[C@@H](C)[NH2+]C)C1 ZINC000036169857 132340321 /nfs/dbraw/zinc/34/03/21/132340321.db2.gz DGYNQZMVVTXPBI-ZIAGYGMSSA-N 1 0 246.398 3.593 10 0 BHAERO CC[C@H]1CCCN(c2ccccc2[C@@H](C)[NH2+]C)C1 ZINC000036169858 132340190 /nfs/dbraw/zinc/34/01/90/132340190.db2.gz DGYNQZMVVTXPBI-KGLIPLIRSA-N 1 0 246.398 3.593 10 0 BHAERO COc1cc(C)c([C@@H]([NH3+])C2CCCCC2)cc1C ZINC000036171778 174961211 /nfs/dbraw/zinc/96/12/11/174961211.db2.gz SNKWZXJFMDNZTC-INIZCTEOSA-N 1 0 247.382 3.892 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(Br)s1 ZINC000036171794 188112534 /nfs/dbraw/zinc/11/25/34/188112534.db2.gz VRFNNUIFHUBPDY-ZETCQYMHSA-N 1 0 248.189 3.557 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(Br)s1 ZINC000036171797 169009204 /nfs/dbraw/zinc/00/92/04/169009204.db2.gz AMCKTDYQTWSJJM-ZETCQYMHSA-N 1 0 248.189 3.701 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000036171799 360703828 /nfs/dbraw/zinc/70/38/28/360703828.db2.gz AMCKTDYQTWSJJM-SSDOTTSWSA-N 1 0 248.189 3.701 10 0 BHAERO Cc1ccc2c(c1C)C[NH2+]C[C@H]2c1ccccc1 ZINC000036184652 178962321 /nfs/dbraw/zinc/96/23/21/178962321.db2.gz SKICAFCTFOTCMD-KRWDZBQOSA-N 1 0 237.346 3.539 10 0 BHAERO CCC(CC)C[N@H+](CC)Cc1ccccc1N ZINC000036196543 168350813 /nfs/dbraw/zinc/35/08/13/168350813.db2.gz QAECCWVYTJLDIK-UHFFFAOYSA-N 1 0 234.387 3.527 10 0 BHAERO CCC(CC)C[N@H+](CC)Cc1cccc(N)c1C ZINC000036196829 168349780 /nfs/dbraw/zinc/34/97/80/168349780.db2.gz IJRGCDXVHRMTAU-UHFFFAOYSA-N 1 0 248.414 3.835 10 0 BHAERO CC(C)c1ccc([C@H]([NH3+])Cc2nccs2)cc1 ZINC000036278971 167618779 /nfs/dbraw/zinc/61/87/79/167618779.db2.gz LGFZGXIKBQSDRK-CYBMUJFWSA-N 1 0 246.379 3.509 10 0 BHAERO C[NH2+][C@]12CC=CC[C@@H]1C[C@H](C)c1ccccc12 ZINC000036294125 342916125 /nfs/dbraw/zinc/91/61/25/342916125.db2.gz DYWTYZQHULDNCR-WOSRLPQWSA-N 1 0 227.351 3.575 10 0 BHAERO C[NH2+][C@]12CCCC[C@@H]1C[C@H](C)c1ccccc12 ZINC000036294143 342916082 /nfs/dbraw/zinc/91/60/82/342916082.db2.gz LATMEMFFKNJSDV-WOSRLPQWSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1C[C@H]2CCCC[C@]2([NH3+])c2ccccc21 ZINC000036294147 342915931 /nfs/dbraw/zinc/91/59/31/342915931.db2.gz JRUKCOBJHNDAFH-LALPHHSUSA-N 1 0 215.340 3.538 10 0 BHAERO C[C@H]([NH3+])c1ccccc1N(C)C1CCCCCC1 ZINC000036328665 188112164 /nfs/dbraw/zinc/11/21/64/188112164.db2.gz HJIZMTJRINTIFK-ZDUSSCGKSA-N 1 0 246.398 3.865 10 0 BHAERO CCCCSc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000036333283 343316106 /nfs/dbraw/zinc/31/61/06/343316106.db2.gz MQVNKNWRRMNCDY-SNVBAGLBSA-N 1 0 241.375 3.998 10 0 BHAERO CCCCSc1ccc([C@H](C)[NH2+]C)cc1F ZINC000036333284 343316041 /nfs/dbraw/zinc/31/60/41/343316041.db2.gz MQVNKNWRRMNCDY-JTQLQIEISA-N 1 0 241.375 3.998 10 0 BHAERO C[C@H]1C[C@H](C)CC(C)([NH+]2CCCCC2)C1 ZINC000036459841 177354981 /nfs/dbraw/zinc/35/49/81/177354981.db2.gz LZTQQQCDUZLMTH-STQMWFEESA-N 1 0 209.377 3.687 10 0 BHAERO C[C@@H]1C[C@@H](C)CC(C)([NH+]2CCCCC2)C1 ZINC000036459842 176360299 /nfs/dbraw/zinc/36/02/99/176360299.db2.gz LZTQQQCDUZLMTH-CHWSQXEVSA-N 1 0 209.377 3.687 10 0 BHAERO CC(C)c1ccccc1O[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000036664780 167644842 /nfs/dbraw/zinc/64/48/42/167644842.db2.gz LPQUZQIWQHGUDU-DUVNUKRYSA-N 1 0 247.382 3.705 10 0 BHAERO CC[C@H]([NH3+])CCc1ccc(Cl)c(Cl)c1 ZINC000036683961 343143404 /nfs/dbraw/zinc/14/34/04/343143404.db2.gz OCZPFAZWRWATTI-VIFPVBQESA-N 1 0 232.154 3.663 10 0 BHAERO CC[C@@H]([NH3+])CCc1ccc(Cl)c(Cl)c1 ZINC000036683962 343143446 /nfs/dbraw/zinc/14/34/46/343143446.db2.gz OCZPFAZWRWATTI-SECBINFHSA-N 1 0 232.154 3.663 10 0 BHAERO CC(C)[C@@H]([NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000036684029 167420289 /nfs/dbraw/zinc/42/02/89/167420289.db2.gz KNDHURAYFQHULZ-HNNXBMFYSA-N 1 0 233.399 3.900 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cc(C)cc(C)c2)C1 ZINC000036697087 171057034 /nfs/dbraw/zinc/05/70/34/171057034.db2.gz SKDGWSYOAQIICL-VNQPRFMTSA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2cc(C)cc(C)c2)C1 ZINC000036697091 171039900 /nfs/dbraw/zinc/03/99/00/171039900.db2.gz SKDGWSYOAQIICL-FVQBIDKESA-N 1 0 247.382 3.588 10 0 BHAERO CC(C)(C)c1ccc2oc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000036749699 187258611 /nfs/dbraw/zinc/25/86/11/187258611.db2.gz OYPJGIISSQGKBF-NSHDSACASA-N 1 0 244.338 3.550 10 0 BHAERO CC(C)(C)c1ccc2oc([C@H]3CCC[NH2+]3)nc2c1 ZINC000036749700 187259224 /nfs/dbraw/zinc/25/92/24/187259224.db2.gz OYPJGIISSQGKBF-LLVKDONJSA-N 1 0 244.338 3.550 10 0 BHAERO CCC[NH2+]Cc1cc(C)c(OCC2CC2)c(C)c1 ZINC000036765186 169265831 /nfs/dbraw/zinc/26/58/31/169265831.db2.gz QKPLNJTZMXELMS-UHFFFAOYSA-N 1 0 247.382 3.592 10 0 BHAERO Cc1cc(C[NH2+]C(C)C)cc(C)c1OCC1CC1 ZINC000036765187 178016733 /nfs/dbraw/zinc/01/67/33/178016733.db2.gz KBBHHQVUIXJMQX-UHFFFAOYSA-N 1 0 247.382 3.590 10 0 BHAERO CC[NH2+][C@H](CC)c1ccccc1OCC1CC1 ZINC000036765232 170161302 /nfs/dbraw/zinc/16/13/02/170161302.db2.gz YEUWVOWKMYQPRZ-CQSZACIVSA-N 1 0 233.355 3.536 10 0 BHAERO CC[NH2+][C@H](CC)c1ccc(OCC2CC2)cc1 ZINC000036765256 170161892 /nfs/dbraw/zinc/16/18/92/170161892.db2.gz KFIJCZLDMHTOSA-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CCC(CC)[C@H]([NH2+]C)c1ccc(OC)cc1F ZINC000036766614 168407293 /nfs/dbraw/zinc/40/72/93/168407293.db2.gz OCGDYYFRFPWBEU-AWEZNQCLSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1F ZINC000036766843 169372342 /nfs/dbraw/zinc/37/23/42/169372342.db2.gz SBVHDVVSCXKHAD-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1F)[C@H](C)CC ZINC000036766951 170164127 /nfs/dbraw/zinc/16/41/27/170164127.db2.gz APBBASPMBLHTRY-YGRLFVJLSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1F)[C@@H](C)CC ZINC000036766952 170163916 /nfs/dbraw/zinc/16/39/16/170163916.db2.gz APBBASPMBLHTRY-HZMBPMFUSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1F)[C@H](C)CC ZINC000036766953 170148724 /nfs/dbraw/zinc/14/87/24/170148724.db2.gz APBBASPMBLHTRY-QMTHXVAHSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1F)[C@@H](C)CC ZINC000036766954 170148687 /nfs/dbraw/zinc/14/86/87/170148687.db2.gz APBBASPMBLHTRY-IINYFYTJSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1F ZINC000036766977 170144235 /nfs/dbraw/zinc/14/42/35/170144235.db2.gz UESSLELOGZCRJV-AWEZNQCLSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)cc1F ZINC000036766978 170161108 /nfs/dbraw/zinc/16/11/08/170161108.db2.gz UESSLELOGZCRJV-CQSZACIVSA-N 1 0 239.334 3.531 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccc(OC)cc1F ZINC000036767133 169278371 /nfs/dbraw/zinc/27/83/71/169278371.db2.gz LARCUSSBPBABPX-AWEZNQCLSA-N 1 0 239.334 3.675 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccc(OC)cc1F ZINC000036767134 169289521 /nfs/dbraw/zinc/28/95/21/169289521.db2.gz LARCUSSBPBABPX-CQSZACIVSA-N 1 0 239.334 3.675 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036778625 166891842 /nfs/dbraw/zinc/89/18/42/166891842.db2.gz PTDQSBWWOSVLSD-CYBMUJFWSA-N 1 0 237.362 3.783 10 0 BHAERO CC[C@H]([NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000036778941 171486504 /nfs/dbraw/zinc/48/65/04/171486504.db2.gz RQYBMQZNWIPDMA-AWEZNQCLSA-N 1 0 241.334 3.759 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1N(C)[C@@H](C)C1CC1 ZINC000036785586 170141839 /nfs/dbraw/zinc/14/18/39/170141839.db2.gz QQDOGGGPAGMGBQ-STQMWFEESA-N 1 0 246.398 3.592 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)[C@@H](C)C1CC1 ZINC000036785587 170160085 /nfs/dbraw/zinc/16/00/85/170160085.db2.gz QQDOGGGPAGMGBQ-OLZOCXBDSA-N 1 0 246.398 3.592 10 0 BHAERO CCCCCC[C@@](C)(CN)[N@H+](C)[C@@H](C)C(C)C ZINC000036786925 168677738 /nfs/dbraw/zinc/67/77/38/168677738.db2.gz ZTRJRMOXSVNTSE-GJZGRUSLSA-N 1 0 242.451 3.651 10 0 BHAERO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)[C@@H](C)C(C)C ZINC000036786996 171298994 /nfs/dbraw/zinc/29/89/94/171298994.db2.gz OJQZOOZIPCWESQ-SOUVJXGZSA-N 1 0 242.451 3.506 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1N(C)[C@@H](C)C(C)C ZINC000036787535 170142287 /nfs/dbraw/zinc/14/22/87/170142287.db2.gz CWPVULWMXKCSJE-KBPBESRZSA-N 1 0 248.414 3.838 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)[C@@H](C)C(C)C ZINC000036787536 170160274 /nfs/dbraw/zinc/16/02/74/170160274.db2.gz CWPVULWMXKCSJE-KGLIPLIRSA-N 1 0 248.414 3.838 10 0 BHAERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036787581 167367642 /nfs/dbraw/zinc/36/76/42/167367642.db2.gz TUGIZNUGIHWMDP-CYBMUJFWSA-N 1 0 246.398 3.521 10 0 BHAERO CCC[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)C ZINC000036787859 169267799 /nfs/dbraw/zinc/26/77/99/169267799.db2.gz ZVFLBIWYWVDZSS-AWEZNQCLSA-N 1 0 248.414 3.667 10 0 BHAERO CCC[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)C ZINC000036787861 169267526 /nfs/dbraw/zinc/26/75/26/169267526.db2.gz ZVFLBIWYWVDZSS-CQSZACIVSA-N 1 0 248.414 3.667 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)C ZINC000036787862 167121433 /nfs/dbraw/zinc/12/14/33/167121433.db2.gz YQNVHHFDXGDQEN-CQSZACIVSA-N 1 0 248.414 3.665 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)C ZINC000036787863 167122054 /nfs/dbraw/zinc/12/20/54/167122054.db2.gz YQNVHHFDXGDQEN-AWEZNQCLSA-N 1 0 248.414 3.665 10 0 BHAERO CCC(CC)[N@H+](C)C1(CN)CCCCCCC1 ZINC000036788827 168368014 /nfs/dbraw/zinc/36/80/14/168368014.db2.gz YSKKFDHATAAEML-UHFFFAOYSA-N 1 0 240.435 3.549 10 0 BHAERO CCC(CC)[N@@H+](C)[C@](CC)(CN)C[C@H](C)CC ZINC000036788836 168369244 /nfs/dbraw/zinc/36/92/44/168369244.db2.gz NCDFOCFMSISDSC-HIFRSBDPSA-N 1 0 242.451 3.651 10 0 BHAERO CCC(CC)[N@@H+](C)[C@](CC)(CN)C[C@@H](C)CC ZINC000036788837 168369408 /nfs/dbraw/zinc/36/94/08/168369408.db2.gz NCDFOCFMSISDSC-ZFWWWQNUSA-N 1 0 242.451 3.651 10 0 BHAERO CCC(CC)[N@@H+](C)[C@@](CC)(CN)C[C@H](C)CC ZINC000036788838 168368774 /nfs/dbraw/zinc/36/87/74/168368774.db2.gz NCDFOCFMSISDSC-UKRRQHHQSA-N 1 0 242.451 3.651 10 0 BHAERO CCC(CC)[N@@H+](C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000036788839 168368649 /nfs/dbraw/zinc/36/86/49/168368649.db2.gz NCDFOCFMSISDSC-DZGCQCFKSA-N 1 0 242.451 3.651 10 0 BHAERO CCC(CC)[N@H+](C)[C@@H](CC)[C@H](N)c1ccccc1 ZINC000036788926 168368561 /nfs/dbraw/zinc/36/85/61/168368561.db2.gz YLPNYAQNNNCFKO-JKSUJKDBSA-N 1 0 248.414 3.585 10 0 BHAERO CCC(CC)[N@H+](C)[C@H](CC)[C@H](N)c1ccccc1 ZINC000036788927 168368570 /nfs/dbraw/zinc/36/85/70/168368570.db2.gz YLPNYAQNNNCFKO-HZPDHXFCSA-N 1 0 248.414 3.585 10 0 BHAERO CCC(CC)[N@H+](C)[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000036788968 168368581 /nfs/dbraw/zinc/36/85/81/168368581.db2.gz MEQNPJVIYMFVRK-BBRMVZONSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000036788969 168368962 /nfs/dbraw/zinc/36/89/62/168368962.db2.gz MEQNPJVIYMFVRK-CJNGLKHVSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)N(C)c1ccccc1[C@@H](C)[NH2+]C ZINC000036789237 168369767 /nfs/dbraw/zinc/36/97/67/168369767.db2.gz DKQVEZZJZZVQTO-GFCCVEGCSA-N 1 0 234.387 3.592 10 0 BHAERO CCC(CC)N(C)c1ccccc1[C@H](C)[NH2+]C ZINC000036789238 168368438 /nfs/dbraw/zinc/36/84/38/168368438.db2.gz DKQVEZZJZZVQTO-LBPRGKRZSA-N 1 0 234.387 3.592 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N(C)C(CC)CC ZINC000036789239 170160537 /nfs/dbraw/zinc/16/05/37/170160537.db2.gz PNKYSEWAGLUIDS-CYBMUJFWSA-N 1 0 248.414 3.982 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1N(C)C(CC)CC ZINC000036789240 170142055 /nfs/dbraw/zinc/14/20/55/170142055.db2.gz PNKYSEWAGLUIDS-ZDUSSCGKSA-N 1 0 248.414 3.982 10 0 BHAERO CCC(CC)[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036789311 168368909 /nfs/dbraw/zinc/36/89/09/168368909.db2.gz MOJPXYXCIJMLTD-UHFFFAOYSA-N 1 0 246.398 3.665 10 0 BHAERO CCC[NH2+]Cc1ccccc1N(C)C(CC)CC ZINC000036789465 169268391 /nfs/dbraw/zinc/26/83/91/169268391.db2.gz XLRFHSWGFUEZOS-UHFFFAOYSA-N 1 0 248.414 3.811 10 0 BHAERO CCC(CC)N(C)c1ccccc1C[NH2+]C(C)C ZINC000036789466 168368873 /nfs/dbraw/zinc/36/88/73/168368873.db2.gz JDFUYCPRQRDTSR-UHFFFAOYSA-N 1 0 248.414 3.809 10 0 BHAERO CCC[C@@H](C)[N@H+](C)C1(CN)CCCCCCC1 ZINC000036790346 169363877 /nfs/dbraw/zinc/36/38/77/169363877.db2.gz QESSWNGSGXIYMS-CQSZACIVSA-N 1 0 240.435 3.549 10 0 BHAERO CCC[C@@H](C)N(C)c1ccccc1[C@@H](C)[NH2+]C ZINC000036790926 169366525 /nfs/dbraw/zinc/36/65/25/169366525.db2.gz SELGAJWFHFXRBY-CHWSQXEVSA-N 1 0 234.387 3.592 10 0 BHAERO CCC[C@@H](C)N(C)c1ccccc1[C@@H](C)[NH2+]CC ZINC000036790928 169366250 /nfs/dbraw/zinc/36/62/50/169366250.db2.gz HDZPCJXDEJKALS-ZIAGYGMSSA-N 1 0 248.414 3.982 10 0 BHAERO CCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036790993 169364992 /nfs/dbraw/zinc/36/49/92/169364992.db2.gz ILGINNREPFGPHN-CYBMUJFWSA-N 1 0 246.398 3.665 10 0 BHAERO CCC[NH2+]Cc1ccccc1N(C)[C@H](C)CCC ZINC000036791372 169267893 /nfs/dbraw/zinc/26/78/93/169267893.db2.gz PRSOYIWGBRGMKE-CQSZACIVSA-N 1 0 248.414 3.811 10 0 BHAERO CCC[C@@H](C)N(C)c1ccccc1C[NH2+]C(C)C ZINC000036791374 169366523 /nfs/dbraw/zinc/36/65/23/169366523.db2.gz CJSAGWSYDBSXHB-CQSZACIVSA-N 1 0 248.414 3.809 10 0 BHAERO CC(C)c1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000036819716 347826812 /nfs/dbraw/zinc/82/68/12/347826812.db2.gz JAPIFBPXKIMQAZ-LLVKDONJSA-N 1 0 231.261 3.762 10 0 BHAERO CC(C)c1ccc([C@@H]([NH3+])CC(F)(F)F)cc1 ZINC000036819717 347822465 /nfs/dbraw/zinc/82/24/65/347822465.db2.gz JAPIFBPXKIMQAZ-NSHDSACASA-N 1 0 231.261 3.762 10 0 BHAERO CC(C)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840979 387774600 /nfs/dbraw/zinc/77/46/00/387774600.db2.gz RNWMJZLRHLORHB-UHFFFAOYSA-N 1 0 237.774 3.832 10 0 BHAERO CC(C)[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036845760 167379549 /nfs/dbraw/zinc/37/95/49/167379549.db2.gz WIYIGGMMOUJLAM-NUYPLMSZSA-N 1 0 235.346 3.706 10 0 BHAERO Cc1ccc(C2CC([NH2+][C@@H](C)C(C)C)C2)cc1 ZINC000036845785 323727230 /nfs/dbraw/zinc/72/72/30/323727230.db2.gz FZLYKOSQTOFPCQ-JEYLPNPQSA-N 1 0 231.383 3.875 10 0 BHAERO Cc1ccc(C2CC([NH2+][C@H](C)C(C)C)C2)cc1 ZINC000036845788 323727106 /nfs/dbraw/zinc/72/71/06/323727106.db2.gz FZLYKOSQTOFPCQ-IUDNXUCKSA-N 1 0 231.383 3.875 10 0 BHAERO CC(C)[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036845802 323727224 /nfs/dbraw/zinc/72/72/24/323727224.db2.gz UTYBCNSDCRZEHD-PNESKVBLSA-N 1 0 235.346 3.706 10 0 BHAERO CC(C)[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036845805 323726811 /nfs/dbraw/zinc/72/68/11/323726811.db2.gz UTYBCNSDCRZEHD-HIFPTAJRSA-N 1 0 235.346 3.706 10 0 BHAERO Cc1ccccc1C1CC([NH2+][C@@H](C)C(C)C)C1 ZINC000036845836 387782692 /nfs/dbraw/zinc/78/26/92/387782692.db2.gz FERNLOGRADNKHA-NFOMZHRRSA-N 1 0 231.383 3.875 10 0 BHAERO Cc1ccccc1C1CC([NH2+][C@H](C)C(C)C)C1 ZINC000036845838 387783010 /nfs/dbraw/zinc/78/30/10/387783010.db2.gz FERNLOGRADNKHA-WLYUNCDWSA-N 1 0 231.383 3.875 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cc(C)ccc2C)C1 ZINC000036849052 171056349 /nfs/dbraw/zinc/05/63/49/171056349.db2.gz PNJTYLACUUBRDU-IJEWVQPXSA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2cc(C)ccc2C)C1 ZINC000036849055 171040374 /nfs/dbraw/zinc/04/03/74/171040374.db2.gz PNJTYLACUUBRDU-IIAWOOMASA-N 1 0 247.382 3.588 10 0 BHAERO C=COCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000036849381 188286084 /nfs/dbraw/zinc/28/60/84/188286084.db2.gz JMJXDCNLJDUDAY-RRFJBIMHSA-N 1 0 239.403 3.587 10 0 BHAERO C=COCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000036849383 188286111 /nfs/dbraw/zinc/28/61/11/188286111.db2.gz JMJXDCNLJDUDAY-QLFBSQMISA-N 1 0 239.403 3.587 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccc(C)c(C)c2)C1 ZINC000036849407 171056222 /nfs/dbraw/zinc/05/62/22/171056222.db2.gz RCIBAPYEOZZODX-VNQPRFMTSA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2ccc(C)c(C)c2)C1 ZINC000036849411 171040957 /nfs/dbraw/zinc/04/09/57/171040957.db2.gz RCIBAPYEOZZODX-FVQBIDKESA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccc(C)cc2C)C1 ZINC000036849474 171055489 /nfs/dbraw/zinc/05/54/89/171055489.db2.gz SPMPCUFXCDGRJT-IJEWVQPXSA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2ccc(C)cc2C)C1 ZINC000036849477 171039835 /nfs/dbraw/zinc/03/98/35/171039835.db2.gz SPMPCUFXCDGRJT-IIAWOOMASA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000036850277 262900450 /nfs/dbraw/zinc/90/04/50/262900450.db2.gz SVHGPNWEEZVRAV-XJFOESAGSA-N 1 0 211.393 3.835 10 0 BHAERO CCCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852440 712502607 /nfs/dbraw/zinc/50/26/07/712502607.db2.gz XFAUYUJRWGPGBG-CQSZACIVSA-N 1 0 233.355 3.549 10 0 BHAERO CCCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852441 712502145 /nfs/dbraw/zinc/50/21/45/712502145.db2.gz XFAUYUJRWGPGBG-AWEZNQCLSA-N 1 0 233.355 3.549 10 0 BHAERO CC(C)c1cccc(O[C@@H]2C[C@H](C)CC[C@H]2[NH3+])c1 ZINC000036858721 167634475 /nfs/dbraw/zinc/63/44/75/167634475.db2.gz BWBNISPLVDXUDD-DAXOMENPSA-N 1 0 247.382 3.705 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cccc(C)c2C)C1 ZINC000036862281 171056246 /nfs/dbraw/zinc/05/62/46/171056246.db2.gz KMTCEPFARFYYAL-IJEWVQPXSA-N 1 0 247.382 3.588 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2cccc(C)c2C)C1 ZINC000036862285 171039974 /nfs/dbraw/zinc/03/99/74/171039974.db2.gz KMTCEPFARFYYAL-IIAWOOMASA-N 1 0 247.382 3.588 10 0 BHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccccc2)C1 ZINC000036865990 187423088 /nfs/dbraw/zinc/42/30/88/187423088.db2.gz RWCSWOGMLQDRCX-VHDGCEQUSA-N 1 0 247.382 3.608 10 0 BHAERO CC(C)c1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000036906563 167592832 /nfs/dbraw/zinc/59/28/32/167592832.db2.gz GLSWFRNPAOXEPS-UHFFFAOYSA-N 1 0 231.383 3.742 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000036925627 178648523 /nfs/dbraw/zinc/64/85/23/178648523.db2.gz ULWBBRORNLRBSQ-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO [NH3+][C@@H]1CCCOc2c(-c3ccccc3)cccc21 ZINC000036928582 181579250 /nfs/dbraw/zinc/57/92/50/181579250.db2.gz ZCKAMQWIEQYKHK-OAHLLOKOSA-N 1 0 239.318 3.526 10 0 BHAERO CCc1cc2c(c(C(C)(C)C)c1)OCCC[C@H]2[NH3+] ZINC000036928650 171776042 /nfs/dbraw/zinc/77/60/42/171776042.db2.gz GAGNSANRBRPMBC-CQSZACIVSA-N 1 0 247.382 3.719 10 0 BHAERO CCCOc1cccc2c(C)c([C@@H](C)[NH3+])oc21 ZINC000036928805 169325723 /nfs/dbraw/zinc/32/57/23/169325723.db2.gz ZQVLVBLQBMGMJB-SNVBAGLBSA-N 1 0 233.311 3.550 10 0 BHAERO CCCOc1cccc2c(C)c([C@H](C)[NH3+])oc21 ZINC000036928806 169325649 /nfs/dbraw/zinc/32/56/49/169325649.db2.gz ZQVLVBLQBMGMJB-JTQLQIEISA-N 1 0 233.311 3.550 10 0 BHAERO Cc1c2cccc(Cl)c2sc1[C@@H](C)[NH3+] ZINC000036928919 347965929 /nfs/dbraw/zinc/96/59/29/347965929.db2.gz ZPQORIGFYIKEEN-SSDOTTSWSA-N 1 0 225.744 3.883 10 0 BHAERO Cc1c2cccc(Cl)c2sc1[C@H](C)[NH3+] ZINC000036928920 347966055 /nfs/dbraw/zinc/96/60/55/347966055.db2.gz ZPQORIGFYIKEEN-ZETCQYMHSA-N 1 0 225.744 3.883 10 0 BHAERO CC(C)c1ccc(-c2ccc(C[NH3+])o2)cc1 ZINC000036929575 361579718 /nfs/dbraw/zinc/57/97/18/361579718.db2.gz CBGYEHGDQGHGDU-UHFFFAOYSA-N 1 0 215.296 3.529 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937827 387878975 /nfs/dbraw/zinc/87/89/75/387878975.db2.gz UBYAWZCAQVNEHB-NWDGAFQWSA-N 1 0 239.790 3.905 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937829 387879096 /nfs/dbraw/zinc/87/90/96/387879096.db2.gz UBYAWZCAQVNEHB-RYUDHWBXSA-N 1 0 239.790 3.905 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937831 262909280 /nfs/dbraw/zinc/90/92/80/262909280.db2.gz UBYAWZCAQVNEHB-VXGBXAGGSA-N 1 0 239.790 3.905 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937833 387879332 /nfs/dbraw/zinc/87/93/32/387879332.db2.gz UBYAWZCAQVNEHB-NEPJUHHUSA-N 1 0 239.790 3.905 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036959883 322826315 /nfs/dbraw/zinc/82/63/15/322826315.db2.gz XWCBXBGXFJDSHQ-PWSUYJOCSA-N 1 0 209.333 3.675 10 0 BHAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036959884 384466435 /nfs/dbraw/zinc/46/64/35/384466435.db2.gz XWCBXBGXFJDSHQ-JQWIXIFHSA-N 1 0 209.333 3.675 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000036959885 384465812 /nfs/dbraw/zinc/46/58/12/384465812.db2.gz XWCBXBGXFJDSHQ-ZYHUDNBSSA-N 1 0 209.333 3.675 10 0 BHAERO CCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000036959886 322826388 /nfs/dbraw/zinc/82/63/88/322826388.db2.gz XWCBXBGXFJDSHQ-CMPLNLGQSA-N 1 0 209.333 3.675 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000036960386 383921908 /nfs/dbraw/zinc/92/19/08/383921908.db2.gz JQIGJMCDEQNUDI-NWDGAFQWSA-N 1 0 245.322 3.705 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000036960388 383923330 /nfs/dbraw/zinc/92/33/30/383923330.db2.gz JQIGJMCDEQNUDI-RYUDHWBXSA-N 1 0 245.322 3.705 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000036960390 383924673 /nfs/dbraw/zinc/92/46/73/383924673.db2.gz JQIGJMCDEQNUDI-VXGBXAGGSA-N 1 0 245.322 3.705 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000036960392 178898799 /nfs/dbraw/zinc/89/87/99/178898799.db2.gz JQIGJMCDEQNUDI-NEPJUHHUSA-N 1 0 245.322 3.705 10 0 BHAERO c1ccc2c(c1)Oc1ccccc1C2[NH2+]C1CC1 ZINC000036961643 183454131 /nfs/dbraw/zinc/45/41/31/183454131.db2.gz LLWBOLVLRLGBEM-UHFFFAOYSA-N 1 0 237.302 3.634 10 0 BHAERO CCC[NH+](CCC)Cc1cc(N)ccc1Cl ZINC000036964791 169149428 /nfs/dbraw/zinc/14/94/28/169149428.db2.gz QXLWSJZJRJEOFR-UHFFFAOYSA-N 1 0 240.778 3.544 10 0 BHAERO CC(C)(C)c1cccc(OCCC[NH2+]C2CC2)c1 ZINC000036970002 188113497 /nfs/dbraw/zinc/11/34/97/188113497.db2.gz LKEWXDABDPKMOS-UHFFFAOYSA-N 1 0 247.382 3.505 10 0 BHAERO CCc1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000036985094 171891082 /nfs/dbraw/zinc/89/10/82/171891082.db2.gz FQGBLLSNZBDLJA-GOEBONIOSA-N 1 0 247.382 3.678 10 0 BHAERO CCc1ccccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000036985096 171891585 /nfs/dbraw/zinc/89/15/85/171891585.db2.gz FQGBLLSNZBDLJA-GDBMZVCRSA-N 1 0 247.382 3.678 10 0 BHAERO CCc1ccccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000036985097 171891800 /nfs/dbraw/zinc/89/18/00/171891800.db2.gz FQGBLLSNZBDLJA-ZBFHGGJFSA-N 1 0 247.382 3.678 10 0 BHAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000037021784 176405962 /nfs/dbraw/zinc/40/59/62/176405962.db2.gz MFUUPWQNIVJZQT-DDTOSNHZSA-N 1 0 217.356 3.640 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074222 169359756 /nfs/dbraw/zinc/35/97/56/169359756.db2.gz GYBSGWOVNNEYPK-TZMCWYRMSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[C@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074223 712535480 /nfs/dbraw/zinc/53/54/80/712535480.db2.gz GYBSGWOVNNEYPK-GXTWGEPZSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074224 169360689 /nfs/dbraw/zinc/36/06/89/169360689.db2.gz GYBSGWOVNNEYPK-OCCSQVGLSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[C@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074225 169483493 /nfs/dbraw/zinc/48/34/93/169483493.db2.gz GYBSGWOVNNEYPK-JSGCOSHPSA-N 1 0 233.355 3.536 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074235 171367028 /nfs/dbraw/zinc/36/70/28/171367028.db2.gz JCRCTUSLBAIMCJ-OUCADQQQSA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074237 171390712 /nfs/dbraw/zinc/39/07/12/171390712.db2.gz JCRCTUSLBAIMCJ-SGMGOOAPSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092576 167381071 /nfs/dbraw/zinc/38/10/71/167381071.db2.gz UVWNCYLOUFEXNZ-KPPDAEKUSA-N 1 0 237.309 3.742 10 0 BHAERO CC(C)[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092577 712536595 /nfs/dbraw/zinc/53/65/95/712536595.db2.gz UVWNCYLOUFEXNZ-WHXUTIOJSA-N 1 0 237.309 3.742 10 0 BHAERO CCCCOC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000037093399 188286223 /nfs/dbraw/zinc/28/62/23/188286223.db2.gz UMAQVBUUMNKXFZ-HNNXBMFYSA-N 1 0 235.371 3.627 10 0 BHAERO CCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000037093429 168907877 /nfs/dbraw/zinc/90/78/77/168907877.db2.gz QSJIHKYESNLIDF-CABCVRRESA-N 1 0 235.371 3.528 10 0 BHAERO CCC[N@H+](CC)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000037094914 169129033 /nfs/dbraw/zinc/12/90/33/169129033.db2.gz VQZXMFLNJDHOKQ-INIZCTEOSA-N 1 0 248.414 3.542 10 0 BHAERO CCC[N@H+](CC)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000037094915 169125486 /nfs/dbraw/zinc/12/54/86/169125486.db2.gz VQZXMFLNJDHOKQ-MRXNPFEDSA-N 1 0 248.414 3.542 10 0 BHAERO CCC[N@H+](C(C)C)[C@](CC)(CN)C[C@@H](C)CC ZINC000037095924 169049349 /nfs/dbraw/zinc/04/93/49/169049349.db2.gz RUVHJSVRANZXHH-GJZGRUSLSA-N 1 0 242.451 3.651 10 0 BHAERO CCC[N@H+](C(C)C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000037095925 169049394 /nfs/dbraw/zinc/04/93/94/169049394.db2.gz RUVHJSVRANZXHH-LSDHHAIUSA-N 1 0 242.451 3.651 10 0 BHAERO CCC[N@H+](C(C)C)[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037096066 169048919 /nfs/dbraw/zinc/04/89/19/169048919.db2.gz BMWBGPHEDWVQOY-HOCLYGCPSA-N 1 0 248.414 3.504 10 0 BHAERO CCC[N@H+](C(C)C)[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037096067 169049541 /nfs/dbraw/zinc/04/95/41/169049541.db2.gz BMWBGPHEDWVQOY-ZBFHGGJFSA-N 1 0 248.414 3.504 10 0 BHAERO CCCCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099531 358064978 /nfs/dbraw/zinc/06/49/78/358064978.db2.gz UOPPMROAQWPKLO-WDEREUQCSA-N 1 0 237.309 3.887 10 0 BHAERO CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099563 358065140 /nfs/dbraw/zinc/06/51/40/358065140.db2.gz CIOGUQYTJIGZMD-OUAUKWLOSA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099564 358064679 /nfs/dbraw/zinc/06/46/79/358064679.db2.gz CIOGUQYTJIGZMD-GARJFASQSA-N 1 0 237.309 3.743 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099811 358065168 /nfs/dbraw/zinc/06/51/68/358065168.db2.gz XFWHKOMJHSAZJB-OUAUKWLOSA-N 1 0 237.309 3.742 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099812 358064962 /nfs/dbraw/zinc/06/49/62/358064962.db2.gz XFWHKOMJHSAZJB-GARJFASQSA-N 1 0 237.309 3.742 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000037117269 176145283 /nfs/dbraw/zinc/14/52/83/176145283.db2.gz HXIVOVUHLGQGES-VNHYZAJKSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000037117270 177137224 /nfs/dbraw/zinc/13/72/24/177137224.db2.gz HXIVOVUHLGQGES-KCQAQPDRSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000037117271 176124128 /nfs/dbraw/zinc/12/41/28/176124128.db2.gz HXIVOVUHLGQGES-UMVBOHGHSA-N 1 0 245.366 3.679 10 0 BHAERO c1ccc2c(c1)OCC[C@H]2[NH2+]CC1CCCCC1 ZINC000037117273 183453002 /nfs/dbraw/zinc/45/30/02/183453002.db2.gz NFPPKGGDLQVMKF-OAHLLOKOSA-N 1 0 245.366 3.680 10 0 BHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]CC1CCCCC1 ZINC000037117274 387559808 /nfs/dbraw/zinc/55/98/08/387559808.db2.gz NFPPKGGDLQVMKF-HNNXBMFYSA-N 1 0 245.366 3.680 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037118031 187805257 /nfs/dbraw/zinc/80/52/57/187805257.db2.gz OTIMLUMQIZJPTA-TZMCWYRMSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037118032 712545687 /nfs/dbraw/zinc/54/56/87/712545687.db2.gz OTIMLUMQIZJPTA-GXTWGEPZSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037118033 712545864 /nfs/dbraw/zinc/54/58/64/712545864.db2.gz OTIMLUMQIZJPTA-OCCSQVGLSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037118034 712545519 /nfs/dbraw/zinc/54/55/19/712545519.db2.gz OTIMLUMQIZJPTA-JSGCOSHPSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118608 169281660 /nfs/dbraw/zinc/28/16/60/169281660.db2.gz FBCPNUKMBBRLIN-GFCCVEGCSA-N 1 0 221.344 3.601 10 0 BHAERO CCC[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118609 169290753 /nfs/dbraw/zinc/29/07/53/169290753.db2.gz FBCPNUKMBBRLIN-LBPRGKRZSA-N 1 0 221.344 3.601 10 0 BHAERO [NH3+][C@H](CC1CCCC1)c1ccc(Cl)s1 ZINC000037133180 348020013 /nfs/dbraw/zinc/02/00/13/348020013.db2.gz NUUNPOLZYGANHH-SECBINFHSA-N 1 0 229.776 3.982 10 0 BHAERO [NH3+][C@@H](CC1CCCC1)c1ccc(Cl)s1 ZINC000037133181 348020357 /nfs/dbraw/zinc/02/03/57/348020357.db2.gz NUUNPOLZYGANHH-VIFPVBQESA-N 1 0 229.776 3.982 10 0 BHAERO Cc1[nH]c2ccc(NC3CCC(C)CC3)cc2[nH+]1 ZINC000037139682 180094429 /nfs/dbraw/zinc/09/44/29/180094429.db2.gz JEUNREANZAYMOB-UHFFFAOYSA-N 1 0 243.354 3.862 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141894 188325396 /nfs/dbraw/zinc/32/53/96/188325396.db2.gz KPIYWNCZHFKOKU-GARJFASQSA-N 1 0 237.309 3.742 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141896 187461745 /nfs/dbraw/zinc/46/17/45/187461745.db2.gz KPIYWNCZHFKOKU-DCAQKATOSA-N 1 0 237.309 3.742 10 0 BHAERO CCCCCC[C@](C)(CN)[N@H+](C)CCCCC ZINC000037165282 168680696 /nfs/dbraw/zinc/68/06/96/168680696.db2.gz CFUCMDULMNUEJA-OAHLLOKOSA-N 1 0 242.451 3.796 10 0 BHAERO CCCCCC[C@@](C)(CN)[N@H+](C)C[C@@H](C)CC ZINC000037172692 168677821 /nfs/dbraw/zinc/67/78/21/168677821.db2.gz XLRAUOJPMAPBLY-GJZGRUSLSA-N 1 0 242.451 3.652 10 0 BHAERO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](C)C[C@@H](C)CC ZINC000037172750 171274904 /nfs/dbraw/zinc/27/49/04/171274904.db2.gz RVYGLUJHACLOIK-ILXRZTDVSA-N 1 0 242.451 3.508 10 0 BHAERO CC[C@H](C)C[N@H+](C)[C@](CC)(CN)C[C@@H](C)CC ZINC000037172751 171274469 /nfs/dbraw/zinc/27/44/69/171274469.db2.gz RVYGLUJHACLOIK-KKUMJFAQSA-N 1 0 242.451 3.508 10 0 BHAERO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)C[C@@H](C)CC ZINC000037172752 171275059 /nfs/dbraw/zinc/27/50/59/171275059.db2.gz RVYGLUJHACLOIK-QLFBSQMISA-N 1 0 242.451 3.508 10 0 BHAERO CC[C@H](C)C[N@H+](C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000037172753 171273787 /nfs/dbraw/zinc/27/37/87/171273787.db2.gz RVYGLUJHACLOIK-SOUVJXGZSA-N 1 0 242.451 3.508 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CC(C)(C)C1 ZINC000037179694 322827320 /nfs/dbraw/zinc/82/73/20/322827320.db2.gz MHDLCQOGNIFGKL-YPMHNXCESA-N 1 0 209.377 3.591 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CC2CCC2)CC(C)(C)C1 ZINC000037179696 322827332 /nfs/dbraw/zinc/82/73/32/322827332.db2.gz MHDLCQOGNIFGKL-AAEUAGOBSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CC(C)(C)C1 ZINC000037179698 322827167 /nfs/dbraw/zinc/82/71/67/322827167.db2.gz MHDLCQOGNIFGKL-DGCLKSJQSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC(C)(C)C1 ZINC000037179700 322827326 /nfs/dbraw/zinc/82/73/26/322827326.db2.gz MHDLCQOGNIFGKL-WCQYABFASA-N 1 0 209.377 3.591 10 0 BHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCC1 ZINC000037180172 188113054 /nfs/dbraw/zinc/11/30/54/188113054.db2.gz BLKGNGYSIXSEPI-INIZCTEOSA-N 1 0 229.367 3.844 10 0 BHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CCC1 ZINC000037180174 188286777 /nfs/dbraw/zinc/28/67/77/188286777.db2.gz BLKGNGYSIXSEPI-MRXNPFEDSA-N 1 0 229.367 3.844 10 0 BHAERO C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037184182 173419306 /nfs/dbraw/zinc/41/93/06/173419306.db2.gz OEQIZPTVSWGSSB-YFKPBYRVSA-N 1 0 238.545 3.927 10 0 BHAERO C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000037184183 385602012 /nfs/dbraw/zinc/60/20/12/385602012.db2.gz OEQIZPTVSWGSSB-RXMQYKEDSA-N 1 0 238.545 3.927 10 0 BHAERO CCC(CC)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037187023 168391936 /nfs/dbraw/zinc/39/19/36/168391936.db2.gz MFZUJGJQGFLIRY-ZDUSSCGKSA-N 1 0 234.387 3.846 10 0 BHAERO CCC(CC)[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000037187024 168392344 /nfs/dbraw/zinc/39/23/44/168392344.db2.gz MFZUJGJQGFLIRY-CYBMUJFWSA-N 1 0 234.387 3.846 10 0 BHAERO CCC(CC)[NH2+][C@@H]1CCCOc2c(C)cccc21 ZINC000037187029 168391544 /nfs/dbraw/zinc/39/15/44/168391544.db2.gz AYPLTCYYABVTGM-OAHLLOKOSA-N 1 0 247.382 3.987 10 0 BHAERO CCC(CC)[NH2+][C@H]1CCCOc2c(C)cccc21 ZINC000037187030 168392562 /nfs/dbraw/zinc/39/25/62/168392562.db2.gz AYPLTCYYABVTGM-HNNXBMFYSA-N 1 0 247.382 3.987 10 0 BHAERO CC[C@H]([NH2+]Cc1ccccc1Cl)C(C)C ZINC000037198944 322827244 /nfs/dbraw/zinc/82/72/44/322827244.db2.gz RDUASHJAZORKJU-ZDUSSCGKSA-N 1 0 225.763 3.864 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccccc1Cl)C(C)C ZINC000037198945 384488242 /nfs/dbraw/zinc/48/82/42/384488242.db2.gz RDUASHJAZORKJU-CYBMUJFWSA-N 1 0 225.763 3.864 10 0 BHAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000037201594 180326357 /nfs/dbraw/zinc/32/63/57/180326357.db2.gz WHQDWQTZBMTNIT-CKBZRRDASA-N 1 0 238.400 3.681 10 0 BHAERO Cc1ncsc1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000037201595 180326269 /nfs/dbraw/zinc/32/62/69/180326269.db2.gz WHQDWQTZBMTNIT-ZYXZCXLHSA-N 1 0 238.400 3.681 10 0 BHAERO Cc1ccc2sc(CCCCCC[NH3+])nc2c1 ZINC000037204493 178990761 /nfs/dbraw/zinc/99/07/61/178990761.db2.gz XIFUSENISNGEKI-UHFFFAOYSA-N 1 0 248.395 3.666 10 0 BHAERO CCC[NH+]1CCC([C@@H](C)Nc2ccccc2)CC1 ZINC000037208622 169191474 /nfs/dbraw/zinc/19/14/74/169191474.db2.gz PNHRQCXNHPQPHS-CQSZACIVSA-N 1 0 246.398 3.609 10 0 BHAERO CCC[NH+]1CCC([C@H](C)Nc2ccccc2)CC1 ZINC000037208623 169191304 /nfs/dbraw/zinc/19/13/04/169191304.db2.gz PNHRQCXNHPQPHS-AWEZNQCLSA-N 1 0 246.398 3.609 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000037217577 388599389 /nfs/dbraw/zinc/59/93/89/388599389.db2.gz KGVHGLCBOINVIV-OLZOCXBDSA-N 1 0 235.371 3.925 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000037217578 388599267 /nfs/dbraw/zinc/59/92/67/388599267.db2.gz KGVHGLCBOINVIV-STQMWFEESA-N 1 0 235.371 3.925 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000037217579 388599454 /nfs/dbraw/zinc/59/94/54/388599454.db2.gz KGVHGLCBOINVIV-CHWSQXEVSA-N 1 0 235.371 3.925 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000037217580 324438529 /nfs/dbraw/zinc/43/85/29/324438529.db2.gz KGVHGLCBOINVIV-QWHCGFSZSA-N 1 0 235.371 3.925 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)C(C)C ZINC000037217581 324438411 /nfs/dbraw/zinc/43/84/11/324438411.db2.gz NHSQNNLSIDXROQ-JSGCOSHPSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)C(C)C ZINC000037217582 324438571 /nfs/dbraw/zinc/43/85/71/324438571.db2.gz NHSQNNLSIDXROQ-GXTWGEPZSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)C(C)C ZINC000037217583 388599106 /nfs/dbraw/zinc/59/91/06/388599106.db2.gz NHSQNNLSIDXROQ-OCCSQVGLSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)C(C)C ZINC000037217584 324438537 /nfs/dbraw/zinc/43/85/37/324438537.db2.gz NHSQNNLSIDXROQ-TZMCWYRMSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC000037229856 388606021 /nfs/dbraw/zinc/60/60/21/388606021.db2.gz NJMSROMSXWNNSM-LSDHHAIUSA-N 1 0 217.356 3.698 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC000037229858 324460152 /nfs/dbraw/zinc/46/01/52/324460152.db2.gz NJMSROMSXWNNSM-HUUCEWRRSA-N 1 0 217.356 3.698 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCc2ccccc21)C(C)C ZINC000037229860 388605595 /nfs/dbraw/zinc/60/55/95/388605595.db2.gz NJMSROMSXWNNSM-GJZGRUSLSA-N 1 0 217.356 3.698 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)C(C)C ZINC000037229862 388606351 /nfs/dbraw/zinc/60/63/51/388606351.db2.gz NJMSROMSXWNNSM-CABCVRRESA-N 1 0 217.356 3.698 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C(C)C ZINC000037234766 388606967 /nfs/dbraw/zinc/60/69/67/388606967.db2.gz CSKPEVVCTKXGDV-FZMZJTMJSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(C)C ZINC000037234768 324463046 /nfs/dbraw/zinc/46/30/46/324463046.db2.gz CSKPEVVCTKXGDV-SMDDNHRTSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)C(C)C ZINC000037234770 324462842 /nfs/dbraw/zinc/46/28/42/324462842.db2.gz CSKPEVVCTKXGDV-RISCZKNCSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C(C)C ZINC000037234772 388605843 /nfs/dbraw/zinc/60/58/43/388605843.db2.gz CSKPEVVCTKXGDV-BXUZGUMPSA-N 1 0 223.335 3.911 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000037235184 168948028 /nfs/dbraw/zinc/94/80/28/168948028.db2.gz DGMOLQJACNOCCP-MNOVXSKESA-N 1 0 211.374 3.977 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000037235186 712556312 /nfs/dbraw/zinc/55/63/12/712556312.db2.gz DGMOLQJACNOCCP-QWRGUYRKSA-N 1 0 211.374 3.977 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000037235188 712556387 /nfs/dbraw/zinc/55/63/87/712556387.db2.gz DGMOLQJACNOCCP-GHMZBOCLSA-N 1 0 211.374 3.977 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000037235190 168992020 /nfs/dbraw/zinc/99/20/20/168992020.db2.gz DGMOLQJACNOCCP-WDEREUQCSA-N 1 0 211.374 3.977 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cccs1)C(C)C ZINC000037235192 384488835 /nfs/dbraw/zinc/48/88/35/384488835.db2.gz LSUONMUGNQRJOQ-QWRGUYRKSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)C(C)C ZINC000037235194 322827547 /nfs/dbraw/zinc/82/75/47/322827547.db2.gz LSUONMUGNQRJOQ-WDEREUQCSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccs1)C(C)C ZINC000037235196 384490427 /nfs/dbraw/zinc/49/04/27/384490427.db2.gz LSUONMUGNQRJOQ-MNOVXSKESA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)C(C)C ZINC000037235198 384490103 /nfs/dbraw/zinc/49/01/03/384490103.db2.gz LSUONMUGNQRJOQ-GHMZBOCLSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCCc2occc21)C(C)C ZINC000037241915 358470678 /nfs/dbraw/zinc/47/06/78/358470678.db2.gz HAYGQRXQXUCSJO-QWHCGFSZSA-N 1 0 221.344 3.681 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCCc2occc21)C(C)C ZINC000037241918 170910598 /nfs/dbraw/zinc/91/05/98/170910598.db2.gz HAYGQRXQXUCSJO-CHWSQXEVSA-N 1 0 221.344 3.681 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCCc2occc21)C(C)C ZINC000037241920 171548501 /nfs/dbraw/zinc/54/85/01/171548501.db2.gz HAYGQRXQXUCSJO-STQMWFEESA-N 1 0 221.344 3.681 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCCc2occc21)C(C)C ZINC000037241922 358470305 /nfs/dbraw/zinc/47/03/05/358470305.db2.gz HAYGQRXQXUCSJO-OLZOCXBDSA-N 1 0 221.344 3.681 10 0 BHAERO CCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000037247797 171804839 /nfs/dbraw/zinc/80/48/39/171804839.db2.gz BTSJRHWXVILJQD-UHFFFAOYSA-N 1 0 231.383 3.919 10 0 BHAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)c(F)c1 ZINC000037249702 323200703 /nfs/dbraw/zinc/20/07/03/323200703.db2.gz QUVUNVIPNPJABJ-MNOVXSKESA-N 1 0 239.334 3.529 10 0 BHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)c(F)c1 ZINC000037249704 323200751 /nfs/dbraw/zinc/20/07/51/323200751.db2.gz QUVUNVIPNPJABJ-QWRGUYRKSA-N 1 0 239.334 3.529 10 0 BHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)c(F)c1 ZINC000037249706 323200733 /nfs/dbraw/zinc/20/07/33/323200733.db2.gz QUVUNVIPNPJABJ-GHMZBOCLSA-N 1 0 239.334 3.529 10 0 BHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(F)c1 ZINC000037249708 323200695 /nfs/dbraw/zinc/20/06/95/323200695.db2.gz QUVUNVIPNPJABJ-WDEREUQCSA-N 1 0 239.334 3.529 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000037249710 384490115 /nfs/dbraw/zinc/49/01/15/384490115.db2.gz FTAFMXNHSBVWOB-QWHCGFSZSA-N 1 0 205.345 3.690 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000037249712 322827531 /nfs/dbraw/zinc/82/75/31/322827531.db2.gz FTAFMXNHSBVWOB-STQMWFEESA-N 1 0 205.345 3.690 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000037249714 384490330 /nfs/dbraw/zinc/49/03/30/384490330.db2.gz FTAFMXNHSBVWOB-CHWSQXEVSA-N 1 0 205.345 3.690 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000037249716 384490280 /nfs/dbraw/zinc/49/02/80/384490280.db2.gz FTAFMXNHSBVWOB-OLZOCXBDSA-N 1 0 205.345 3.690 10 0 BHAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249838 538962380 /nfs/dbraw/zinc/96/23/80/538962380.db2.gz WZTAMOVGCCPXOY-QWHCGFSZSA-N 1 0 235.371 3.699 10 0 BHAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249840 538962345 /nfs/dbraw/zinc/96/23/45/538962345.db2.gz WZTAMOVGCCPXOY-STQMWFEESA-N 1 0 235.371 3.699 10 0 BHAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000037249842 538962471 /nfs/dbraw/zinc/96/24/71/538962471.db2.gz WZTAMOVGCCPXOY-CHWSQXEVSA-N 1 0 235.371 3.699 10 0 BHAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000037249844 538962477 /nfs/dbraw/zinc/96/24/77/538962477.db2.gz WZTAMOVGCCPXOY-OLZOCXBDSA-N 1 0 235.371 3.699 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000037249918 712558406 /nfs/dbraw/zinc/55/84/06/712558406.db2.gz ZHSQBSMSCSRXCT-WFASDCNBSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000037249920 712558413 /nfs/dbraw/zinc/55/84/13/712558413.db2.gz ZHSQBSMSCSRXCT-SWLSCSKDSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000037249922 712558577 /nfs/dbraw/zinc/55/85/77/712558577.db2.gz ZHSQBSMSCSRXCT-DOMZBBRYSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000037249924 712558353 /nfs/dbraw/zinc/55/83/53/712558353.db2.gz ZHSQBSMSCSRXCT-IUODEOHRSA-N 1 0 247.382 3.707 10 0 BHAERO C[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000037252948 177136792 /nfs/dbraw/zinc/13/67/92/177136792.db2.gz FBBSSGDEXCODGU-XDQVBPFNSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000037252950 190987798 /nfs/dbraw/zinc/98/77/98/190987798.db2.gz FBBSSGDEXCODGU-XJFOESAGSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000037252952 188287243 /nfs/dbraw/zinc/28/72/43/188287243.db2.gz FBBSSGDEXCODGU-IGQOVBAYSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037254378 176144309 /nfs/dbraw/zinc/14/43/09/176144309.db2.gz SSNSOTDHWAZRFA-MNOVXSKESA-N 1 0 239.309 3.633 10 0 BHAERO C[C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037254380 177137109 /nfs/dbraw/zinc/13/71/09/177137109.db2.gz SSNSOTDHWAZRFA-QWRGUYRKSA-N 1 0 239.309 3.633 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037254382 176123744 /nfs/dbraw/zinc/12/37/44/176123744.db2.gz SSNSOTDHWAZRFA-GHMZBOCLSA-N 1 0 239.309 3.633 10 0 BHAERO C[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037254384 177123125 /nfs/dbraw/zinc/12/31/25/177123125.db2.gz SSNSOTDHWAZRFA-WDEREUQCSA-N 1 0 239.309 3.633 10 0 BHAERO Cc1ncsc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037255333 180327024 /nfs/dbraw/zinc/32/70/24/180327024.db2.gz QZTPWGQDSUWRMW-SNVBAGLBSA-N 1 0 238.400 3.682 10 0 BHAERO Cc1ncsc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000037255335 180326496 /nfs/dbraw/zinc/32/64/96/180326496.db2.gz QZTPWGQDSUWRMW-JTQLQIEISA-N 1 0 238.400 3.682 10 0 BHAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCCC1 ZINC000037257668 183442436 /nfs/dbraw/zinc/44/24/36/183442436.db2.gz BKQCUVFMHHMKGR-INIZCTEOSA-N 1 0 229.367 3.844 10 0 BHAERO c1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCCC1 ZINC000037257670 183441783 /nfs/dbraw/zinc/44/17/83/183441783.db2.gz BKQCUVFMHHMKGR-MRXNPFEDSA-N 1 0 229.367 3.844 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037257797 175079084 /nfs/dbraw/zinc/07/90/84/175079084.db2.gz DWURWPLRZYSESI-CYBMUJFWSA-N 1 0 247.382 3.844 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037257799 175081233 /nfs/dbraw/zinc/08/12/33/175081233.db2.gz DWURWPLRZYSESI-ZDUSSCGKSA-N 1 0 247.382 3.844 10 0 BHAERO CC[C@H]([NH2+]CC1CCCC1)c1ccc(OC)cc1 ZINC000037257849 171518425 /nfs/dbraw/zinc/51/84/25/171518425.db2.gz PWPLCUDPOCZFSD-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037257895 324495744 /nfs/dbraw/zinc/49/57/44/324495744.db2.gz MJLCQBXODGVWJS-CYBMUJFWSA-N 1 0 217.356 3.836 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037257897 388616818 /nfs/dbraw/zinc/61/68/18/388616818.db2.gz MJLCQBXODGVWJS-ZDUSSCGKSA-N 1 0 217.356 3.836 10 0 BHAERO CCOc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1 ZINC000037257928 170562576 /nfs/dbraw/zinc/56/25/76/170562576.db2.gz YKLKWOZXCXLATR-ZDUSSCGKSA-N 1 0 247.382 3.926 10 0 BHAERO CC[C@H]([NH2+]CC1CCCC1)c1ccc(O)cc1 ZINC000037257977 171518561 /nfs/dbraw/zinc/51/85/61/171518561.db2.gz VVTDXFDZOPBEHB-HNNXBMFYSA-N 1 0 233.355 3.623 10 0 BHAERO C[C@H]([NH2+]CC1CCCC1)c1cccs1 ZINC000037258071 384489622 /nfs/dbraw/zinc/48/96/22/384489622.db2.gz JDHLYVIRSJXBSS-JTQLQIEISA-N 1 0 209.358 3.589 10 0 BHAERO C[C@@H]([NH2+]CC1CCCC1)c1cccs1 ZINC000037258072 322827768 /nfs/dbraw/zinc/82/77/68/322827768.db2.gz JDHLYVIRSJXBSS-SNVBAGLBSA-N 1 0 209.358 3.589 10 0 BHAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(O)cc1 ZINC000037259567 175869913 /nfs/dbraw/zinc/86/99/13/175869913.db2.gz VTOOFUSFGJQHTF-GFCCVEGCSA-N 1 0 233.355 3.623 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000037260330 179182180 /nfs/dbraw/zinc/18/21/80/179182180.db2.gz DBIHVHHLGYDPJC-OLZOCXBDSA-N 1 0 229.323 4.000 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000037260332 179197101 /nfs/dbraw/zinc/19/71/01/179197101.db2.gz DBIHVHHLGYDPJC-STQMWFEESA-N 1 0 229.323 4.000 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000037260334 179182276 /nfs/dbraw/zinc/18/22/76/179182276.db2.gz DBIHVHHLGYDPJC-CHWSQXEVSA-N 1 0 229.323 4.000 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000037260336 179197414 /nfs/dbraw/zinc/19/74/14/179197414.db2.gz DBIHVHHLGYDPJC-QWHCGFSZSA-N 1 0 229.323 4.000 10 0 BHAERO CCCOc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037260725 169318103 /nfs/dbraw/zinc/31/81/03/169318103.db2.gz RGVCCXWZEQRKSZ-AWEZNQCLSA-N 1 0 249.398 4.000 10 0 BHAERO CCCOc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037260727 169318426 /nfs/dbraw/zinc/31/84/26/169318426.db2.gz RGVCCXWZEQRKSZ-CQSZACIVSA-N 1 0 249.398 4.000 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccc(O)cc1 ZINC000037261158 171535550 /nfs/dbraw/zinc/53/55/50/171535550.db2.gz QYZNMIXQWMFOQM-WFASDCNBSA-N 1 0 235.371 3.868 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000037280595 538962467 /nfs/dbraw/zinc/96/24/67/538962467.db2.gz PEGKKAMISNCCIT-PWSUYJOCSA-N 1 0 209.333 3.817 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000037280597 538962207 /nfs/dbraw/zinc/96/22/07/538962207.db2.gz PEGKKAMISNCCIT-JQWIXIFHSA-N 1 0 209.333 3.817 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000037280599 538962121 /nfs/dbraw/zinc/96/21/21/538962121.db2.gz PEGKKAMISNCCIT-ZYHUDNBSSA-N 1 0 209.333 3.817 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000037280601 538962418 /nfs/dbraw/zinc/96/24/18/538962418.db2.gz PEGKKAMISNCCIT-CMPLNLGQSA-N 1 0 209.333 3.817 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)C(C)C ZINC000037280603 322827735 /nfs/dbraw/zinc/82/77/35/322827735.db2.gz OCRDMWYKDZORMJ-RYUDHWBXSA-N 1 0 209.333 3.673 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)C(C)C ZINC000037280604 322827766 /nfs/dbraw/zinc/82/77/66/322827766.db2.gz OCRDMWYKDZORMJ-NWDGAFQWSA-N 1 0 209.333 3.673 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)C(C)C ZINC000037280606 384492214 /nfs/dbraw/zinc/49/22/14/384492214.db2.gz OCRDMWYKDZORMJ-NEPJUHHUSA-N 1 0 209.333 3.673 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)C(C)C ZINC000037280608 322827773 /nfs/dbraw/zinc/82/77/73/322827773.db2.gz OCRDMWYKDZORMJ-VXGBXAGGSA-N 1 0 209.333 3.673 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000037283463 324561844 /nfs/dbraw/zinc/56/18/44/324561844.db2.gz RYJIAZCZGKITNZ-AAEUAGOBSA-N 1 0 249.354 3.501 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000037283464 324561707 /nfs/dbraw/zinc/56/17/07/324561707.db2.gz RYJIAZCZGKITNZ-WCQYABFASA-N 1 0 249.354 3.501 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000037283465 324562183 /nfs/dbraw/zinc/56/21/83/324562183.db2.gz RYJIAZCZGKITNZ-YPMHNXCESA-N 1 0 249.354 3.501 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000037283466 388641076 /nfs/dbraw/zinc/64/10/76/388641076.db2.gz RYJIAZCZGKITNZ-DGCLKSJQSA-N 1 0 249.354 3.501 10 0 BHAERO CCCCc1ccc(Nc2cc[nH+]cc2N)cc1 ZINC000037287166 169021736 /nfs/dbraw/zinc/02/17/36/169021736.db2.gz QSMINAVUIQDWDO-UHFFFAOYSA-N 1 0 241.338 3.750 10 0 BHAERO CCCCc1ccc(NCC[NH+](CC)CC)cc1 ZINC000037287201 169021841 /nfs/dbraw/zinc/02/18/41/169021841.db2.gz MSUWCNYPFOIPDQ-UHFFFAOYSA-N 1 0 248.414 3.783 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000037289267 348312178 /nfs/dbraw/zinc/31/21/78/348312178.db2.gz DRBVINJGXPARFV-ZDUSSCGKSA-N 1 0 221.344 3.584 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000037289268 348312339 /nfs/dbraw/zinc/31/23/39/348312339.db2.gz DRBVINJGXPARFV-CYBMUJFWSA-N 1 0 221.344 3.584 10 0 BHAERO COc1ccc([C@H]([NH3+])CC2CCCCC2)cc1C ZINC000037289279 175192319 /nfs/dbraw/zinc/19/23/19/175192319.db2.gz MMXDTNVFKWTOGC-OAHLLOKOSA-N 1 0 247.382 3.974 10 0 BHAERO COc1ccc([C@@H]([NH3+])CC2CCCCC2)cc1C ZINC000037289280 175179437 /nfs/dbraw/zinc/17/94/37/175179437.db2.gz MMXDTNVFKWTOGC-HNNXBMFYSA-N 1 0 247.382 3.974 10 0 BHAERO CC[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C(C)C ZINC000037300276 171514743 /nfs/dbraw/zinc/51/47/43/171514743.db2.gz DAQIJCFBCMPSCS-CGAUPDFVSA-N 1 0 235.415 3.835 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303409 712566776 /nfs/dbraw/zinc/56/67/76/712566776.db2.gz LOTRNDVQCLBTQK-TZMCWYRMSA-N 1 0 233.355 3.679 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303411 168990669 /nfs/dbraw/zinc/99/06/69/168990669.db2.gz LOTRNDVQCLBTQK-GXTWGEPZSA-N 1 0 233.355 3.679 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037303413 712566921 /nfs/dbraw/zinc/56/69/21/712566921.db2.gz LOTRNDVQCLBTQK-OCCSQVGLSA-N 1 0 233.355 3.679 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037303414 168991836 /nfs/dbraw/zinc/99/18/36/168991836.db2.gz LOTRNDVQCLBTQK-JSGCOSHPSA-N 1 0 233.355 3.679 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)C(C)C ZINC000037303416 171542686 /nfs/dbraw/zinc/54/26/86/171542686.db2.gz XXYJBMBGYFHYJW-UONOGXRCSA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C(C)C ZINC000037303418 712566930 /nfs/dbraw/zinc/56/69/30/712566930.db2.gz XXYJBMBGYFHYJW-ZIAGYGMSSA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)C(C)C ZINC000037303419 712566723 /nfs/dbraw/zinc/56/67/23/712566723.db2.gz XXYJBMBGYFHYJW-KBPBESRZSA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)C(C)C ZINC000037303421 712566956 /nfs/dbraw/zinc/56/69/56/712566956.db2.gz XXYJBMBGYFHYJW-KGLIPLIRSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037375420 348390848 /nfs/dbraw/zinc/39/08/48/348390848.db2.gz CPROURYVLKETMB-JTQLQIEISA-N 1 0 218.127 3.649 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037375422 348391015 /nfs/dbraw/zinc/39/10/15/348391015.db2.gz CPROURYVLKETMB-SNVBAGLBSA-N 1 0 218.127 3.649 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037375434 385640945 /nfs/dbraw/zinc/64/09/45/385640945.db2.gz COKRIWGYLQADKP-SSDOTTSWSA-N 1 0 224.156 3.711 10 0 BHAERO CC(C)[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000037376421 167094979 /nfs/dbraw/zinc/09/49/79/167094979.db2.gz SYDIAPPYSCDMGX-UHFFFAOYSA-N 1 0 239.318 3.880 10 0 BHAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377720 348385571 /nfs/dbraw/zinc/38/55/71/348385571.db2.gz UESDZLUZBKSTRJ-CDOJRTKCSA-N 1 0 230.138 3.649 10 0 BHAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377726 348385574 /nfs/dbraw/zinc/38/55/74/348385574.db2.gz UESDZLUZBKSTRJ-AZTOOPQRSA-N 1 0 230.138 3.649 10 0 BHAERO CCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378504 348387193 /nfs/dbraw/zinc/38/71/93/348387193.db2.gz ZIQUTSNVEDZOSN-JTQLQIEISA-N 1 0 218.127 3.793 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378507 343343924 /nfs/dbraw/zinc/34/39/24/343343924.db2.gz ZIQUTSNVEDZOSN-SNVBAGLBSA-N 1 0 218.127 3.793 10 0 BHAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000037379258 348387903 /nfs/dbraw/zinc/38/79/03/348387903.db2.gz SSIDSJOHSBPJHB-MRVPVSSYSA-N 1 0 236.167 3.855 10 0 BHAERO [NH3+][C@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000037379261 348387892 /nfs/dbraw/zinc/38/78/92/348387892.db2.gz SSIDSJOHSBPJHB-QMMMGPOBSA-N 1 0 236.167 3.855 10 0 BHAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379276 348387968 /nfs/dbraw/zinc/38/79/68/348387968.db2.gz NHHSRXLKSXVUBT-FOHZUACHSA-N 1 0 236.167 3.711 10 0 BHAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379281 348387723 /nfs/dbraw/zinc/38/77/23/348387723.db2.gz NHHSRXLKSXVUBT-LRMHIPNDSA-N 1 0 236.167 3.711 10 0 BHAERO CCC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379395 348388418 /nfs/dbraw/zinc/38/84/18/348388418.db2.gz XFSAQZVMHKDFMC-LURJTMIESA-N 1 0 224.156 3.855 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379398 169394022 /nfs/dbraw/zinc/39/40/22/169394022.db2.gz XFSAQZVMHKDFMC-ZCFIWIBFSA-N 1 0 224.156 3.855 10 0 BHAERO CC(C)C[C@](C)([NH3+])c1cccc(Cl)c1 ZINC000037379908 348388610 /nfs/dbraw/zinc/38/86/10/348388610.db2.gz WJELEKOYLKLSFO-LBPRGKRZSA-N 1 0 211.736 3.560 10 0 BHAERO CC(C)C[C@@](C)([NH3+])c1cccc(Cl)c1 ZINC000037379911 348388447 /nfs/dbraw/zinc/38/84/47/348388447.db2.gz WJELEKOYLKLSFO-GFCCVEGCSA-N 1 0 211.736 3.560 10 0 BHAERO CC(C)C[C@](C)([NH3+])c1ccccc1Cl ZINC000037380001 348389461 /nfs/dbraw/zinc/38/94/61/348389461.db2.gz FBRVXQXNOWCXNE-LBPRGKRZSA-N 1 0 211.736 3.560 10 0 BHAERO CC(C)C[C@@](C)([NH3+])c1ccccc1Cl ZINC000037380004 348389510 /nfs/dbraw/zinc/38/95/10/348389510.db2.gz FBRVXQXNOWCXNE-GFCCVEGCSA-N 1 0 211.736 3.560 10 0 BHAERO [NH2+]=C1c2ccccc2CN1C1CCCCCC1 ZINC000037387770 181208287 /nfs/dbraw/zinc/20/82/87/181208287.db2.gz KJOXIGACVHLAOI-UHFFFAOYSA-N 1 0 228.339 3.550 10 0 BHAERO Nc1[nH+]c2ccccc2n1C1CCCCCC1 ZINC000037390411 181794358 /nfs/dbraw/zinc/79/43/58/181794358.db2.gz PWGNLDVVVBYNII-UHFFFAOYSA-N 1 0 229.327 3.514 10 0 BHAERO CCC(CC)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000037409757 168386940 /nfs/dbraw/zinc/38/69/40/168386940.db2.gz SXHYTKPFSTXTJU-UHFFFAOYSA-N 1 0 235.346 3.850 10 0 BHAERO CCC[N@H+](CC(=O)c1cc(C)ccc1C)C(C)C ZINC000037415032 169101391 /nfs/dbraw/zinc/10/13/91/169101391.db2.gz RTWDFRWLMIERNX-UHFFFAOYSA-N 1 0 247.382 3.607 10 0 BHAERO CCC(CC)[N@H+](C)CC(=O)c1cc(C)ccc1C ZINC000037415197 168367773 /nfs/dbraw/zinc/36/77/73/168367773.db2.gz PEMZZXKWSXCUFZ-UHFFFAOYSA-N 1 0 247.382 3.607 10 0 BHAERO CCC[C@@H](C)[N@H+](C)CC(=O)c1cc(C)ccc1C ZINC000037415211 169364202 /nfs/dbraw/zinc/36/42/02/169364202.db2.gz HYAGFVYIYLLWCW-CQSZACIVSA-N 1 0 247.382 3.607 10 0 BHAERO CCC[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439705 169505154 /nfs/dbraw/zinc/50/51/54/169505154.db2.gz CPPPZLGHDANNQZ-NSHDSACASA-N 1 0 249.333 3.556 10 0 BHAERO CCC[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439706 169393425 /nfs/dbraw/zinc/39/34/25/169393425.db2.gz CPPPZLGHDANNQZ-LLVKDONJSA-N 1 0 249.333 3.556 10 0 BHAERO CCC[C@@H]([NH3+])c1nc2c(cccc2F)n1C(C)C ZINC000037442838 169394035 /nfs/dbraw/zinc/39/40/35/169394035.db2.gz OYHRUOOHZAHYJY-LLVKDONJSA-N 1 0 249.333 3.556 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000037466241 179200386 /nfs/dbraw/zinc/20/03/86/179200386.db2.gz QWGCHWDBMXCHIX-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000037466243 179186588 /nfs/dbraw/zinc/18/65/88/179186588.db2.gz QWGCHWDBMXCHIX-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO CC(C)C[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000037466884 343346404 /nfs/dbraw/zinc/34/64/04/343346404.db2.gz UZUMTAAZXIQTDL-NSHDSACASA-N 1 0 246.181 3.909 10 0 BHAERO CC(C)C[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000037466886 343346297 /nfs/dbraw/zinc/34/62/97/343346297.db2.gz UZUMTAAZXIQTDL-LLVKDONJSA-N 1 0 246.181 3.909 10 0 BHAERO C[NH2+][C@@H](c1ccsc1)C1CCCCC1 ZINC000037467694 348610533 /nfs/dbraw/zinc/61/05/33/348610533.db2.gz HFIVVJYJPRQDHT-GFCCVEGCSA-N 1 0 209.358 3.589 10 0 BHAERO C[NH2+][C@H](c1ccsc1)C1CCCCC1 ZINC000037467696 348610613 /nfs/dbraw/zinc/61/06/13/348610613.db2.gz HFIVVJYJPRQDHT-LBPRGKRZSA-N 1 0 209.358 3.589 10 0 BHAERO COc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000037501020 388644655 /nfs/dbraw/zinc/64/46/55/388644655.db2.gz PZBUKHUWPWARBX-UHFFFAOYSA-N 1 0 247.382 3.755 10 0 BHAERO c1ccc(CC[NH2+]CCC2CCCCC2)cc1 ZINC000037501059 712656046 /nfs/dbraw/zinc/65/60/46/712656046.db2.gz MBXUNRCFUHKMDK-UHFFFAOYSA-N 1 0 231.383 3.789 10 0 BHAERO CCCC1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC000037529410 168604369 /nfs/dbraw/zinc/60/43/69/168604369.db2.gz XHLHMBFZJYSOSA-UHFFFAOYSA-N 1 0 247.382 3.840 10 0 BHAERO COc1ccccc1[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037529435 175356421 /nfs/dbraw/zinc/35/64/21/175356421.db2.gz FYSHOJUNXOXTAJ-WBMJQRKESA-N 1 0 247.382 3.695 10 0 BHAERO COc1ccccc1[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037529436 175355899 /nfs/dbraw/zinc/35/58/99/175355899.db2.gz FYSHOJUNXOXTAJ-LRDDRELGSA-N 1 0 247.382 3.695 10 0 BHAERO COc1ccccc1[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037529437 175350146 /nfs/dbraw/zinc/35/01/46/175350146.db2.gz FYSHOJUNXOXTAJ-MLGOLLRUSA-N 1 0 247.382 3.695 10 0 BHAERO COc1ccccc1[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037529438 175350003 /nfs/dbraw/zinc/35/00/03/175350003.db2.gz FYSHOJUNXOXTAJ-BLLLJJGKSA-N 1 0 247.382 3.695 10 0 BHAERO Cc1cccc([C@@]2([NH3+])CCCc3ccccc32)c1 ZINC000037529471 179192236 /nfs/dbraw/zinc/19/22/36/179192236.db2.gz QXFISVUDCSTZSS-KRWDZBQOSA-N 1 0 237.346 3.534 10 0 BHAERO Cc1ccccc1[C@]1([NH3+])CCCc2ccccc21 ZINC000037529478 179352631 /nfs/dbraw/zinc/35/26/31/179352631.db2.gz RZCMYRVOZQRDIX-QGZVFWFLSA-N 1 0 237.346 3.534 10 0 BHAERO Cc1ccccc1[C@@]1([NH3+])CCCc2ccccc21 ZINC000037529479 179332712 /nfs/dbraw/zinc/33/27/12/179332712.db2.gz RZCMYRVOZQRDIX-KRWDZBQOSA-N 1 0 237.346 3.534 10 0 BHAERO C[C@]([NH3+])(c1ccc(F)cc1)c1ccccc1Cl ZINC000037529715 177445694 /nfs/dbraw/zinc/44/56/94/177445694.db2.gz FUUVRNRXPGLRFB-AWEZNQCLSA-N 1 0 249.716 3.701 10 0 BHAERO Cc1ccccc1[C@](C)([NH3+])Cc1ccc(F)cc1 ZINC000037531114 179350756 /nfs/dbraw/zinc/35/07/56/179350756.db2.gz IXKBCIXPJNLPSX-MRXNPFEDSA-N 1 0 243.325 3.551 10 0 BHAERO Cc1ccccc1[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC000037531115 179333132 /nfs/dbraw/zinc/33/31/32/179333132.db2.gz IXKBCIXPJNLPSX-INIZCTEOSA-N 1 0 243.325 3.551 10 0 BHAERO Cc1cccc(C[C@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000037531182 179106263 /nfs/dbraw/zinc/10/62/63/179106263.db2.gz GJTXYIRJCNTELL-INIZCTEOSA-N 1 0 243.325 3.551 10 0 BHAERO Cc1cccc(C[C@@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000037531183 179104052 /nfs/dbraw/zinc/10/40/52/179104052.db2.gz GJTXYIRJCNTELL-MRXNPFEDSA-N 1 0 243.325 3.551 10 0 BHAERO Cc1cccc(C[C@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037531230 179106712 /nfs/dbraw/zinc/10/67/12/179106712.db2.gz ZAXISEGJSJBRIA-INIZCTEOSA-N 1 0 243.325 3.551 10 0 BHAERO Cc1cccc(C[C@@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037531231 179105062 /nfs/dbraw/zinc/10/50/62/179105062.db2.gz ZAXISEGJSJBRIA-MRXNPFEDSA-N 1 0 243.325 3.551 10 0 BHAERO CC[C@@]([NH3+])(Cc1ccc(F)cc1)c1ccccc1 ZINC000037531578 171193226 /nfs/dbraw/zinc/19/32/26/171193226.db2.gz AJLIWVLGVLNQEI-MRXNPFEDSA-N 1 0 243.325 3.632 10 0 BHAERO CC[C@@]([NH3+])(Cc1cccc(C)c1)c1ccccc1 ZINC000037531590 171193414 /nfs/dbraw/zinc/19/34/14/171193414.db2.gz HRJVEKMPEVUTJG-QGZVFWFLSA-N 1 0 239.362 3.802 10 0 BHAERO Cc1cccc([C@](C)([NH3+])CCc2ccccc2)c1 ZINC000037531742 179205172 /nfs/dbraw/zinc/20/51/72/179205172.db2.gz ZRMSLEIVCNMEPK-QGZVFWFLSA-N 1 0 239.362 3.802 10 0 BHAERO Cc1cccc([C@@](C)([NH3+])CCc2ccccc2)c1 ZINC000037531744 179191939 /nfs/dbraw/zinc/19/19/39/179191939.db2.gz ZRMSLEIVCNMEPK-KRWDZBQOSA-N 1 0 239.362 3.802 10 0 BHAERO C[C@]([NH3+])(CCc1ccccc1)c1ccccc1F ZINC000037531752 177444883 /nfs/dbraw/zinc/44/48/83/177444883.db2.gz OOKLISVFCRCCAM-INIZCTEOSA-N 1 0 243.325 3.632 10 0 BHAERO CC[C@@]([NH3+])(CCc1ccccc1)c1ccccc1 ZINC000037531783 171193385 /nfs/dbraw/zinc/19/33/85/171193385.db2.gz HAYGFHFNFPYWLF-QGZVFWFLSA-N 1 0 239.362 3.883 10 0 BHAERO CCC[NH2+][C@@H](c1cccc(OC)c1)C1CCCC1 ZINC000037533287 169280701 /nfs/dbraw/zinc/28/07/01/169280701.db2.gz HVWBZHOMOGUCNL-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCC[NH2+][C@H](c1cccc(OC)c1)C1CCCC1 ZINC000037533288 169290428 /nfs/dbraw/zinc/29/04/28/169290428.db2.gz HVWBZHOMOGUCNL-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CCOc1cccc([C@H]([NH2+]C)C2CCCC2)c1 ZINC000037533348 170585541 /nfs/dbraw/zinc/58/55/41/170585541.db2.gz NWAVMVQLFFWGTO-OAHLLOKOSA-N 1 0 233.355 3.536 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1cccc(OCC)c1 ZINC000037533450 169278073 /nfs/dbraw/zinc/27/80/73/169278073.db2.gz WCERJYALYASPLP-HNNXBMFYSA-N 1 0 235.371 3.926 10 0 BHAERO CCC[NH2+][C@H](CCC)c1cccc(OCC)c1 ZINC000037533451 169289400 /nfs/dbraw/zinc/28/94/00/169289400.db2.gz WCERJYALYASPLP-OAHLLOKOSA-N 1 0 235.371 3.926 10 0 BHAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(F)c1 ZINC000037533550 173425684 /nfs/dbraw/zinc/42/56/84/173425684.db2.gz OPHPFQGQOHBYNJ-INIZCTEOSA-N 1 0 243.325 3.637 10 0 BHAERO [NH3+][C@@H](CCc1ccccc1)c1cccc(Cl)c1 ZINC000037533765 181544384 /nfs/dbraw/zinc/54/43/84/181544384.db2.gz LNZUOHYDTGDPHV-HNNXBMFYSA-N 1 0 245.753 3.973 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CCc1ccccc1 ZINC000037533953 179343462 /nfs/dbraw/zinc/34/34/62/179343462.db2.gz QSIDBKRDZCNGJH-MRXNPFEDSA-N 1 0 225.335 3.628 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])CCc1ccccc1 ZINC000037533954 179324224 /nfs/dbraw/zinc/32/42/24/179324224.db2.gz QSIDBKRDZCNGJH-INIZCTEOSA-N 1 0 225.335 3.628 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000037534303 170145905 /nfs/dbraw/zinc/14/59/05/170145905.db2.gz POYQQQADEVPKCH-INIZCTEOSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000037534304 170162344 /nfs/dbraw/zinc/16/23/44/170162344.db2.gz POYQQQADEVPKCH-MRXNPFEDSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1ccsc1 ZINC000037534721 170146633 /nfs/dbraw/zinc/14/66/33/170146633.db2.gz KNIJEBKTAMBXNP-HNNXBMFYSA-N 1 0 245.391 3.950 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1ccsc1 ZINC000037534722 170162724 /nfs/dbraw/zinc/16/27/24/170162724.db2.gz KNIJEBKTAMBXNP-OAHLLOKOSA-N 1 0 245.391 3.950 10 0 BHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1C ZINC000037535032 173425348 /nfs/dbraw/zinc/42/53/48/173425348.db2.gz BLZYGIKYWGQBPQ-INIZCTEOSA-N 1 0 243.325 3.637 10 0 BHAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000037535297 169279624 /nfs/dbraw/zinc/27/96/24/169279624.db2.gz YELXMGZSZFJUFD-HOTGVXAUSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000037535298 169289233 /nfs/dbraw/zinc/28/92/33/169289233.db2.gz YELXMGZSZFJUFD-JKSUJKDBSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(C)cc1 ZINC000037535299 169278864 /nfs/dbraw/zinc/27/88/64/169278864.db2.gz YELXMGZSZFJUFD-CVEARBPZSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(C)cc1 ZINC000037535300 169289301 /nfs/dbraw/zinc/28/93/01/169289301.db2.gz YELXMGZSZFJUFD-HZPDHXFCSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccccc1C ZINC000037535313 169278889 /nfs/dbraw/zinc/27/88/89/169278889.db2.gz PSMPKFBFMGCEEG-HOCLYGCPSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccccc1C ZINC000037535314 169289333 /nfs/dbraw/zinc/28/93/33/169289333.db2.gz PSMPKFBFMGCEEG-GOEBONIOSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccccc1C ZINC000037535315 169279007 /nfs/dbraw/zinc/27/90/07/169279007.db2.gz PSMPKFBFMGCEEG-ZBFHGGJFSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1ccccc1C ZINC000037535316 169289278 /nfs/dbraw/zinc/28/92/78/169289278.db2.gz PSMPKFBFMGCEEG-GDBMZVCRSA-N 1 0 247.382 3.605 10 0 BHAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1C ZINC000037535655 173425695 /nfs/dbraw/zinc/42/56/95/173425695.db2.gz ZGWNOUQUPBYQPB-INIZCTEOSA-N 1 0 243.325 3.637 10 0 BHAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1ccccc1C ZINC000037535658 173426120 /nfs/dbraw/zinc/42/61/20/173426120.db2.gz RLTQYMRXPVDBCD-KRWDZBQOSA-N 1 0 239.362 3.807 10 0 BHAERO C[NH2+][C@H](Cc1cccc(C)c1)c1ccccc1C ZINC000037535659 173454321 /nfs/dbraw/zinc/45/43/21/173454321.db2.gz RLTQYMRXPVDBCD-QGZVFWFLSA-N 1 0 239.362 3.807 10 0 BHAERO C[NH2+][C@@H](c1ccc(C)c(F)c1)C1CCCCC1 ZINC000037535756 173427456 /nfs/dbraw/zinc/42/74/56/173427456.db2.gz QPDASBCJBMBGSH-OAHLLOKOSA-N 1 0 235.346 3.975 10 0 BHAERO C[NH2+][C@@H](Cc1cccc(C)c1)C1CCCCC1 ZINC000037535880 173425705 /nfs/dbraw/zinc/42/57/05/173425705.db2.gz NHXHJSBQCPORQH-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO CCC[NH2+][C@@H](c1ccccc1OC)C(C)(C)C ZINC000037535982 169280865 /nfs/dbraw/zinc/28/08/65/169280865.db2.gz WKFMGVDDKSRLCM-AWEZNQCLSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[NH2+][C@H](c1ccccc1OC)C(C)(C)C ZINC000037535983 169291072 /nfs/dbraw/zinc/29/10/72/169291072.db2.gz WKFMGVDDKSRLCM-CQSZACIVSA-N 1 0 235.371 3.782 10 0 BHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565157 177113591 /nfs/dbraw/zinc/11/35/91/177113591.db2.gz WDSRAIDEIJSBFU-AHICOJMPSA-N 1 0 243.394 3.741 10 0 BHAERO C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565158 177130326 /nfs/dbraw/zinc/13/03/26/177130326.db2.gz WDSRAIDEIJSBFU-YDHLFZDLSA-N 1 0 243.394 3.741 10 0 BHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565159 176113709 /nfs/dbraw/zinc/11/37/09/176113709.db2.gz WDSRAIDEIJSBFU-NFAWXSAZSA-N 1 0 243.394 3.741 10 0 BHAERO CC[C@H](C)[NH2+]Cc1nc2ccccc2n1C(C)C ZINC000037599484 171343956 /nfs/dbraw/zinc/34/39/56/171343956.db2.gz OFJNTIAKJLKNKV-LBPRGKRZSA-N 1 0 245.370 3.505 10 0 BHAERO CC(C)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000037606483 167120613 /nfs/dbraw/zinc/12/06/13/167120613.db2.gz NUNODZFFJYKRIQ-UHFFFAOYSA-N 1 0 246.354 3.623 10 0 BHAERO CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2)c[nH]1 ZINC000037620816 169009363 /nfs/dbraw/zinc/00/93/63/169009363.db2.gz APSKIXNLSUDCGD-ZDUSSCGKSA-N 1 0 243.354 3.575 10 0 BHAERO Cc1c2cccc(C)c2sc1[C@@H](C)[NH3+] ZINC000037666025 350286118 /nfs/dbraw/zinc/28/61/18/350286118.db2.gz XSYRZQKLLIGQSO-SECBINFHSA-N 1 0 205.326 3.538 10 0 BHAERO Cc1c2cccc(C)c2sc1[C@H](C)[NH3+] ZINC000037666026 350286030 /nfs/dbraw/zinc/28/60/30/350286030.db2.gz XSYRZQKLLIGQSO-VIFPVBQESA-N 1 0 205.326 3.538 10 0 BHAERO CCC[C@@H](C)C[NH2+]Cc1cccc(OCC)c1 ZINC000037679457 169360210 /nfs/dbraw/zinc/36/02/10/169360210.db2.gz VMBRELNJVNUWAB-CYBMUJFWSA-N 1 0 235.371 3.611 10 0 BHAERO [NH3+]Cc1ccc(SC2CCCCC2)cc1 ZINC000037687259 343144449 /nfs/dbraw/zinc/14/44/49/343144449.db2.gz HUBZOFIBTBTTCU-UHFFFAOYSA-N 1 0 221.369 3.570 10 0 BHAERO [NH3+]Cc1ccc(CSC2CCCCC2)cc1 ZINC000037687313 343351230 /nfs/dbraw/zinc/35/12/30/343351230.db2.gz GENHJZJJGAQHGA-UHFFFAOYSA-N 1 0 235.396 3.711 10 0 BHAERO Cc1ccc(OCc2cccs2)c([C@H](C)[NH3+])c1 ZINC000037710592 178815845 /nfs/dbraw/zinc/81/58/45/178815845.db2.gz FFSIGXAIISNESP-NSHDSACASA-N 1 0 247.363 3.655 10 0 BHAERO Cc1cc(CC[NH3+])cc(C)c1OC1CCCCC1 ZINC000037720213 177962320 /nfs/dbraw/zinc/96/23/20/177962320.db2.gz BUQKGGWGJYAQAR-UHFFFAOYSA-N 1 0 247.382 3.516 10 0 BHAERO CC[C@H](C)Oc1ccc2ccccc2c1CC[NH3+] ZINC000037721508 171356117 /nfs/dbraw/zinc/35/61/17/171356117.db2.gz NHDAQJVOZPHXSE-LBPRGKRZSA-N 1 0 243.350 3.518 10 0 BHAERO CC(C)=CCOc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000037723174 187424411 /nfs/dbraw/zinc/42/44/11/187424411.db2.gz MSXFGFUSSORFGF-CQSZACIVSA-N 1 0 247.382 3.538 10 0 BHAERO Cc1cc(C[C@@H](C)[NH3+])cc(C)c1OC1CCCC1 ZINC000037723246 178053812 /nfs/dbraw/zinc/05/38/12/178053812.db2.gz WPIVZQYFCXHMJU-CYBMUJFWSA-N 1 0 247.382 3.515 10 0 BHAERO Cc1cc(C[C@H](C)[NH3+])cc(C)c1OC1CCCC1 ZINC000037723247 178056464 /nfs/dbraw/zinc/05/64/64/178056464.db2.gz WPIVZQYFCXHMJU-ZDUSSCGKSA-N 1 0 247.382 3.515 10 0 BHAERO CC[C@@H]([NH3+])Cc1cc(C)c(O[C@@H](C)CC)c(C)c1 ZINC000037723411 171356283 /nfs/dbraw/zinc/35/62/83/171356283.db2.gz SHQJJIMACFHNGN-DZGCQCFKSA-N 1 0 249.398 3.761 10 0 BHAERO CC[C@H]([NH3+])Cc1cc(C)c(O[C@@H](C)CC)c(C)c1 ZINC000037723413 171485828 /nfs/dbraw/zinc/48/58/28/171485828.db2.gz SHQJJIMACFHNGN-ZFWWWQNUSA-N 1 0 249.398 3.761 10 0 BHAERO CCCCOc1c(C)cc(C[C@@H]([NH3+])CC)cc1C ZINC000037723419 168914417 /nfs/dbraw/zinc/91/44/17/168914417.db2.gz KXDNMFBYWWHLEL-HNNXBMFYSA-N 1 0 249.398 3.762 10 0 BHAERO C[C@@H]([NH3+])Cc1ccc(OCC2CCCCC2)cc1 ZINC000037723709 175807478 /nfs/dbraw/zinc/80/74/78/175807478.db2.gz IPWPJXDLSAMLBS-CYBMUJFWSA-N 1 0 247.382 3.535 10 0 BHAERO CCCCCCOc1ccccc1C[C@H](C)[NH3+] ZINC000037724223 168672879 /nfs/dbraw/zinc/67/28/79/168672879.db2.gz JGKPVBDAJQZZOV-ZDUSSCGKSA-N 1 0 235.371 3.535 10 0 BHAERO CCCCCCOc1ccccc1C[C@@H]([NH3+])CC ZINC000037724579 168672996 /nfs/dbraw/zinc/67/29/96/168672996.db2.gz VPEQSFVAADAKSE-HNNXBMFYSA-N 1 0 249.398 3.926 10 0 BHAERO CCCCCCOc1cccc(C[C@@H]([NH3+])CC)c1 ZINC000037726755 168673251 /nfs/dbraw/zinc/67/32/51/168673251.db2.gz JEHBGMKSWFMCER-HNNXBMFYSA-N 1 0 249.398 3.926 10 0 BHAERO CCCCCOc1cccc(C[C@@H]([NH3+])CC)c1 ZINC000037726761 168731309 /nfs/dbraw/zinc/73/13/09/168731309.db2.gz KSWPLVCDKKIVSB-AWEZNQCLSA-N 1 0 235.371 3.535 10 0 BHAERO CCCOc1ccc2ccccc2c1C[C@@H](C)[NH3+] ZINC000037727482 169323916 /nfs/dbraw/zinc/32/39/16/169323916.db2.gz NWRSHIOKWUDCLT-GFCCVEGCSA-N 1 0 243.350 3.518 10 0 BHAERO CCCOc1ccc2ccccc2c1C[C@H](C)[NH3+] ZINC000037727483 169324442 /nfs/dbraw/zinc/32/44/42/169324442.db2.gz NWRSHIOKWUDCLT-LBPRGKRZSA-N 1 0 243.350 3.518 10 0 BHAERO CC(C)Oc1ccc2ccccc2c1C[C@@H](C)[NH3+] ZINC000037727484 167303562 /nfs/dbraw/zinc/30/35/62/167303562.db2.gz CJALLMROEIUDKF-GFCCVEGCSA-N 1 0 243.350 3.517 10 0 BHAERO CC(C)Oc1ccc2ccccc2c1C[C@H](C)[NH3+] ZINC000037727485 167304348 /nfs/dbraw/zinc/30/43/48/167304348.db2.gz CJALLMROEIUDKF-LBPRGKRZSA-N 1 0 243.350 3.517 10 0 BHAERO CCc1ccc(Oc2ccc(C[NH3+])cc2C)cc1 ZINC000037733315 171828537 /nfs/dbraw/zinc/82/85/37/171828537.db2.gz OWZUIABMEWTMPV-UHFFFAOYSA-N 1 0 241.334 3.808 10 0 BHAERO Cc1ccc(Oc2ccc(C[NH3+])cc2C)cc1 ZINC000037733332 178819462 /nfs/dbraw/zinc/81/94/62/178819462.db2.gz WCQZWJDIHCKMAR-UHFFFAOYSA-N 1 0 227.307 3.554 10 0 BHAERO Cc1ccccc1Sc1ccc(C[NH3+])cc1C ZINC000037733468 179316620 /nfs/dbraw/zinc/31/66/20/179316620.db2.gz YHYPXFBHWIKWAS-UHFFFAOYSA-N 1 0 243.375 3.913 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000037734703 179106183 /nfs/dbraw/zinc/10/61/83/179106183.db2.gz WJOBQBDBTGIJJB-INIZCTEOSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000037734704 179104470 /nfs/dbraw/zinc/10/44/70/179104470.db2.gz WJOBQBDBTGIJJB-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CCCC1 ZINC000037734787 170147320 /nfs/dbraw/zinc/14/73/20/170147320.db2.gz XKCMDZVTFFLOPN-OAHLLOKOSA-N 1 0 235.346 3.975 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CCCC1 ZINC000037734788 170164306 /nfs/dbraw/zinc/16/43/06/170164306.db2.gz XKCMDZVTFFLOPN-HNNXBMFYSA-N 1 0 235.346 3.975 10 0 BHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(F)c(C)c1 ZINC000037734793 170148430 /nfs/dbraw/zinc/14/84/30/170148430.db2.gz NCOIEYGLPTXFQH-INIZCTEOSA-N 1 0 243.325 3.833 10 0 BHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(F)c(C)c1 ZINC000037734794 170164691 /nfs/dbraw/zinc/16/46/91/170164691.db2.gz NCOIEYGLPTXFQH-MRXNPFEDSA-N 1 0 243.325 3.833 10 0 BHAERO CC[C@](C)([NH3+])c1cc(F)c(Cl)cc1Cl ZINC000037735306 364565240 /nfs/dbraw/zinc/56/52/40/364565240.db2.gz PUQMCNAXXSFAAO-JTQLQIEISA-N 1 0 236.117 3.716 10 0 BHAERO CC[C@@](C)([NH3+])c1cc(F)c(Cl)cc1Cl ZINC000037735307 364564519 /nfs/dbraw/zinc/56/45/19/364564519.db2.gz PUQMCNAXXSFAAO-SNVBAGLBSA-N 1 0 236.117 3.716 10 0 BHAERO Fc1cccc(F)c1C[NH2+]CCC1CCCC1 ZINC000037739323 181000196 /nfs/dbraw/zinc/00/01/96/181000196.db2.gz NAVHDKRFYQLKHY-UHFFFAOYSA-N 1 0 239.309 3.635 10 0 BHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCC1CCCC1 ZINC000037739674 183295480 /nfs/dbraw/zinc/29/54/80/183295480.db2.gz KUMCDWMEMDIISS-HNNXBMFYSA-N 1 0 245.366 3.549 10 0 BHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCC1CCCC1 ZINC000037739675 183296250 /nfs/dbraw/zinc/29/62/50/183296250.db2.gz KUMCDWMEMDIISS-OAHLLOKOSA-N 1 0 245.366 3.549 10 0 BHAERO CC(C)Oc1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000037742891 167291410 /nfs/dbraw/zinc/29/14/10/167291410.db2.gz IHDTXDTVUWVSTF-HNNXBMFYSA-N 1 0 247.382 3.549 10 0 BHAERO CC(C)Oc1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000037742892 167291596 /nfs/dbraw/zinc/29/15/96/167291596.db2.gz IHDTXDTVUWVSTF-OAHLLOKOSA-N 1 0 247.382 3.549 10 0 BHAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cccc(C)c2)C1 ZINC000037743524 169419825 /nfs/dbraw/zinc/41/98/25/169419825.db2.gz KAXSCQPWOZLIGV-VNQPRFMTSA-N 1 0 247.382 3.670 10 0 BHAERO CCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1[NH3+] ZINC000037743615 168671740 /nfs/dbraw/zinc/67/17/40/168671740.db2.gz MNWSXAADOIHXOF-KKUMJFAQSA-N 1 0 241.419 3.879 10 0 BHAERO CC[C@@H](C)[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000037745840 364573733 /nfs/dbraw/zinc/57/37/33/364573733.db2.gz BOLJEIFPRHSKBM-SKDRFNHKSA-N 1 0 211.736 3.560 10 0 BHAERO CC[C@H](C)[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000037745841 364573574 /nfs/dbraw/zinc/57/35/74/364573574.db2.gz BOLJEIFPRHSKBM-CABZTGNLSA-N 1 0 211.736 3.560 10 0 BHAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000037745842 364573809 /nfs/dbraw/zinc/57/38/09/364573809.db2.gz BOLJEIFPRHSKBM-BXKDBHETSA-N 1 0 211.736 3.560 10 0 BHAERO CC[C@H](C)[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000037745843 364573413 /nfs/dbraw/zinc/57/34/13/364573413.db2.gz BOLJEIFPRHSKBM-JOYOIKCWSA-N 1 0 211.736 3.560 10 0 BHAERO Cc1cc(C)cc([C@](C)([NH3+])c2ccccc2)c1 ZINC000037745932 177919296 /nfs/dbraw/zinc/91/92/96/177919296.db2.gz PIRGYJQIZHXKOQ-MRXNPFEDSA-N 1 0 225.335 3.526 10 0 BHAERO Cc1cc(C)cc([C@@](C)([NH3+])c2ccccc2C)c1 ZINC000037745936 177917584 /nfs/dbraw/zinc/91/75/84/177917584.db2.gz SIUJESOLDNCMMQ-QGZVFWFLSA-N 1 0 239.362 3.834 10 0 BHAERO Cc1cc(C)cc([C@@](C)([NH3+])c2ccccc2F)c1 ZINC000037745945 177917264 /nfs/dbraw/zinc/91/72/64/177917264.db2.gz YEZJRTHRXNVIMK-MRXNPFEDSA-N 1 0 243.325 3.665 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1cc(C)cc(C)c1 ZINC000037745974 171193729 /nfs/dbraw/zinc/19/37/29/171193729.db2.gz GUSPALBXMFYVQP-QGZVFWFLSA-N 1 0 239.362 3.916 10 0 BHAERO CC[C@]([NH3+])(c1ccccc1)c1cc(C)cc(C)c1 ZINC000037745975 171709235 /nfs/dbraw/zinc/70/92/35/171709235.db2.gz GUSPALBXMFYVQP-KRWDZBQOSA-N 1 0 239.362 3.916 10 0 BHAERO C[NH2+][C@@H](c1cccc(F)c1)c1cc(C)cc(C)c1 ZINC000037746111 173456136 /nfs/dbraw/zinc/45/61/36/173456136.db2.gz LSACLINQGTXDTM-INIZCTEOSA-N 1 0 243.325 3.751 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000037746142 179199769 /nfs/dbraw/zinc/19/97/69/179199769.db2.gz HBVNVPGWLPYEOC-INIZCTEOSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000037746143 179186569 /nfs/dbraw/zinc/18/65/69/179186569.db2.gz HBVNVPGWLPYEOC-MRXNPFEDSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cc(C)cc([C@H]([NH3+])C2CCCCC2)c1 ZINC000037746150 177918925 /nfs/dbraw/zinc/91/89/25/177918925.db2.gz ZQSZDGPWENOOFE-OAHLLOKOSA-N 1 0 217.356 3.884 10 0 BHAERO Cc1cc(C)cc([C@@H]([NH3+])C2CCCCC2)c1 ZINC000037746151 177915925 /nfs/dbraw/zinc/91/59/25/177915925.db2.gz ZQSZDGPWENOOFE-HNNXBMFYSA-N 1 0 217.356 3.884 10 0 BHAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1cc(C)cc(C)c1 ZINC000037746198 170145796 /nfs/dbraw/zinc/14/57/96/170145796.db2.gz AQLUWWTWQAIDMO-HOTGVXAUSA-N 1 0 247.382 3.523 10 0 BHAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1cc(C)cc(C)c1 ZINC000037746199 170162382 /nfs/dbraw/zinc/16/23/82/170162382.db2.gz AQLUWWTWQAIDMO-JKSUJKDBSA-N 1 0 247.382 3.523 10 0 BHAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1cc(C)cc(C)c1 ZINC000037746200 170146413 /nfs/dbraw/zinc/14/64/13/170146413.db2.gz AQLUWWTWQAIDMO-CVEARBPZSA-N 1 0 247.382 3.523 10 0 BHAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)cc(C)c1 ZINC000037746201 170162287 /nfs/dbraw/zinc/16/22/87/170162287.db2.gz AQLUWWTWQAIDMO-HZPDHXFCSA-N 1 0 247.382 3.523 10 0 BHAERO CC[C@@]([NH3+])(c1ccc(Cl)cc1)C(C)C ZINC000037755325 343353559 /nfs/dbraw/zinc/35/35/59/343353559.db2.gz JPNYUMCHYNIVMH-LBPRGKRZSA-N 1 0 211.736 3.560 10 0 BHAERO CC[C@]([NH3+])(c1ccc(Cl)cc1)C(C)C ZINC000037755326 364588489 /nfs/dbraw/zinc/58/84/89/364588489.db2.gz JPNYUMCHYNIVMH-GFCCVEGCSA-N 1 0 211.736 3.560 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(C)c1)C1CCCC1 ZINC000037756693 170146463 /nfs/dbraw/zinc/14/64/63/170146463.db2.gz BIOPWFYSZOVOBU-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(C)c1)C1CCCC1 ZINC000037756694 170162513 /nfs/dbraw/zinc/16/25/13/170162513.db2.gz BIOPWFYSZOVOBU-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO C[C@@H]1CCC[C@]([NH3+])(c2cnc3ccccc3c2)C1 ZINC000037761356 176152394 /nfs/dbraw/zinc/15/23/94/176152394.db2.gz HDOFJMLIHHJAPB-MLGOLLRUSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCC[C@]([NH3+])(c2cnc3ccccc3c2)C1 ZINC000037761357 177143867 /nfs/dbraw/zinc/14/38/67/177143867.db2.gz HDOFJMLIHHJAPB-BLLLJJGKSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@@H]1CCC[C@@]([NH3+])(c2cnc3ccccc3c2)C1 ZINC000037761358 176133914 /nfs/dbraw/zinc/13/39/14/176133914.db2.gz HDOFJMLIHHJAPB-WBMJQRKESA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCC[C@@]([NH3+])(c2cnc3ccccc3c2)C1 ZINC000037761359 177127875 /nfs/dbraw/zinc/12/78/75/177127875.db2.gz HDOFJMLIHHJAPB-LRDDRELGSA-N 1 0 240.350 3.599 10 0 BHAERO CC1CCC([NH3+])(c2cnc3ccccc3c2)CC1 ZINC000037761369 168159855 /nfs/dbraw/zinc/15/98/55/168159855.db2.gz JJGRSDGXTQHNSY-UHFFFAOYSA-N 1 0 240.350 3.599 10 0 BHAERO CCC(C)(C)C1CCC([NH3+])(c2cccnc2)CC1 ZINC000037761379 168270723 /nfs/dbraw/zinc/27/07/23/168270723.db2.gz DKVBTVZNJNPHKH-UHFFFAOYSA-N 1 0 246.398 3.862 10 0 BHAERO [NH3+]C1(c2cnc3ccccc3c2)CCCCCC1 ZINC000037761380 181334717 /nfs/dbraw/zinc/33/47/17/181334717.db2.gz KDPXCWYACBBRMU-UHFFFAOYSA-N 1 0 240.350 3.743 10 0 BHAERO C[C@@H]1CCCC[C@]1([NH3+])c1cnc2ccccc2c1 ZINC000037761398 176091306 /nfs/dbraw/zinc/09/13/06/176091306.db2.gz DVTGHAZESYDHKZ-MLGOLLRUSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCCC[C@]1([NH3+])c1cnc2ccccc2c1 ZINC000037761399 177090326 /nfs/dbraw/zinc/09/03/26/177090326.db2.gz DVTGHAZESYDHKZ-BLLLJJGKSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@@H]1CCCC[C@@]1([NH3+])c1cnc2ccccc2c1 ZINC000037761400 176083586 /nfs/dbraw/zinc/08/35/86/176083586.db2.gz DVTGHAZESYDHKZ-WBMJQRKESA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCCC[C@@]1([NH3+])c1cnc2ccccc2c1 ZINC000037761401 177085493 /nfs/dbraw/zinc/08/54/93/177085493.db2.gz DVTGHAZESYDHKZ-LRDDRELGSA-N 1 0 240.350 3.599 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1cnc2ccccc2c1 ZINC000037761853 179343022 /nfs/dbraw/zinc/34/30/22/179343022.db2.gz UWBFBYWZDHLXDT-QGZVFWFLSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1cnc2ccccc2c1 ZINC000037761854 179324133 /nfs/dbraw/zinc/32/41/33/179324133.db2.gz UWBFBYWZDHLXDT-KRWDZBQOSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cnc3ccccc3c2)c1 ZINC000037761855 179201285 /nfs/dbraw/zinc/20/12/85/179201285.db2.gz RYJFHFUNOFBUEV-KRWDZBQOSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cnc3ccccc3c2)c1 ZINC000037761856 179185858 /nfs/dbraw/zinc/18/58/58/179185858.db2.gz RYJFHFUNOFBUEV-QGZVFWFLSA-N 1 0 248.329 3.591 10 0 BHAERO [NH3+][C@@H](c1cnc2ccccc2c1)C1CCCCC1 ZINC000037761865 181568704 /nfs/dbraw/zinc/56/87/04/181568704.db2.gz DBMVSDVKULBADE-MRXNPFEDSA-N 1 0 240.350 3.815 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1cnc2ccccc2c1 ZINC000037761998 170144240 /nfs/dbraw/zinc/14/42/40/170144240.db2.gz MJWULSBDQMIHTK-INIZCTEOSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1cnc2ccccc2c1 ZINC000037761999 170161222 /nfs/dbraw/zinc/16/12/22/170161222.db2.gz MJWULSBDQMIHTK-MRXNPFEDSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)C(C)C ZINC000037762010 170149409 /nfs/dbraw/zinc/14/94/09/170149409.db2.gz FGUPWMULFFVRGF-OAHLLOKOSA-N 1 0 228.339 3.541 10 0 BHAERO CC[NH2+][C@H](c1cnc2ccccc2c1)C(C)C ZINC000037762011 170165343 /nfs/dbraw/zinc/16/53/43/170165343.db2.gz FGUPWMULFFVRGF-HNNXBMFYSA-N 1 0 228.339 3.541 10 0 BHAERO CCC[NH2+][C@@H](c1cnc2ccccc2c1)C(C)C ZINC000037762012 169280919 /nfs/dbraw/zinc/28/09/19/169280919.db2.gz VWTBYKJTYUQVHS-MRXNPFEDSA-N 1 0 242.366 3.932 10 0 BHAERO CCC[NH2+][C@H](c1cnc2ccccc2c1)C(C)C ZINC000037762013 169290838 /nfs/dbraw/zinc/29/08/38/169290838.db2.gz VWTBYKJTYUQVHS-INIZCTEOSA-N 1 0 242.366 3.932 10 0 BHAERO CCC[NH2+][C@@H](CC)c1cnc2ccccc2c1 ZINC000037762042 169278518 /nfs/dbraw/zinc/27/85/18/169278518.db2.gz AOGQHZONELXEDZ-AWEZNQCLSA-N 1 0 228.339 3.686 10 0 BHAERO CCC[NH2+][C@H](CC)c1cnc2ccccc2c1 ZINC000037762043 169289269 /nfs/dbraw/zinc/28/92/69/169289269.db2.gz AOGQHZONELXEDZ-CQSZACIVSA-N 1 0 228.339 3.686 10 0 BHAERO CCC[NH2+][C@@H](c1cnc2ccccc2c1)C1CC1 ZINC000037762078 169280280 /nfs/dbraw/zinc/28/02/80/169280280.db2.gz XOLBZKAQNROYQY-MRXNPFEDSA-N 1 0 240.350 3.686 10 0 BHAERO CCC[NH2+][C@H](c1cnc2ccccc2c1)C1CC1 ZINC000037762079 169290629 /nfs/dbraw/zinc/29/06/29/169290629.db2.gz XOLBZKAQNROYQY-INIZCTEOSA-N 1 0 240.350 3.686 10 0 BHAERO C[NH2+][C@@H](c1cnc2ccccc2c1)C(C)(C)C ZINC000037762085 173430750 /nfs/dbraw/zinc/43/07/50/173430750.db2.gz PHMFVMIJMKUCTO-AWEZNQCLSA-N 1 0 228.339 3.541 10 0 BHAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)C(C)(C)C ZINC000037762088 170149289 /nfs/dbraw/zinc/14/92/89/170149289.db2.gz WHPIQRYXLXMYSS-HNNXBMFYSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@H](c1cnc2ccccc2c1)C(C)(C)C ZINC000037762089 170164633 /nfs/dbraw/zinc/16/46/33/170164633.db2.gz WHPIQRYXLXMYSS-OAHLLOKOSA-N 1 0 242.366 3.932 10 0 BHAERO C[NH2+][C@@H](c1cnc2ccccc2c1)C1CCCC1 ZINC000037762134 173430174 /nfs/dbraw/zinc/43/01/74/173430174.db2.gz CGQMVKFYDCAAJC-MRXNPFEDSA-N 1 0 240.350 3.686 10 0 BHAERO C[NH2+][C@H](c1cnc2ccccc2c1)C1CCCC1 ZINC000037762135 173459098 /nfs/dbraw/zinc/45/90/98/173459098.db2.gz CGQMVKFYDCAAJC-INIZCTEOSA-N 1 0 240.350 3.686 10 0 BHAERO CC[NH+]1CCC(Nc2c(C)cc(C)cc2C)CC1 ZINC000037763573 169956799 /nfs/dbraw/zinc/95/67/99/169956799.db2.gz TVJNCORIGXVDQR-UHFFFAOYSA-N 1 0 246.398 3.508 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1F)C(C)C ZINC000037764363 388647637 /nfs/dbraw/zinc/64/76/37/388647637.db2.gz VYNXHADGAOAMPX-FZMZJTMJSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(C)C ZINC000037764364 388647120 /nfs/dbraw/zinc/64/71/20/388647120.db2.gz VYNXHADGAOAMPX-SMDDNHRTSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccccc1F)C(C)C ZINC000037764365 388647028 /nfs/dbraw/zinc/64/70/28/388647028.db2.gz VYNXHADGAOAMPX-RISCZKNCSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1F)C(C)C ZINC000037764366 324574821 /nfs/dbraw/zinc/57/48/21/324574821.db2.gz VYNXHADGAOAMPX-BXUZGUMPSA-N 1 0 223.335 3.911 10 0 BHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770517 174876920 /nfs/dbraw/zinc/87/69/20/174876920.db2.gz GOFLHJUYALKCCO-BMFZPTHFSA-N 1 0 247.382 3.603 10 0 BHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770518 174876395 /nfs/dbraw/zinc/87/63/95/174876395.db2.gz GOFLHJUYALKCCO-IMJJTQAJSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1)C(C)C ZINC000037771437 487879689 /nfs/dbraw/zinc/87/96/89/487879689.db2.gz RZMXBFCSBSSAHV-WFASDCNBSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)C(C)C ZINC000037771438 487879456 /nfs/dbraw/zinc/87/94/56/487879456.db2.gz RZMXBFCSBSSAHV-SWLSCSKDSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)C(C)C ZINC000037771439 171545358 /nfs/dbraw/zinc/54/53/58/171545358.db2.gz RZMXBFCSBSSAHV-DOMZBBRYSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)C(C)C ZINC000037771440 170912322 /nfs/dbraw/zinc/91/23/22/170912322.db2.gz RZMXBFCSBSSAHV-IUODEOHRSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771625 170792123 /nfs/dbraw/zinc/79/21/23/170792123.db2.gz UDHVKVMRIBFAFZ-AGIUHOORSA-N 1 0 235.371 3.780 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037775903 167384124 /nfs/dbraw/zinc/38/41/24/167384124.db2.gz DPMGYBNUVYZLEG-WDEREUQCSA-N 1 0 241.325 3.530 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037775905 167386349 /nfs/dbraw/zinc/38/63/49/167386349.db2.gz DPMGYBNUVYZLEG-GHMZBOCLSA-N 1 0 241.325 3.530 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037775906 188288079 /nfs/dbraw/zinc/28/80/79/188288079.db2.gz DPMGYBNUVYZLEG-MNOVXSKESA-N 1 0 241.325 3.530 10 0 BHAERO CCC(CC)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037775931 168391893 /nfs/dbraw/zinc/39/18/93/168391893.db2.gz FONBCVQDDKQUFM-JTQLQIEISA-N 1 0 241.325 3.674 10 0 BHAERO CCC(CC)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037775932 168392269 /nfs/dbraw/zinc/39/22/69/168392269.db2.gz FONBCVQDDKQUFM-SNVBAGLBSA-N 1 0 241.325 3.674 10 0 BHAERO CCC[C@@H](C)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037776031 169370620 /nfs/dbraw/zinc/37/06/20/169370620.db2.gz YJURNNRLTLRGJD-MNOVXSKESA-N 1 0 241.325 3.674 10 0 BHAERO CCC[C@@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776033 169371438 /nfs/dbraw/zinc/37/14/38/169371438.db2.gz YJURNNRLTLRGJD-GHMZBOCLSA-N 1 0 241.325 3.674 10 0 BHAERO CC[C@@H](C)C[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037776123 170707781 /nfs/dbraw/zinc/70/77/81/170707781.db2.gz KBXQXSSOYHKATD-MNOVXSKESA-N 1 0 241.325 3.532 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037776124 171286280 /nfs/dbraw/zinc/28/62/80/171286280.db2.gz KBXQXSSOYHKATD-QWRGUYRKSA-N 1 0 241.325 3.532 10 0 BHAERO CC[C@@H](C)C[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776125 170709084 /nfs/dbraw/zinc/70/90/84/170709084.db2.gz KBXQXSSOYHKATD-GHMZBOCLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[C@H](C)C[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776126 171287423 /nfs/dbraw/zinc/28/74/23/171287423.db2.gz KBXQXSSOYHKATD-WDEREUQCSA-N 1 0 241.325 3.532 10 0 BHAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037776963 179288320 /nfs/dbraw/zinc/28/83/20/179288320.db2.gz QLMVVBJXASBPFP-LSDHHAIUSA-N 1 0 233.399 3.950 10 0 BHAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037776964 179290834 /nfs/dbraw/zinc/29/08/34/179290834.db2.gz QLMVVBJXASBPFP-GJZGRUSLSA-N 1 0 233.399 3.950 10 0 BHAERO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037776965 179288871 /nfs/dbraw/zinc/28/88/71/179288871.db2.gz QLMVVBJXASBPFP-HUUCEWRRSA-N 1 0 233.399 3.950 10 0 BHAERO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037776966 179290559 /nfs/dbraw/zinc/29/05/59/179290559.db2.gz QLMVVBJXASBPFP-CABCVRRESA-N 1 0 233.399 3.950 10 0 BHAERO CCC(CC)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777051 168363777 /nfs/dbraw/zinc/36/37/77/168363777.db2.gz CKKRTKREGJLVRI-AWEZNQCLSA-N 1 0 233.399 3.952 10 0 BHAERO CCC(CC)C[NH2+][C@H](C)Cc1ccccc1C ZINC000037777052 168362859 /nfs/dbraw/zinc/36/28/59/168362859.db2.gz CKKRTKREGJLVRI-CQSZACIVSA-N 1 0 233.399 3.952 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)C(C)C ZINC000037777135 171536984 /nfs/dbraw/zinc/53/69/84/171536984.db2.gz XXCYIBRUJITODD-HOCLYGCPSA-N 1 0 233.399 3.950 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)C(C)C ZINC000037777136 170908462 /nfs/dbraw/zinc/90/84/62/170908462.db2.gz XXCYIBRUJITODD-GOEBONIOSA-N 1 0 233.399 3.950 10 0 BHAERO CC[C@H]([NH2+][C@H](C)Cc1ccccc1C)C(C)C ZINC000037777137 171545158 /nfs/dbraw/zinc/54/51/58/171545158.db2.gz XXCYIBRUJITODD-ZBFHGGJFSA-N 1 0 233.399 3.950 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777295 169360102 /nfs/dbraw/zinc/36/01/02/169360102.db2.gz BLFYBYLIPXKDCP-HIFRSBDPSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777296 169482455 /nfs/dbraw/zinc/48/24/55/169482455.db2.gz BLFYBYLIPXKDCP-ZFWWWQNUSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000037777297 169361002 /nfs/dbraw/zinc/36/10/02/169361002.db2.gz BLFYBYLIPXKDCP-UKRRQHHQSA-N 1 0 233.399 3.952 10 0 BHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777307 170773702 /nfs/dbraw/zinc/77/37/02/170773702.db2.gz JJUBWKSILLUXNB-VHDGCEQUSA-N 1 0 233.399 3.950 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777308 171366943 /nfs/dbraw/zinc/36/69/43/171366943.db2.gz JJUBWKSILLUXNB-AEGPPILISA-N 1 0 233.399 3.950 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777310 171390761 /nfs/dbraw/zinc/39/07/61/171390761.db2.gz JJUBWKSILLUXNB-QEJZJMRPSA-N 1 0 233.399 3.950 10 0 BHAERO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000037777325 179288617 /nfs/dbraw/zinc/28/86/17/179288617.db2.gz XACQYCPHRGTZIW-CVEARBPZSA-N 1 0 243.394 3.872 10 0 BHAERO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000037777326 179290648 /nfs/dbraw/zinc/29/06/48/179290648.db2.gz XACQYCPHRGTZIW-HOTGVXAUSA-N 1 0 243.394 3.872 10 0 BHAERO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000037777327 179288963 /nfs/dbraw/zinc/28/89/63/179288963.db2.gz XACQYCPHRGTZIW-HZPDHXFCSA-N 1 0 243.394 3.872 10 0 BHAERO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000037777328 179290801 /nfs/dbraw/zinc/29/08/01/179290801.db2.gz XACQYCPHRGTZIW-JKSUJKDBSA-N 1 0 243.394 3.872 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000037778561 168990515 /nfs/dbraw/zinc/99/05/15/168990515.db2.gz PBMZIYIIXWPSNY-UONOGXRCSA-N 1 0 249.398 3.795 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1OC)C(C)C ZINC000037778563 170908489 /nfs/dbraw/zinc/90/84/89/170908489.db2.gz GEHRFFVUVNNXAQ-DZGCQCFKSA-N 1 0 249.398 3.650 10 0 BHAERO CCCCC[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903294 343749795 /nfs/dbraw/zinc/74/97/95/343749795.db2.gz MBZYXULOSQXZIP-LBPRGKRZSA-N 1 0 243.297 3.554 10 0 BHAERO CCCCC[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903295 343749850 /nfs/dbraw/zinc/74/98/50/343749850.db2.gz MBZYXULOSQXZIP-GFCCVEGCSA-N 1 0 243.297 3.554 10 0 BHAERO CC(C)CCCCCC[NH2+][C@@H](C)c1cc[nH]n1 ZINC000037906965 166800915 /nfs/dbraw/zinc/80/09/15/166800915.db2.gz BKKXLHJFEIDTOI-ZDUSSCGKSA-N 1 0 237.391 3.667 10 0 BHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)c1cc[nH]n1 ZINC000037907655 167482676 /nfs/dbraw/zinc/48/26/76/167482676.db2.gz UIHRQWFZBMASIY-QVHKTLOISA-N 1 0 249.402 3.521 10 0 BHAERO CCC[C@H]([NH2+][C@H](C)c1cc[nH]n1)c1ccccc1 ZINC000037907765 169513773 /nfs/dbraw/zinc/51/37/73/169513773.db2.gz ZMAXSOILECJRCI-DOMZBBRYSA-N 1 0 243.354 3.602 10 0 BHAERO CC(C)[C@H]([NH2+][C@H](C)c1cc[nH]n1)c1cccs1 ZINC000037907815 188289169 /nfs/dbraw/zinc/28/91/69/188289169.db2.gz NJTFLRJJEXVHCU-MFKMUULPSA-N 1 0 249.383 3.519 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1N1CCC[C@@H]1C ZINC000037911152 169276484 /nfs/dbraw/zinc/27/64/84/169276484.db2.gz QKGOCWYAKIFPGU-KBPBESRZSA-N 1 0 246.398 3.736 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1N1CCC[C@@H]1C ZINC000037911153 169286909 /nfs/dbraw/zinc/28/69/09/169286909.db2.gz QKGOCWYAKIFPGU-UONOGXRCSA-N 1 0 246.398 3.736 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N1CCC[C@H]1CC ZINC000037914140 170160260 /nfs/dbraw/zinc/16/02/60/170160260.db2.gz OKGJYKWGFSXARY-ZIAGYGMSSA-N 1 0 246.398 3.736 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N1CCC[C@@H]1CC ZINC000037914141 170159689 /nfs/dbraw/zinc/15/96/89/170159689.db2.gz OKGJYKWGFSXARY-KGLIPLIRSA-N 1 0 246.398 3.736 10 0 BHAERO CCC[NH2+]Cc1ccccc1N1CCC[C@@H]1CC ZINC000037914679 169267841 /nfs/dbraw/zinc/26/78/41/169267841.db2.gz WUFFHCZRSIYRLE-HNNXBMFYSA-N 1 0 246.398 3.565 10 0 BHAERO CCC[NH2+]Cc1ccccc1N1CCC[C@H]1CC ZINC000037914680 169267606 /nfs/dbraw/zinc/26/76/06/169267606.db2.gz WUFFHCZRSIYRLE-OAHLLOKOSA-N 1 0 246.398 3.565 10 0 BHAERO CC(C)(C)[NH2+]CCc1ccc2ccccc2c1 ZINC000037927188 166632377 /nfs/dbraw/zinc/63/23/77/166632377.db2.gz WAGYAUOUTAPZFW-UHFFFAOYSA-N 1 0 227.351 3.770 10 0 BHAERO c1cc(C[NH2+]C2CCCCC2)cc2c1CCC2 ZINC000037927364 183367466 /nfs/dbraw/zinc/36/74/66/183367466.db2.gz LAFJHXHIEVGAGO-UHFFFAOYSA-N 1 0 229.367 3.598 10 0 BHAERO CC[C@H](C)[C@@H](C[NH2+]CC1CC1)c1ccccc1 ZINC000037927767 171368842 /nfs/dbraw/zinc/36/88/42/171368842.db2.gz HNMVSFHWFYFPAM-XJKSGUPXSA-N 1 0 231.383 3.816 10 0 BHAERO CC[C@H](C)[C@H](C[NH2+]CC1CC1)c1ccccc1 ZINC000037927769 171392356 /nfs/dbraw/zinc/39/23/56/171392356.db2.gz HNMVSFHWFYFPAM-BBRMVZONSA-N 1 0 231.383 3.816 10 0 BHAERO CCC(CC)(C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000037934522 168324673 /nfs/dbraw/zinc/32/46/73/168324673.db2.gz JCDRXZOBMDPHER-UHFFFAOYSA-N 1 0 245.288 3.722 10 0 BHAERO CCC(CC)(C[NH3+])c1ccc(OCC(C)C)cc1 ZINC000037934535 168324678 /nfs/dbraw/zinc/32/46/78/168324678.db2.gz XFZYGRJYSGQODR-UHFFFAOYSA-N 1 0 249.398 3.738 10 0 BHAERO CCCC([NH3+])(CCC)c1ccc(OCC)cc1 ZINC000037934581 168584320 /nfs/dbraw/zinc/58/43/20/168584320.db2.gz PXPMXCCXICSPNZ-UHFFFAOYSA-N 1 0 235.371 3.840 10 0 BHAERO CCC[C@@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000037934813 169359047 /nfs/dbraw/zinc/35/90/47/169359047.db2.gz ARWLRMLSSQISEM-CQSZACIVSA-N 1 0 233.399 3.990 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934820 171364928 /nfs/dbraw/zinc/36/49/28/171364928.db2.gz JKZFWSBNHNDTNW-UONOGXRCSA-N 1 0 233.399 3.988 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934822 171389015 /nfs/dbraw/zinc/38/90/15/171389015.db2.gz JKZFWSBNHNDTNW-KBPBESRZSA-N 1 0 233.399 3.988 10 0 BHAERO Cc1cccc(NCC(C)(C)c2ccccc2)[nH+]1 ZINC000037935107 179144125 /nfs/dbraw/zinc/14/41/25/179144125.db2.gz DXNYPNAWXIHRBI-UHFFFAOYSA-N 1 0 240.350 3.780 10 0 BHAERO C[C@@H]([NH3+])[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000037947434 350292569 /nfs/dbraw/zinc/29/25/69/350292569.db2.gz FVSXGJUDBLNMFS-JGVFFNPUSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@@H]([NH3+])[C@H](C)Cc1c(Cl)cccc1Cl ZINC000037947435 350292960 /nfs/dbraw/zinc/29/29/60/350292960.db2.gz FVSXGJUDBLNMFS-HTQZYQBOSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H]([NH3+])[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000037947436 350292465 /nfs/dbraw/zinc/29/24/65/350292465.db2.gz FVSXGJUDBLNMFS-YUMQZZPRSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H](Cc1c(Cl)cccc1Cl)[C@H](C)[NH3+] ZINC000037947437 350292688 /nfs/dbraw/zinc/29/26/88/350292688.db2.gz FVSXGJUDBLNMFS-SFYZADRCSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000037947474 350292798 /nfs/dbraw/zinc/29/27/98/350292798.db2.gz GGQMHSQGKBGSGG-JGVFFNPUSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000037947475 386105571 /nfs/dbraw/zinc/10/55/71/386105571.db2.gz GGQMHSQGKBGSGG-HTQZYQBOSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H]([NH3+])[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000037947476 350292426 /nfs/dbraw/zinc/29/24/26/350292426.db2.gz GGQMHSQGKBGSGG-YUMQZZPRSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H](Cc1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000037947477 176770332 /nfs/dbraw/zinc/77/03/32/176770332.db2.gz GGQMHSQGKBGSGG-SFYZADRCSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000037947518 175770726 /nfs/dbraw/zinc/77/07/26/175770726.db2.gz DABJHAZSVOIKBC-JGVFFNPUSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000037947519 386104979 /nfs/dbraw/zinc/10/49/79/386104979.db2.gz DABJHAZSVOIKBC-HTQZYQBOSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H]([NH3+])[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000037947520 350292742 /nfs/dbraw/zinc/29/27/42/350292742.db2.gz DABJHAZSVOIKBC-YUMQZZPRSA-N 1 0 232.154 3.519 10 0 BHAERO C[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000037947521 176770615 /nfs/dbraw/zinc/77/06/15/176770615.db2.gz DABJHAZSVOIKBC-SFYZADRCSA-N 1 0 232.154 3.519 10 0 BHAERO C[NH2+][C@@H](CCc1ccccc1F)c1ccccc1 ZINC000037947939 173423071 /nfs/dbraw/zinc/42/30/71/173423071.db2.gz PFAJDRHDMBBTOE-INIZCTEOSA-N 1 0 243.325 3.719 10 0 BHAERO C[NH2+][C@H](CCc1ccccc1F)c1ccccc1 ZINC000037947940 173452942 /nfs/dbraw/zinc/45/29/42/173452942.db2.gz PFAJDRHDMBBTOE-MRXNPFEDSA-N 1 0 243.325 3.719 10 0 BHAERO C[NH2+][C@H](CCc1ccc(C)cc1)c1ccccc1 ZINC000037947978 173451624 /nfs/dbraw/zinc/45/16/24/173451624.db2.gz QBCSHOACOBRTRX-QGZVFWFLSA-N 1 0 239.362 3.888 10 0 BHAERO C[NH2+][C@H](CCc1ccc(F)cc1)c1ccccc1 ZINC000037947980 173451958 /nfs/dbraw/zinc/45/19/58/173451958.db2.gz TYGLOZOKXRKDPT-MRXNPFEDSA-N 1 0 243.325 3.719 10 0 BHAERO C[NH2+][C@H](CCc1cccc(C)c1)c1ccccc1 ZINC000037947982 173452159 /nfs/dbraw/zinc/45/21/59/173452159.db2.gz POEMMESWHFNUAW-QGZVFWFLSA-N 1 0 239.362 3.888 10 0 BHAERO C[NH2+][C@H](CCc1ccccc1C)c1ccccc1 ZINC000037947984 173452716 /nfs/dbraw/zinc/45/27/16/173452716.db2.gz ACMLRVIFXQFIST-QGZVFWFLSA-N 1 0 239.362 3.888 10 0 BHAERO CCC[NH2+][C@@H](CCC)CCc1ccccc1F ZINC000037948321 169278030 /nfs/dbraw/zinc/27/80/30/169278030.db2.gz WOUFNRFTCWTLRU-AWEZNQCLSA-N 1 0 237.362 3.927 10 0 BHAERO CCC[NH2+][C@H](CCC)CCc1ccccc1F ZINC000037948322 169289468 /nfs/dbraw/zinc/28/94/68/169289468.db2.gz WOUFNRFTCWTLRU-CQSZACIVSA-N 1 0 237.362 3.927 10 0 BHAERO CCC[NH2+][C@@H](CCC)CCc1ccc(F)cc1 ZINC000037948343 169278540 /nfs/dbraw/zinc/27/85/40/169278540.db2.gz OTZHBXYNPAETAR-HNNXBMFYSA-N 1 0 237.362 3.927 10 0 BHAERO CCC[NH2+][C@H](CCC)CCc1ccc(F)cc1 ZINC000037948344 169289226 /nfs/dbraw/zinc/28/92/26/169289226.db2.gz OTZHBXYNPAETAR-OAHLLOKOSA-N 1 0 237.362 3.927 10 0 BHAERO CC[NH2+][C@@H](CCc1ccccc1F)C(C)(C)C ZINC000037948469 170144998 /nfs/dbraw/zinc/14/49/98/170144998.db2.gz VFMWDXVEEOFWSC-AWEZNQCLSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@H](CCc1ccccc1F)C(C)(C)C ZINC000037948470 170162184 /nfs/dbraw/zinc/16/21/84/170162184.db2.gz VFMWDXVEEOFWSC-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@@H](CCc1cccc(OC)c1)C(C)(C)C ZINC000037948481 170144663 /nfs/dbraw/zinc/14/46/63/170144663.db2.gz PYQMWCOOPWNXGR-HNNXBMFYSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@H](CCc1cccc(OC)c1)C(C)(C)C ZINC000037948482 170162543 /nfs/dbraw/zinc/16/25/43/170162543.db2.gz PYQMWCOOPWNXGR-OAHLLOKOSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](CCc1ccc(C)cc1)C(C)(C)C ZINC000037948503 170144865 /nfs/dbraw/zinc/14/48/65/170144865.db2.gz ZYKINDKZIRXLFD-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@H](CCc1ccc(C)cc1)C(C)(C)C ZINC000037948504 170162416 /nfs/dbraw/zinc/16/24/16/170162416.db2.gz ZYKINDKZIRXLFD-OAHLLOKOSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@@H](CCc1ccc(F)cc1)C(C)(C)C ZINC000037948505 170144812 /nfs/dbraw/zinc/14/48/12/170144812.db2.gz BGVJWFQQIREZSD-AWEZNQCLSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@H](CCc1ccc(F)cc1)C(C)(C)C ZINC000037948506 170162395 /nfs/dbraw/zinc/16/23/95/170162395.db2.gz BGVJWFQQIREZSD-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@@H](CCc1cccc(C)c1)C(C)(C)C ZINC000037948507 170145013 /nfs/dbraw/zinc/14/50/13/170145013.db2.gz WBKCINHHCPYTBR-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@H](CCc1cccc(C)c1)C(C)(C)C ZINC000037948508 170162700 /nfs/dbraw/zinc/16/27/00/170162700.db2.gz WBKCINHHCPYTBR-OAHLLOKOSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@@H](CCc1ccccc1C)C(C)(C)C ZINC000037948509 170144779 /nfs/dbraw/zinc/14/47/79/170144779.db2.gz ZLYVSGVORDRLLP-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@H](CCc1ccccc1C)C(C)(C)C ZINC000037948510 170162410 /nfs/dbraw/zinc/16/24/10/170162410.db2.gz ZLYVSGVORDRLLP-OAHLLOKOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](CC)CCc1cccc(F)c1F ZINC000037948873 169278279 /nfs/dbraw/zinc/27/82/79/169278279.db2.gz VGCNANLMPZIYSJ-LBPRGKRZSA-N 1 0 241.325 3.676 10 0 BHAERO CCC[NH2+][C@H](CC)CCc1cccc(F)c1F ZINC000037948874 169288142 /nfs/dbraw/zinc/28/81/42/169288142.db2.gz VGCNANLMPZIYSJ-GFCCVEGCSA-N 1 0 241.325 3.676 10 0 BHAERO CC[NH2+][C@@H](CCc1cccc(F)c1F)C(C)C ZINC000037949077 170144768 /nfs/dbraw/zinc/14/47/68/170144768.db2.gz VGTMQBYNUJFGPQ-ZDUSSCGKSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](CCc1cccc(F)c1F)C(C)C ZINC000037949078 170162668 /nfs/dbraw/zinc/16/26/68/170162668.db2.gz VGTMQBYNUJFGPQ-CYBMUJFWSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@@H](CCc1ccccc1F)C(C)C ZINC000037949099 169279004 /nfs/dbraw/zinc/27/90/04/169279004.db2.gz KGEMXLIBQDLDMW-HNNXBMFYSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](CCc1ccccc1F)C(C)C ZINC000037949100 169289423 /nfs/dbraw/zinc/28/94/23/169289423.db2.gz KGEMXLIBQDLDMW-OAHLLOKOSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](CCc1cccc(OC)c1)C(C)C ZINC000037949109 169278887 /nfs/dbraw/zinc/27/88/87/169278887.db2.gz AQTDPHAGNTWMMT-INIZCTEOSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](CCc1cccc(OC)c1)C(C)C ZINC000037949110 169289041 /nfs/dbraw/zinc/28/90/41/169289041.db2.gz AQTDPHAGNTWMMT-MRXNPFEDSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@@H](CCc1cccc(F)c1)C(C)C ZINC000037949127 169279327 /nfs/dbraw/zinc/27/93/27/169279327.db2.gz SKGPJEXVBXWGAJ-HNNXBMFYSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](CCc1cccc(F)c1)C(C)C ZINC000037949128 169288991 /nfs/dbraw/zinc/28/89/91/169288991.db2.gz SKGPJEXVBXWGAJ-OAHLLOKOSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](CCc1ccc(C)cc1)C(C)C ZINC000037949129 169279424 /nfs/dbraw/zinc/27/94/24/169279424.db2.gz KAPNTZRGCSMKAZ-INIZCTEOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](CCc1ccc(C)cc1)C(C)C ZINC000037949130 169288754 /nfs/dbraw/zinc/28/87/54/169288754.db2.gz KAPNTZRGCSMKAZ-MRXNPFEDSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](CCc1ccc(F)cc1)C(C)C ZINC000037949131 169279515 /nfs/dbraw/zinc/27/95/15/169279515.db2.gz XPUJJZRTWWJHEU-HNNXBMFYSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](CCc1ccc(F)cc1)C(C)C ZINC000037949132 169289477 /nfs/dbraw/zinc/28/94/77/169289477.db2.gz XPUJJZRTWWJHEU-OAHLLOKOSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](CCc1cccc(C)c1)C(C)C ZINC000037949133 169279216 /nfs/dbraw/zinc/27/92/16/169279216.db2.gz HOJVZCCPLAMTAS-INIZCTEOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](CCc1cccc(C)c1)C(C)C ZINC000037949134 169289162 /nfs/dbraw/zinc/28/91/62/169289162.db2.gz HOJVZCCPLAMTAS-MRXNPFEDSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](CCc1ccccc1C)C(C)C ZINC000037949135 169279108 /nfs/dbraw/zinc/27/91/08/169279108.db2.gz TWGBBBDOIVLZCR-INIZCTEOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](CCc1ccccc1C)C(C)C ZINC000037949136 169288797 /nfs/dbraw/zinc/28/87/97/169288797.db2.gz TWGBBBDOIVLZCR-MRXNPFEDSA-N 1 0 233.399 3.952 10 0 BHAERO C[NH2+][C@H](C)[C@@H](C)Cc1cccc2ccccc21 ZINC000037949183 173447547 /nfs/dbraw/zinc/44/75/47/173447547.db2.gz HVYMURRPOFHEIJ-QWHCGFSZSA-N 1 0 227.351 3.626 10 0 BHAERO C[NH2+][C@@H](C)[C@H](C)Cc1cccc2ccccc21 ZINC000037949186 173417322 /nfs/dbraw/zinc/41/73/22/173417322.db2.gz HVYMURRPOFHEIJ-OLZOCXBDSA-N 1 0 227.351 3.626 10 0 BHAERO C[NH2+][C@H](C)[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000037949248 173448011 /nfs/dbraw/zinc/44/80/11/173448011.db2.gz AKMLITDZHCIFGD-CHWSQXEVSA-N 1 0 233.399 3.771 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000037949519 170140479 /nfs/dbraw/zinc/14/04/79/170140479.db2.gz UAIGGPGFERZYDJ-KBPBESRZSA-N 1 0 233.399 3.987 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000037949520 170158428 /nfs/dbraw/zinc/15/84/28/170158428.db2.gz UAIGGPGFERZYDJ-UONOGXRCSA-N 1 0 233.399 3.987 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000037949521 170140993 /nfs/dbraw/zinc/14/09/93/170140993.db2.gz UAIGGPGFERZYDJ-KGLIPLIRSA-N 1 0 233.399 3.987 10 0 BHAERO CC[NH2+][C@H](C)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000037949522 170158431 /nfs/dbraw/zinc/15/84/31/170158431.db2.gz UAIGGPGFERZYDJ-ZIAGYGMSSA-N 1 0 233.399 3.987 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cccc(F)c1F ZINC000037949735 169276460 /nfs/dbraw/zinc/27/64/60/169276460.db2.gz PLTLTWDYZBKQOR-QWRGUYRKSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cccc(F)c1F ZINC000037949736 169286228 /nfs/dbraw/zinc/28/62/28/169286228.db2.gz PLTLTWDYZBKQOR-WDEREUQCSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cccc(F)c1F ZINC000037949737 169275978 /nfs/dbraw/zinc/27/59/78/169275978.db2.gz PLTLTWDYZBKQOR-MNOVXSKESA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cccc(F)c1F ZINC000037949738 169286484 /nfs/dbraw/zinc/28/64/84/169286484.db2.gz PLTLTWDYZBKQOR-GHMZBOCLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+]Cc1sc2ccccc2c1Cl ZINC000037977135 170133154 /nfs/dbraw/zinc/13/31/54/170133154.db2.gz AOHWPCZZNJZGCE-UHFFFAOYSA-N 1 0 225.744 3.664 10 0 BHAERO CCC(C)(C)[NH2+]Cc1nc2ccccc2s1 ZINC000037977690 168299546 /nfs/dbraw/zinc/29/95/46/168299546.db2.gz FJVCLRJDDLHZJD-UHFFFAOYSA-N 1 0 234.368 3.575 10 0 BHAERO CC(C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000037984995 166815963 /nfs/dbraw/zinc/81/59/63/166815963.db2.gz YOVMQGLHYOQWPD-UHFFFAOYSA-N 1 0 225.763 3.866 10 0 BHAERO CCCC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000037988900 398335618 /nfs/dbraw/zinc/33/56/18/398335618.db2.gz AHCRNNDGCMRFDO-NRXISQOPSA-N 1 0 239.403 3.504 10 0 BHAERO CCCC1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000037988901 398335541 /nfs/dbraw/zinc/33/55/41/398335541.db2.gz AHCRNNDGCMRFDO-YMAMQOFZSA-N 1 0 239.403 3.504 10 0 BHAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000037992430 181624995 /nfs/dbraw/zinc/62/49/95/181624995.db2.gz BQVLCVOACDZDTL-CQSZACIVSA-N 1 0 249.716 3.722 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccc1F)CC(C)C ZINC000037992838 169279778 /nfs/dbraw/zinc/27/97/78/169279778.db2.gz PMLDERVZSWIVSK-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccc1F)CC(C)C ZINC000037992839 169290180 /nfs/dbraw/zinc/29/01/80/169290180.db2.gz PMLDERVZSWIVSK-AWEZNQCLSA-N 1 0 237.362 3.783 10 0 BHAERO C[NH2+][C@H](Cc1ccc(C)cc1)C1CCCCC1 ZINC000037992908 173453448 /nfs/dbraw/zinc/45/34/48/173453448.db2.gz HTVUVHFUALERPR-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1F)C1CCCCC1 ZINC000037992917 170146083 /nfs/dbraw/zinc/14/60/83/170146083.db2.gz UNKZBEVFDCEKEN-INIZCTEOSA-N 1 0 249.373 3.927 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1F)C1CCCCC1 ZINC000037992918 170163319 /nfs/dbraw/zinc/16/33/19/170163319.db2.gz UNKZBEVFDCEKEN-MRXNPFEDSA-N 1 0 249.373 3.927 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)(C)C ZINC000037993035 169279268 /nfs/dbraw/zinc/27/92/68/169279268.db2.gz ZSBYAXREDLHQAC-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)C(C)(C)C ZINC000037993036 169289713 /nfs/dbraw/zinc/28/97/13/169289713.db2.gz ZSBYAXREDLHQAC-OAHLLOKOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)C(C)(C)C ZINC000037993041 169279576 /nfs/dbraw/zinc/27/95/76/169279576.db2.gz ABUBGLKTGWFZQB-AWEZNQCLSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](Cc1cccc(F)c1)C(C)(C)C ZINC000037993042 169289760 /nfs/dbraw/zinc/28/97/60/169289760.db2.gz ABUBGLKTGWFZQB-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO Cc1cc(C)cc([C@@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000037996299 177916436 /nfs/dbraw/zinc/91/64/36/177916436.db2.gz GRVFWQYAPDZNFI-INIZCTEOSA-N 1 0 243.325 3.685 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CCCC1 ZINC000037996367 170146471 /nfs/dbraw/zinc/14/64/71/170146471.db2.gz AAJGDKKJLFKMBR-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)cc1)C1CCCC1 ZINC000037996368 170162501 /nfs/dbraw/zinc/16/25/01/170162501.db2.gz AAJGDKKJLFKMBR-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1F)C1CCCC1 ZINC000037996369 170145874 /nfs/dbraw/zinc/14/58/74/170145874.db2.gz GGVGYTLYMJUWNP-HNNXBMFYSA-N 1 0 235.346 3.537 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1F)C1CCCC1 ZINC000037996370 170163331 /nfs/dbraw/zinc/16/33/31/170163331.db2.gz GGVGYTLYMJUWNP-OAHLLOKOSA-N 1 0 235.346 3.537 10 0 BHAERO CC[NH2+][C@@H](C)CCc1c(Cl)cccc1Cl ZINC000038001045 170138630 /nfs/dbraw/zinc/13/86/30/170138630.db2.gz DDRLBXLLMBNIJN-VIFPVBQESA-N 1 0 246.181 3.924 10 0 BHAERO CC[NH2+][C@H](C)CCc1c(Cl)cccc1Cl ZINC000038001046 170157272 /nfs/dbraw/zinc/15/72/72/170157272.db2.gz DDRLBXLLMBNIJN-SECBINFHSA-N 1 0 246.181 3.924 10 0 BHAERO CC[NH2+][C@@H](C)CCc1cccc2ccccc21 ZINC000038001049 170139561 /nfs/dbraw/zinc/13/95/61/170139561.db2.gz RGLGHGPWAFDZKR-ZDUSSCGKSA-N 1 0 227.351 3.770 10 0 BHAERO CC[NH2+][C@H](C)CCc1cccc2ccccc21 ZINC000038001050 170156842 /nfs/dbraw/zinc/15/68/42/170156842.db2.gz RGLGHGPWAFDZKR-CYBMUJFWSA-N 1 0 227.351 3.770 10 0 BHAERO CC[NH2+][C@@H](C)CCc1ccc(Cl)cc1Cl ZINC000038001061 170139129 /nfs/dbraw/zinc/13/91/29/170139129.db2.gz ZOZFENIFICKRDZ-VIFPVBQESA-N 1 0 246.181 3.924 10 0 BHAERO CC[NH2+][C@H](C)CCc1ccc(Cl)cc1Cl ZINC000038001062 170156834 /nfs/dbraw/zinc/15/68/34/170156834.db2.gz ZOZFENIFICKRDZ-SECBINFHSA-N 1 0 246.181 3.924 10 0 BHAERO CC[NH2+][C@@H](C)CCc1ccc(C(C)(C)C)cc1 ZINC000038001077 170139202 /nfs/dbraw/zinc/13/92/02/170139202.db2.gz HTZSUUUMTCQQOR-ZDUSSCGKSA-N 1 0 233.399 3.915 10 0 BHAERO CC[NH2+][C@H](C)CCc1ccc(C(C)(C)C)cc1 ZINC000038001078 170157003 /nfs/dbraw/zinc/15/70/03/170157003.db2.gz HTZSUUUMTCQQOR-CYBMUJFWSA-N 1 0 233.399 3.915 10 0 BHAERO CC[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC000038001083 170139461 /nfs/dbraw/zinc/13/94/61/170139461.db2.gz DZNSKIDHKRNIQE-VIFPVBQESA-N 1 0 246.181 3.924 10 0 BHAERO CC[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC000038001084 170156895 /nfs/dbraw/zinc/15/68/95/170156895.db2.gz DZNSKIDHKRNIQE-SECBINFHSA-N 1 0 246.181 3.924 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1ccc(Cl)cc1 ZINC000038001095 169275178 /nfs/dbraw/zinc/27/51/78/169275178.db2.gz UBOJAVAIBGLQDR-NSHDSACASA-N 1 0 225.763 3.661 10 0 BHAERO CCC[NH2+][C@H](C)CCc1ccc(Cl)cc1 ZINC000038001096 169285953 /nfs/dbraw/zinc/28/59/53/169285953.db2.gz UBOJAVAIBGLQDR-LLVKDONJSA-N 1 0 225.763 3.661 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1cccc(Cl)c1 ZINC000038001097 169274130 /nfs/dbraw/zinc/27/41/30/169274130.db2.gz JQRBQPOYNXRTPK-NSHDSACASA-N 1 0 225.763 3.661 10 0 BHAERO CCC[NH2+][C@H](C)CCc1cccc(Cl)c1 ZINC000038001098 169285869 /nfs/dbraw/zinc/28/58/69/169285869.db2.gz JQRBQPOYNXRTPK-LLVKDONJSA-N 1 0 225.763 3.661 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1ccc(F)cc1Cl ZINC000038001103 169274314 /nfs/dbraw/zinc/27/43/14/169274314.db2.gz KTCGKMBOMGTNPJ-JTQLQIEISA-N 1 0 243.753 3.800 10 0 BHAERO CCC[NH2+][C@H](C)CCc1ccc(F)cc1Cl ZINC000038001104 169286198 /nfs/dbraw/zinc/28/61/98/169286198.db2.gz KTCGKMBOMGTNPJ-SNVBAGLBSA-N 1 0 243.753 3.800 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1ccc(CC)s1 ZINC000038001115 169275097 /nfs/dbraw/zinc/27/50/97/169275097.db2.gz MGPVIAIHVVMVSS-NSHDSACASA-N 1 0 225.401 3.631 10 0 BHAERO CCC[NH2+][C@H](C)CCc1ccc(CC)s1 ZINC000038001116 169285965 /nfs/dbraw/zinc/28/59/65/169285965.db2.gz MGPVIAIHVVMVSS-LLVKDONJSA-N 1 0 225.401 3.631 10 0 BHAERO CCC[C@@H](CCc1ccccc1Cl)[NH2+]C ZINC000038001173 169382841 /nfs/dbraw/zinc/38/28/41/169382841.db2.gz WGMZKGHWBOHOOD-LBPRGKRZSA-N 1 0 225.763 3.661 10 0 BHAERO CCC[C@@H](CCc1ccc(F)cc1Cl)[NH2+]C ZINC000038001175 169382598 /nfs/dbraw/zinc/38/25/98/169382598.db2.gz ZHCPAIFTWJKHMR-LBPRGKRZSA-N 1 0 243.753 3.800 10 0 BHAERO CCC[C@@H](CCc1ccc(Cl)s1)[NH2+]C ZINC000038001181 169382656 /nfs/dbraw/zinc/38/26/56/169382656.db2.gz XXGZYNJMNGWTIJ-VIFPVBQESA-N 1 0 231.792 3.722 10 0 BHAERO CCC[C@H](CCc1ccc(Cl)s1)[NH2+]C ZINC000038001182 169498080 /nfs/dbraw/zinc/49/80/80/169498080.db2.gz XXGZYNJMNGWTIJ-SECBINFHSA-N 1 0 231.792 3.722 10 0 BHAERO CCC[C@@H](CCc1ccc(CC)s1)[NH2+]C ZINC000038001183 169382793 /nfs/dbraw/zinc/38/27/93/169382793.db2.gz MUFXLHBFTSMQMP-NSHDSACASA-N 1 0 225.401 3.631 10 0 BHAERO CCC[NH2+][C@@H](CCC)CCc1cccc(F)c1 ZINC000038001221 169277827 /nfs/dbraw/zinc/27/78/27/169277827.db2.gz IJOPIELLCAKZJG-HNNXBMFYSA-N 1 0 237.362 3.927 10 0 BHAERO CCC[NH2+][C@H](CCC)CCc1cccc(F)c1 ZINC000038001222 169288807 /nfs/dbraw/zinc/28/88/07/169288807.db2.gz IJOPIELLCAKZJG-OAHLLOKOSA-N 1 0 237.362 3.927 10 0 BHAERO CC[C@@H](Cc1ccc(C(C)C)cc1)[C@H](C)[NH3+] ZINC000038004254 170855361 /nfs/dbraw/zinc/85/53/61/170855361.db2.gz MDSMNXDDZUGHGS-JSGCOSHPSA-N 1 0 219.372 3.726 10 0 BHAERO CC[C@@H](Cc1c(Cl)cccc1Cl)[C@@H](C)[NH3+] ZINC000038004382 170855223 /nfs/dbraw/zinc/85/52/23/170855223.db2.gz MRAIDRFZFVSAAC-BDAKNGLRSA-N 1 0 246.181 3.909 10 0 BHAERO CC[C@@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)[NH3+] ZINC000038004386 170855229 /nfs/dbraw/zinc/85/52/29/170855229.db2.gz DTUUEQHOWGQMQH-KOLCDFICSA-N 1 0 245.288 3.621 10 0 BHAERO CC[C@H](Cc1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000038004429 171469575 /nfs/dbraw/zinc/46/95/75/171469575.db2.gz JJFMXFYMLGDXIA-DTWKUNHWSA-N 1 0 246.181 3.909 10 0 BHAERO CC[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)[NH3+] ZINC000038004463 171469463 /nfs/dbraw/zinc/46/94/63/171469463.db2.gz MTWLUMZVGVGPDI-TZMCWYRMSA-N 1 0 233.399 3.900 10 0 BHAERO CC[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)[NH3+] ZINC000038004471 171469793 /nfs/dbraw/zinc/46/97/93/171469793.db2.gz IRMHUPQTEUVVHS-PSASIEDQSA-N 1 0 246.181 3.909 10 0 BHAERO CC[C@@H](Cc1ccc(C(C)C)cc1)[C@H](C)[NH2+]C ZINC000038004480 170855306 /nfs/dbraw/zinc/85/53/06/170855306.db2.gz KSSFXIQRLTZZQL-ZFWWWQNUSA-N 1 0 233.399 3.987 10 0 BHAERO CC[C@@H](Cc1ccc(Cl)cc1)[C@@H](C)[NH2+]C ZINC000038004636 170855274 /nfs/dbraw/zinc/85/52/74/170855274.db2.gz VVFOTSKKCPWXMG-PWSUYJOCSA-N 1 0 225.763 3.517 10 0 BHAERO CC[C@H](Cc1ccc(Cl)cc1)[C@@H](C)[NH2+]C ZINC000038004637 171470221 /nfs/dbraw/zinc/47/02/21/171470221.db2.gz VVFOTSKKCPWXMG-ZYHUDNBSSA-N 1 0 225.763 3.517 10 0 BHAERO CC[C@@H](Cc1ccc(Cl)cc1)[C@H](C)[NH2+]C ZINC000038004638 170855217 /nfs/dbraw/zinc/85/52/17/170855217.db2.gz VVFOTSKKCPWXMG-JQWIXIFHSA-N 1 0 225.763 3.517 10 0 BHAERO CC[C@H](Cc1cccc(Cl)c1)[C@@H](C)[NH2+]C ZINC000038004641 171470107 /nfs/dbraw/zinc/47/01/07/171470107.db2.gz CFXWHNGKOJDTNI-ZYHUDNBSSA-N 1 0 225.763 3.517 10 0 BHAERO CC[C@@H](Cc1cccc(Cl)c1)[C@H](C)[NH2+]C ZINC000038004642 170855689 /nfs/dbraw/zinc/85/56/89/170855689.db2.gz CFXWHNGKOJDTNI-JQWIXIFHSA-N 1 0 225.763 3.517 10 0 BHAERO CC[C@@H](Cc1ccc(F)cc1Cl)[C@H](C)[NH2+]C ZINC000038004658 170855249 /nfs/dbraw/zinc/85/52/49/170855249.db2.gz VWSCSFUZAZBAES-UWVGGRQHSA-N 1 0 243.753 3.656 10 0 BHAERO CC[C@H](Cc1ccc(F)cc1Cl)[C@H](C)[NH2+]C ZINC000038004659 171470334 /nfs/dbraw/zinc/47/03/34/171470334.db2.gz VWSCSFUZAZBAES-VHSXEESVSA-N 1 0 243.753 3.656 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(F)c1F ZINC000038004732 170158727 /nfs/dbraw/zinc/15/87/27/170158727.db2.gz OGRYPTJESJVWAC-MNOVXSKESA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccc(F)c1F ZINC000038004733 170158253 /nfs/dbraw/zinc/15/82/53/170158253.db2.gz OGRYPTJESJVWAC-GHMZBOCLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(F)c1F ZINC000038004734 170141058 /nfs/dbraw/zinc/14/10/58/170141058.db2.gz OGRYPTJESJVWAC-QWRGUYRKSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(F)c1F ZINC000038004735 170141336 /nfs/dbraw/zinc/14/13/36/170141336.db2.gz OGRYPTJESJVWAC-WDEREUQCSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000038004768 170158476 /nfs/dbraw/zinc/15/84/76/170158476.db2.gz GHYBFQWUGBNMGJ-HIFRSBDPSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000038004769 170158728 /nfs/dbraw/zinc/15/87/28/170158728.db2.gz GHYBFQWUGBNMGJ-UKRRQHHQSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000038004770 170139804 /nfs/dbraw/zinc/13/98/04/170139804.db2.gz GHYBFQWUGBNMGJ-ZFWWWQNUSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000038004771 170140831 /nfs/dbraw/zinc/14/08/31/170140831.db2.gz GHYBFQWUGBNMGJ-DZGCQCFKSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(C)c1 ZINC000038004776 170158715 /nfs/dbraw/zinc/15/87/15/170158715.db2.gz COPXHMVLRPPTJF-HIFRSBDPSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccc(C)c1 ZINC000038004777 170158676 /nfs/dbraw/zinc/15/86/76/170158676.db2.gz COPXHMVLRPPTJF-UKRRQHHQSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(C)c1 ZINC000038004778 170141345 /nfs/dbraw/zinc/14/13/45/170141345.db2.gz COPXHMVLRPPTJF-ZFWWWQNUSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(C)c1 ZINC000038004779 170140914 /nfs/dbraw/zinc/14/09/14/170140914.db2.gz COPXHMVLRPPTJF-DZGCQCFKSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1C ZINC000038004780 170158706 /nfs/dbraw/zinc/15/87/06/170158706.db2.gz CUYAVSVSJXQKAE-KGLIPLIRSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1C ZINC000038004781 170158288 /nfs/dbraw/zinc/15/82/88/170158288.db2.gz CUYAVSVSJXQKAE-ZIAGYGMSSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1C ZINC000038004782 170141328 /nfs/dbraw/zinc/14/13/28/170141328.db2.gz CUYAVSVSJXQKAE-KBPBESRZSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1C ZINC000038004783 170141162 /nfs/dbraw/zinc/14/11/62/170141162.db2.gz CUYAVSVSJXQKAE-UONOGXRCSA-N 1 0 219.372 3.562 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000038004850 170158707 /nfs/dbraw/zinc/15/87/07/170158707.db2.gz BDLQFOMPYZQTQP-YPMHNXCESA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(Cl)cc1 ZINC000038004851 170158697 /nfs/dbraw/zinc/15/86/97/170158697.db2.gz BDLQFOMPYZQTQP-DGCLKSJQSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000038004852 170141017 /nfs/dbraw/zinc/14/10/17/170141017.db2.gz BDLQFOMPYZQTQP-AAEUAGOBSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(Cl)cc1 ZINC000038004853 170140576 /nfs/dbraw/zinc/14/05/76/170140576.db2.gz BDLQFOMPYZQTQP-WCQYABFASA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(Cl)c1 ZINC000038004854 170158433 /nfs/dbraw/zinc/15/84/33/170158433.db2.gz HJWJAGZMSXGXIA-YPMHNXCESA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccc(Cl)c1 ZINC000038004855 170158725 /nfs/dbraw/zinc/15/87/25/170158725.db2.gz HJWJAGZMSXGXIA-DGCLKSJQSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(Cl)c1 ZINC000038004856 170140927 /nfs/dbraw/zinc/14/09/27/170140927.db2.gz HJWJAGZMSXGXIA-AAEUAGOBSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(Cl)c1 ZINC000038004857 170140668 /nfs/dbraw/zinc/14/06/68/170140668.db2.gz HJWJAGZMSXGXIA-WCQYABFASA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1Cl ZINC000038004862 170158545 /nfs/dbraw/zinc/15/85/45/170158545.db2.gz YTJHIGRLBNVUKI-NEPJUHHUSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1Cl ZINC000038004863 170158526 /nfs/dbraw/zinc/15/85/26/170158526.db2.gz YTJHIGRLBNVUKI-VXGBXAGGSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1Cl ZINC000038004864 170141292 /nfs/dbraw/zinc/14/12/92/170141292.db2.gz YTJHIGRLBNVUKI-RYUDHWBXSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1Cl ZINC000038004865 170140968 /nfs/dbraw/zinc/14/09/68/170140968.db2.gz YTJHIGRLBNVUKI-NWDGAFQWSA-N 1 0 239.790 3.907 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(Cl)s1 ZINC000038004882 170158724 /nfs/dbraw/zinc/15/87/24/170158724.db2.gz ZCSZIXDEBAULAS-ZJUUUORDSA-N 1 0 245.819 3.968 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(Cl)s1 ZINC000038004883 170158320 /nfs/dbraw/zinc/15/83/20/170158320.db2.gz ZCSZIXDEBAULAS-NXEZZACHSA-N 1 0 245.819 3.968 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(Cl)s1 ZINC000038004884 170141368 /nfs/dbraw/zinc/14/13/68/170141368.db2.gz ZCSZIXDEBAULAS-UWVGGRQHSA-N 1 0 245.819 3.968 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(Cl)s1 ZINC000038004885 170141051 /nfs/dbraw/zinc/14/10/51/170141051.db2.gz ZCSZIXDEBAULAS-VHSXEESVSA-N 1 0 245.819 3.968 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(CC)s1 ZINC000038004890 170158505 /nfs/dbraw/zinc/15/85/05/170158505.db2.gz XGKDZULBCCITIO-VXGBXAGGSA-N 1 0 239.428 3.877 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(CC)s1 ZINC000038004891 170158592 /nfs/dbraw/zinc/15/85/92/170158592.db2.gz XGKDZULBCCITIO-NEPJUHHUSA-N 1 0 239.428 3.877 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(CC)s1 ZINC000038004892 170140816 /nfs/dbraw/zinc/14/08/16/170140816.db2.gz XGKDZULBCCITIO-NWDGAFQWSA-N 1 0 239.428 3.877 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(CC)s1 ZINC000038004893 170140089 /nfs/dbraw/zinc/14/00/89/170140089.db2.gz XGKDZULBCCITIO-RYUDHWBXSA-N 1 0 239.428 3.877 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccsc1 ZINC000038004926 169275610 /nfs/dbraw/zinc/27/56/10/169275610.db2.gz OYASPBOYUUIIPR-AAEUAGOBSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccsc1 ZINC000038004927 169286242 /nfs/dbraw/zinc/28/62/42/169286242.db2.gz OYASPBOYUUIIPR-YPMHNXCESA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccsc1 ZINC000038004928 169276234 /nfs/dbraw/zinc/27/62/34/169276234.db2.gz OYASPBOYUUIIPR-WCQYABFASA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccsc1 ZINC000038004929 169287326 /nfs/dbraw/zinc/28/73/26/169287326.db2.gz OYASPBOYUUIIPR-DGCLKSJQSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1 ZINC000038004946 169276283 /nfs/dbraw/zinc/27/62/83/169276283.db2.gz BRFQYRBPLXDLPX-ZFWWWQNUSA-N 1 0 219.372 3.643 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1 ZINC000038004947 169285881 /nfs/dbraw/zinc/28/58/81/169285881.db2.gz BRFQYRBPLXDLPX-HIFRSBDPSA-N 1 0 219.372 3.643 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1 ZINC000038004948 169275960 /nfs/dbraw/zinc/27/59/60/169275960.db2.gz BRFQYRBPLXDLPX-DZGCQCFKSA-N 1 0 219.372 3.643 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1 ZINC000038004949 169287552 /nfs/dbraw/zinc/28/75/52/169287552.db2.gz BRFQYRBPLXDLPX-UKRRQHHQSA-N 1 0 219.372 3.643 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(F)c1 ZINC000038004950 169275575 /nfs/dbraw/zinc/27/55/75/169275575.db2.gz AKYFQLCJYPDZGE-JSGCOSHPSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(F)c1 ZINC000038004951 169285711 /nfs/dbraw/zinc/28/57/11/169285711.db2.gz AKYFQLCJYPDZGE-OCCSQVGLSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(F)c1 ZINC000038004952 169276181 /nfs/dbraw/zinc/27/61/81/169276181.db2.gz AKYFQLCJYPDZGE-GXTWGEPZSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cccc(F)c1 ZINC000038004953 169287344 /nfs/dbraw/zinc/28/73/44/169287344.db2.gz AKYFQLCJYPDZGE-TZMCWYRMSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000038004954 169275726 /nfs/dbraw/zinc/27/57/26/169275726.db2.gz XDFXLLWMGHZLQG-HOCLYGCPSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000038004955 169286021 /nfs/dbraw/zinc/28/60/21/169286021.db2.gz XDFXLLWMGHZLQG-ZBFHGGJFSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000038004956 169275989 /nfs/dbraw/zinc/27/59/89/169275989.db2.gz XDFXLLWMGHZLQG-GOEBONIOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000038004957 169287329 /nfs/dbraw/zinc/28/73/29/169287329.db2.gz XDFXLLWMGHZLQG-GDBMZVCRSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(F)cc1 ZINC000038004958 169275721 /nfs/dbraw/zinc/27/57/21/169275721.db2.gz QCWTVNOEAJUBDO-JSGCOSHPSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(F)cc1 ZINC000038004959 169286464 /nfs/dbraw/zinc/28/64/64/169286464.db2.gz QCWTVNOEAJUBDO-OCCSQVGLSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(F)cc1 ZINC000038004960 169275786 /nfs/dbraw/zinc/27/57/86/169275786.db2.gz QCWTVNOEAJUBDO-GXTWGEPZSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccc(F)cc1 ZINC000038004961 169287404 /nfs/dbraw/zinc/28/74/04/169287404.db2.gz QCWTVNOEAJUBDO-TZMCWYRMSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(C)c1 ZINC000038004962 169275555 /nfs/dbraw/zinc/27/55/55/169275555.db2.gz RLWNPKLXXGRPSZ-HOCLYGCPSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(C)c1 ZINC000038004963 169285724 /nfs/dbraw/zinc/28/57/24/169285724.db2.gz RLWNPKLXXGRPSZ-ZBFHGGJFSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(C)c1 ZINC000038004964 169275803 /nfs/dbraw/zinc/27/58/03/169275803.db2.gz RLWNPKLXXGRPSZ-GOEBONIOSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cccc(C)c1 ZINC000038004965 169287189 /nfs/dbraw/zinc/28/71/89/169287189.db2.gz RLWNPKLXXGRPSZ-GDBMZVCRSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1C ZINC000038004966 169275632 /nfs/dbraw/zinc/27/56/32/169275632.db2.gz GVZNKHIZYKAPMX-GJZGRUSLSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1C ZINC000038004967 169286405 /nfs/dbraw/zinc/28/64/05/169286405.db2.gz GVZNKHIZYKAPMX-CABCVRRESA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1C ZINC000038004968 169275733 /nfs/dbraw/zinc/27/57/33/169275733.db2.gz GVZNKHIZYKAPMX-LSDHHAIUSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1C ZINC000038004969 169287520 /nfs/dbraw/zinc/28/75/20/169287520.db2.gz GVZNKHIZYKAPMX-HUUCEWRRSA-N 1 0 233.399 3.952 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1F ZINC000038005012 169276389 /nfs/dbraw/zinc/27/63/89/169276389.db2.gz FNJLDMXIIKTKHK-STQMWFEESA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1F ZINC000038005013 169286317 /nfs/dbraw/zinc/28/63/17/169286317.db2.gz FNJLDMXIIKTKHK-OLZOCXBDSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1F ZINC000038005014 169276133 /nfs/dbraw/zinc/27/61/33/169276133.db2.gz FNJLDMXIIKTKHK-QWHCGFSZSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1F ZINC000038005015 169287070 /nfs/dbraw/zinc/28/70/70/169287070.db2.gz FNJLDMXIIKTKHK-CHWSQXEVSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(OC)c1 ZINC000038005028 169275946 /nfs/dbraw/zinc/27/59/46/169275946.db2.gz SESPQSJTYAORCP-ZFWWWQNUSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(OC)c1 ZINC000038005029 169286453 /nfs/dbraw/zinc/28/64/53/169286453.db2.gz SESPQSJTYAORCP-HIFRSBDPSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(OC)c1 ZINC000038005030 169276446 /nfs/dbraw/zinc/27/64/46/169276446.db2.gz SESPQSJTYAORCP-DZGCQCFKSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cccc(OC)c1 ZINC000038005031 169287001 /nfs/dbraw/zinc/28/70/01/169287001.db2.gz SESPQSJTYAORCP-UKRRQHHQSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cccs1 ZINC000038005032 169276336 /nfs/dbraw/zinc/27/63/36/169276336.db2.gz QFIASVRMKAGAMZ-RYUDHWBXSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cccs1 ZINC000038005033 169285722 /nfs/dbraw/zinc/28/57/22/169285722.db2.gz QFIASVRMKAGAMZ-NEPJUHHUSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cccs1 ZINC000038005034 169275593 /nfs/dbraw/zinc/27/55/93/169275593.db2.gz QFIASVRMKAGAMZ-NWDGAFQWSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cccs1 ZINC000038005035 169287453 /nfs/dbraw/zinc/28/74/53/169287453.db2.gz QFIASVRMKAGAMZ-VXGBXAGGSA-N 1 0 225.401 3.705 10 0 BHAERO CCCOc1cccc(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000038038280 169325453 /nfs/dbraw/zinc/32/54/53/169325453.db2.gz COQPWKDWVMEBCU-AWEZNQCLSA-N 1 0 249.398 4.000 10 0 BHAERO CCCOc1cccc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000038038281 169325493 /nfs/dbraw/zinc/32/54/93/169325493.db2.gz COQPWKDWVMEBCU-CQSZACIVSA-N 1 0 249.398 4.000 10 0 BHAERO Cc1cccc2oc([C@H]([NH3+])C3CCCCC3)nc21 ZINC000038052723 179232875 /nfs/dbraw/zinc/23/28/75/179232875.db2.gz MGLOSRHHWJDIGL-CYBMUJFWSA-N 1 0 244.338 3.716 10 0 BHAERO Cc1cccc2oc([C@@H]([NH3+])C3CCCCC3)nc21 ZINC000038052724 179233459 /nfs/dbraw/zinc/23/34/59/179233459.db2.gz MGLOSRHHWJDIGL-ZDUSSCGKSA-N 1 0 244.338 3.716 10 0 BHAERO CCC[NH2+][C@@H]1COc2c1c(C(C)C)ccc2C ZINC000038052843 169283379 /nfs/dbraw/zinc/28/33/79/169283379.db2.gz JUSLPJVFFORRHK-CYBMUJFWSA-N 1 0 233.355 3.552 10 0 BHAERO CCC[NH2+][C@H]1COc2c1c(C(C)C)ccc2C ZINC000038052844 169292627 /nfs/dbraw/zinc/29/26/27/169292627.db2.gz JUSLPJVFFORRHK-ZDUSSCGKSA-N 1 0 233.355 3.552 10 0 BHAERO CC[NH2+][C@@H]1CCOc2c(C)ccc(C(C)C)c21 ZINC000038052851 170152871 /nfs/dbraw/zinc/15/28/71/170152871.db2.gz KIYLAEVKPCGLCB-CYBMUJFWSA-N 1 0 233.355 3.552 10 0 BHAERO CC[NH2+][C@H]1CCOc2c(C)ccc(C(C)C)c21 ZINC000038052852 170168790 /nfs/dbraw/zinc/16/87/90/170168790.db2.gz KIYLAEVKPCGLCB-ZDUSSCGKSA-N 1 0 233.355 3.552 10 0 BHAERO CCC[NH2+][C@@H]1CCOc2c(C)ccc(C(C)C)c21 ZINC000038052853 169282867 /nfs/dbraw/zinc/28/28/67/169282867.db2.gz CCSZONHQGUCYRG-CQSZACIVSA-N 1 0 247.382 3.942 10 0 BHAERO CCC[NH2+][C@H]1CCOc2c(C)ccc(C(C)C)c21 ZINC000038052854 169291984 /nfs/dbraw/zinc/29/19/84/169291984.db2.gz CCSZONHQGUCYRG-AWEZNQCLSA-N 1 0 247.382 3.942 10 0 BHAERO Cc1ccc(C(C)C)c2c1OCC[C@H]2[NH2+]C(C)C ZINC000038052856 178453567 /nfs/dbraw/zinc/45/35/67/178453567.db2.gz VLTXZKNNCXSZQI-CQSZACIVSA-N 1 0 247.382 3.940 10 0 BHAERO CC[NH2+][C@@H]1CCCOc2c(C)ccc(C(C)C)c21 ZINC000038052861 170150601 /nfs/dbraw/zinc/15/06/01/170150601.db2.gz FINDTBOYGOPWFF-CQSZACIVSA-N 1 0 247.382 3.942 10 0 BHAERO CC[NH2+][C@H]1CCCOc2c(C)ccc(C(C)C)c21 ZINC000038052862 170166671 /nfs/dbraw/zinc/16/66/71/170166671.db2.gz FINDTBOYGOPWFF-AWEZNQCLSA-N 1 0 247.382 3.942 10 0 BHAERO Cc1ccc(C(C)C)cc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038052964 178454701 /nfs/dbraw/zinc/45/47/01/178454701.db2.gz ZXKJGCGBJLBVED-LSDHHAIUSA-N 1 0 247.382 3.767 10 0 BHAERO CC[C@H]([NH3+])[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000038052968 171487795 /nfs/dbraw/zinc/48/77/95/171487795.db2.gz LIIVFNKNFDLSFH-OCCSQVGLSA-N 1 0 235.371 3.623 10 0 BHAERO Cc1ccc(C(C)C)cc1OC[C@@H]([NH3+])C(C)(C)C ZINC000038052985 178454742 /nfs/dbraw/zinc/45/47/42/178454742.db2.gz YXGIGYYUPPSWKL-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO CCC[NH2+]CCCOc1cc(C(C)C)ccc1C ZINC000038053093 169256632 /nfs/dbraw/zinc/25/66/32/169256632.db2.gz SBSAPRIKQSFPGC-UHFFFAOYSA-N 1 0 249.398 3.887 10 0 BHAERO [NH3+][C@H](c1ccc2c(c1)CCCO2)C1CCCCC1 ZINC000038057817 181632205 /nfs/dbraw/zinc/63/22/05/181632205.db2.gz AUPVMWCSPVDNKU-INIZCTEOSA-N 1 0 245.366 3.592 10 0 BHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038057962 169373782 /nfs/dbraw/zinc/37/37/82/169373782.db2.gz ZUPQWMBYOCJRBF-WBMJQRKESA-N 1 0 247.382 3.708 10 0 BHAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038057963 169495212 /nfs/dbraw/zinc/49/52/12/169495212.db2.gz ZUPQWMBYOCJRBF-LRDDRELGSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038057964 169372338 /nfs/dbraw/zinc/37/23/38/169372338.db2.gz ZUPQWMBYOCJRBF-MLGOLLRUSA-N 1 0 247.382 3.708 10 0 BHAERO C[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCCO2 ZINC000038057966 173422547 /nfs/dbraw/zinc/42/25/47/173422547.db2.gz CNQKIOCPHVOTIX-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CCCCC[C@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038057970 168745201 /nfs/dbraw/zinc/74/52/01/168745201.db2.gz XVPAABZHQPCSPZ-HNNXBMFYSA-N 1 0 247.382 3.852 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C(C)(C)C ZINC000038058124 170148127 /nfs/dbraw/zinc/14/81/27/170148127.db2.gz XCTMHEGIQRTWHX-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C(C)(C)C ZINC000038058125 170164133 /nfs/dbraw/zinc/16/41/33/170164133.db2.gz XCTMHEGIQRTWHX-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCCO2 ZINC000038058176 170143721 /nfs/dbraw/zinc/14/37/21/170143721.db2.gz CXWJMGZGLOVURW-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCCO2 ZINC000038058177 170161029 /nfs/dbraw/zinc/16/10/29/170161029.db2.gz CXWJMGZGLOVURW-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H](C)CC ZINC000038058186 170164135 /nfs/dbraw/zinc/16/41/35/170164135.db2.gz NYVGQYRXLPODFX-WBMJQRKESA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H](C)CC ZINC000038058187 170164111 /nfs/dbraw/zinc/16/41/11/170164111.db2.gz NYVGQYRXLPODFX-LRDDRELGSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@H](C)CC ZINC000038058188 170148109 /nfs/dbraw/zinc/14/81/09/170148109.db2.gz NYVGQYRXLPODFX-MLGOLLRUSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H](C)CC ZINC000038058189 170148566 /nfs/dbraw/zinc/14/85/66/170148566.db2.gz NYVGQYRXLPODFX-BLLLJJGKSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccc2c(c1)CCCO2 ZINC000038058236 169277755 /nfs/dbraw/zinc/27/77/55/169277755.db2.gz DBHWCNZTHXWVSW-HNNXBMFYSA-N 1 0 247.382 3.852 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccc2c(c1)CCCO2 ZINC000038058237 169289413 /nfs/dbraw/zinc/28/94/13/169289413.db2.gz DBHWCNZTHXWVSW-OAHLLOKOSA-N 1 0 247.382 3.852 10 0 BHAERO Cc1cc(C)cc(-c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000038069776 177889605 /nfs/dbraw/zinc/88/96/05/177889605.db2.gz GOPGJCQSPQOATK-CYBMUJFWSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1cc(C)cc(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000038069777 177889299 /nfs/dbraw/zinc/88/92/99/177889299.db2.gz GOPGJCQSPQOATK-ZDUSSCGKSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1cc(C)cc(-c2ccccc2[C@@H](C)[NH3+])c1 ZINC000038069779 177889174 /nfs/dbraw/zinc/88/91/74/177889174.db2.gz SGVDEWJXRMNUFX-CYBMUJFWSA-N 1 0 225.335 3.990 10 0 BHAERO C[NH2+]Cc1cc(-c2cc(C)cc(C)c2)ccc1F ZINC000038069805 173385245 /nfs/dbraw/zinc/38/52/45/173385245.db2.gz SSPDHSQADQPOCQ-UHFFFAOYSA-N 1 0 243.325 3.829 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1F ZINC000038069806 173388083 /nfs/dbraw/zinc/38/80/83/173388083.db2.gz DTLMNPXUCYDIRO-UHFFFAOYSA-N 1 0 243.325 3.829 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccccc1-c1cccnc1 ZINC000038069897 169277222 /nfs/dbraw/zinc/27/72/22/169277222.db2.gz BITCHLCQMLJUAC-ZDUSSCGKSA-N 1 0 240.350 3.809 10 0 BHAERO CCC[NH2+][C@H](C)c1ccccc1-c1cccnc1 ZINC000038069898 169287263 /nfs/dbraw/zinc/28/72/63/169287263.db2.gz BITCHLCQMLJUAC-CYBMUJFWSA-N 1 0 240.350 3.809 10 0 BHAERO CCC[NH2+][C@@H](C)c1cccc(-c2cccnc2)c1 ZINC000038069907 169277520 /nfs/dbraw/zinc/27/75/20/169277520.db2.gz JWJALJIWUVTKEN-ZDUSSCGKSA-N 1 0 240.350 3.809 10 0 BHAERO CCC[NH2+][C@H](C)c1cccc(-c2cccnc2)c1 ZINC000038069908 169287094 /nfs/dbraw/zinc/28/70/94/169287094.db2.gz JWJALJIWUVTKEN-CYBMUJFWSA-N 1 0 240.350 3.809 10 0 BHAERO CC[NH2+][C@@H](CC)c1ccc(-c2cccnc2)cc1 ZINC000038069920 170144143 /nfs/dbraw/zinc/14/41/43/170144143.db2.gz NAIMSBNSVVGORA-INIZCTEOSA-N 1 0 240.350 3.809 10 0 BHAERO CC[NH2+][C@H](CC)c1ccc(-c2cccnc2)cc1 ZINC000038069921 170161681 /nfs/dbraw/zinc/16/16/81/170161681.db2.gz NAIMSBNSVVGORA-MRXNPFEDSA-N 1 0 240.350 3.809 10 0 BHAERO CC[NH2+][C@@H](CC)c1cccc(-c2cccnc2)c1 ZINC000038069931 170144242 /nfs/dbraw/zinc/14/42/42/170144242.db2.gz FTCQJCBVZHQSGP-INIZCTEOSA-N 1 0 240.350 3.809 10 0 BHAERO CC[NH2+][C@H](CC)c1cccc(-c2cccnc2)c1 ZINC000038069932 170161402 /nfs/dbraw/zinc/16/14/02/170161402.db2.gz FTCQJCBVZHQSGP-MRXNPFEDSA-N 1 0 240.350 3.809 10 0 BHAERO C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000038069978 384240551 /nfs/dbraw/zinc/24/05/51/384240551.db2.gz CJMSHILINBKFBB-UHFFFAOYSA-N 1 0 231.726 3.726 10 0 BHAERO C[NH2+]Cc1cc(-c2ccc(Cl)cc2)ccc1F ZINC000038069983 173384953 /nfs/dbraw/zinc/38/49/53/173384953.db2.gz YTSRVNJVYBTQTF-UHFFFAOYSA-N 1 0 249.716 3.866 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(C)cc2)cc1 ZINC000038070006 170126612 /nfs/dbraw/zinc/12/66/12/170126612.db2.gz QWKVPXQDHBHNBL-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO Cc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000038070009 178324590 /nfs/dbraw/zinc/32/45/90/178324590.db2.gz FBDYPYPUSZWXIC-UHFFFAOYSA-N 1 0 237.346 3.914 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(C)cc1 ZINC000038070022 173448900 /nfs/dbraw/zinc/44/89/00/173448900.db2.gz LZAJXUKMUCQXAW-CYBMUJFWSA-N 1 0 225.335 3.942 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccc(C)cc1 ZINC000038070038 170128159 /nfs/dbraw/zinc/12/81/59/170128159.db2.gz UPDAEPRDKKWSOX-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO Cc1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038070041 178326945 /nfs/dbraw/zinc/32/69/45/178326945.db2.gz QUSZDAWFLADYMX-UHFFFAOYSA-N 1 0 237.346 3.914 10 0 BHAERO C[NH2+]Cc1cc(-c2ccc(C)cc2)ccc1F ZINC000038070042 173384595 /nfs/dbraw/zinc/38/45/95/173384595.db2.gz VBDACEBPXHGBGK-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1cc(-c2ccc(C)cc2)ccc1F ZINC000038070043 170124821 /nfs/dbraw/zinc/12/48/21/170124821.db2.gz VPTSXILXBLUBKI-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)cc2)cc1F ZINC000038070048 173387837 /nfs/dbraw/zinc/38/78/37/173387837.db2.gz VEIADUPFDVEVIB-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(C)cc2)cc1F ZINC000038070049 170126518 /nfs/dbraw/zinc/12/65/18/170126518.db2.gz BMGVQFKOENWETJ-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(C)cc2)c1 ZINC000038070055 170126181 /nfs/dbraw/zinc/12/61/81/170126181.db2.gz YKAUAXBGZWXDGX-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+][C@@H](C)c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070208 173418979 /nfs/dbraw/zinc/41/89/79/173418979.db2.gz XFMCMJMILMWMCB-JTQLQIEISA-N 1 0 247.288 3.912 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070213 170126964 /nfs/dbraw/zinc/12/69/64/170126964.db2.gz LCNSMERWSSFNTG-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[C@H]([NH3+])c1ccccc1-c1cc(F)cc(F)c1 ZINC000038070222 176777676 /nfs/dbraw/zinc/77/76/76/176777676.db2.gz ZQODYEUAQLVXIL-VIFPVBQESA-N 1 0 233.261 3.652 10 0 BHAERO C[C@@H]([NH3+])c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070226 175817880 /nfs/dbraw/zinc/81/78/80/175817880.db2.gz AGBGPNPAHPNPBO-SECBINFHSA-N 1 0 233.261 3.652 10 0 BHAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(F)cc(F)c1 ZINC000038070235 173419565 /nfs/dbraw/zinc/41/95/65/173419565.db2.gz RJAURUFZENRZGY-JTQLQIEISA-N 1 0 247.288 3.912 10 0 BHAERO CC[NH2+]Cc1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070242 170127348 /nfs/dbraw/zinc/12/73/48/170127348.db2.gz FGQOUPCNXDGBKV-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+][C@@H](C)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070246 187262487 /nfs/dbraw/zinc/26/24/87/187262487.db2.gz NXVLNKKWQMPAQB-JTQLQIEISA-N 1 0 247.288 3.912 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cc(F)cc(F)c1 ZINC000038070251 170128548 /nfs/dbraw/zinc/12/85/48/170128548.db2.gz AENAWTSTZUHRSN-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070284 173387809 /nfs/dbraw/zinc/38/78/09/173387809.db2.gz FUPGDCGIUJHAOP-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070285 170126081 /nfs/dbraw/zinc/12/60/81/170126081.db2.gz QEABFBHRPJABGI-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO Cc1ccc(F)c(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000038070291 178667347 /nfs/dbraw/zinc/66/73/47/178667347.db2.gz XMBYDXGOMCQLTA-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO CC[NH2+]Cc1cccc(-c2cc(C)ccc2F)c1 ZINC000038070311 170127113 /nfs/dbraw/zinc/12/71/13/170127113.db2.gz GDXHBOLDOOHFAV-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cc(C)ccc1F ZINC000038070319 170128147 /nfs/dbraw/zinc/12/81/47/170128147.db2.gz UXJSVQKHXGLPNA-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1cc(-c2cc(C)ccc2F)ccc1F ZINC000038070323 173384687 /nfs/dbraw/zinc/38/46/87/173384687.db2.gz ASAPOGDJKLQBQG-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(C)ccc2F)cc1F ZINC000038070328 173388066 /nfs/dbraw/zinc/38/80/66/173388066.db2.gz NVKPDJVWUBKQCI-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO CCOc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1 ZINC000038070355 170531777 /nfs/dbraw/zinc/53/17/77/170531777.db2.gz IKGXQFLISOUIAO-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO CC[C@H]([NH3+])c1cccc(-c2ccccc2)c1 ZINC000038070620 350301590 /nfs/dbraw/zinc/30/15/90/350301590.db2.gz LRFBBZATORJRRF-HNNXBMFYSA-N 1 0 211.308 3.763 10 0 BHAERO CC[C@@H]([NH3+])c1cccc(-c2ccccc2)c1 ZINC000038070621 350301787 /nfs/dbraw/zinc/30/17/87/350301787.db2.gz LRFBBZATORJRRF-OAHLLOKOSA-N 1 0 211.308 3.763 10 0 BHAERO CC[NH2+]Cc1cc(-c2ccccc2)ccc1F ZINC000038070635 170124488 /nfs/dbraw/zinc/12/44/88/170124488.db2.gz OMWJEYTVHGGNML-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1cc(-c2ccccc2)ccc1F ZINC000038070636 169265780 /nfs/dbraw/zinc/26/57/80/169265780.db2.gz DCCSTGMCJIDMRM-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1cc(-c2ccccc2)ccc1F ZINC000038070637 167117286 /nfs/dbraw/zinc/11/72/86/167117286.db2.gz KSFFMXNLLLJCPH-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000038070640 170126354 /nfs/dbraw/zinc/12/63/54/170126354.db2.gz KDRUAEXQQNCCER-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000038070641 169267275 /nfs/dbraw/zinc/26/72/75/169267275.db2.gz BIRQLRHMPNWVGJ-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2ccccc2)c1 ZINC000038070649 170126647 /nfs/dbraw/zinc/12/66/47/170126647.db2.gz KKIHRRZCHLNLGD-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccc(F)c(-c2ccccc2)c1 ZINC000038070650 169266376 /nfs/dbraw/zinc/26/63/76/169266376.db2.gz UAVXWRHDFIRXAL-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1ccc(F)c(-c2ccccc2)c1 ZINC000038070651 167118838 /nfs/dbraw/zinc/11/88/38/167118838.db2.gz VSUOZQBTVNUVQF-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccccc2C)cc1 ZINC000038070668 170126875 /nfs/dbraw/zinc/12/68/75/170126875.db2.gz BCILZZHWZWMJNP-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO Cc1ccccc1-c1ccc(C[NH2+]C2CC2)cc1 ZINC000038070671 179235224 /nfs/dbraw/zinc/23/52/24/179235224.db2.gz FYZHVGDZWDMLFH-UHFFFAOYSA-N 1 0 237.346 3.914 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1-c1ccccc1C ZINC000038070686 173448956 /nfs/dbraw/zinc/44/89/56/173448956.db2.gz LXQXYGAIUXVVTH-CYBMUJFWSA-N 1 0 225.335 3.942 10 0 BHAERO C[NH2+]Cc1cc(-c2ccccc2C)ccc1F ZINC000038070708 173385787 /nfs/dbraw/zinc/38/57/87/173385787.db2.gz GEYFHKJTGUCFIK-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1cc(-c2ccccc2C)ccc1F ZINC000038070709 170124303 /nfs/dbraw/zinc/12/43/03/170124303.db2.gz MAKRXHMIUBSYHS-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccccc2C)cc1F ZINC000038070717 173387847 /nfs/dbraw/zinc/38/78/47/173387847.db2.gz BOADHFXAWBPMAW-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccccc2C)cc1F ZINC000038070718 170126238 /nfs/dbraw/zinc/12/62/38/170126238.db2.gz ZTNGPWYKMFHXLB-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1ccc(F)c(-c2ccccc2C)c1 ZINC000038070726 187772316 /nfs/dbraw/zinc/77/23/16/187772316.db2.gz MWLYQPKENDMXBY-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2ccccc2C)c1 ZINC000038070727 170126969 /nfs/dbraw/zinc/12/69/69/170126969.db2.gz OLAQHJOLNQTYGJ-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000038070744 170126571 /nfs/dbraw/zinc/12/65/71/170126571.db2.gz BMTTYMCFQHXNEP-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000038070745 169267154 /nfs/dbraw/zinc/26/71/54/169267154.db2.gz DRCHHICVDNCIHP-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000038070746 167116191 /nfs/dbraw/zinc/11/61/91/167116191.db2.gz PLXNDPZMCOTXPD-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO C[C@H]([NH3+])c1cccc(-c2ccc(F)cc2)c1 ZINC000038070752 343143506 /nfs/dbraw/zinc/14/35/06/343143506.db2.gz RPGRHJJTYWVSRF-JTQLQIEISA-N 1 0 215.271 3.512 10 0 BHAERO C[C@@H]([NH3+])c1cccc(-c2ccc(F)cc2)c1 ZINC000038070753 343143302 /nfs/dbraw/zinc/14/33/02/343143302.db2.gz RPGRHJJTYWVSRF-SNVBAGLBSA-N 1 0 215.271 3.512 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1 ZINC000038070760 173449213 /nfs/dbraw/zinc/44/92/13/173449213.db2.gz CNULVVHKZGFISB-LLVKDONJSA-N 1 0 229.298 3.773 10 0 BHAERO CC[NH2+]Cc1cccc(-c2ccc(F)cc2)c1 ZINC000038070766 170127857 /nfs/dbraw/zinc/12/78/57/170127857.db2.gz QKASGQICKVFHGZ-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1cccc(-c2ccc(F)cc2)c1 ZINC000038070767 169268047 /nfs/dbraw/zinc/26/80/47/169268047.db2.gz FDNHEZSNYCFEPM-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1cccc(-c2ccc(F)cc2)c1 ZINC000038070768 167118576 /nfs/dbraw/zinc/11/85/76/167118576.db2.gz WRNLMHMKBXITGW-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccc(F)cc1 ZINC000038070776 170128617 /nfs/dbraw/zinc/12/86/17/170128617.db2.gz RQIOVWRAFIKZDM-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccccc1-c1ccc(F)cc1 ZINC000038070777 169268110 /nfs/dbraw/zinc/26/81/10/169268110.db2.gz QCZUCLOOFZUECC-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1-c1ccc(F)cc1 ZINC000038070778 167118602 /nfs/dbraw/zinc/11/86/02/167118602.db2.gz HEOQKOWPRUKYIC-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO Fc1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038070779 180957450 /nfs/dbraw/zinc/95/74/50/180957450.db2.gz YUNJJCHLQNISIQ-UHFFFAOYSA-N 1 0 241.309 3.745 10 0 BHAERO CC[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1F ZINC000038070781 170124184 /nfs/dbraw/zinc/12/41/84/170124184.db2.gz LLEVBHQVLRJNDW-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070790 170126733 /nfs/dbraw/zinc/12/67/33/170126733.db2.gz HVMLGFAYYVKCEQ-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000038070799 170126845 /nfs/dbraw/zinc/12/68/45/170126845.db2.gz BNYMNMXSRJHBMO-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070814 173388342 /nfs/dbraw/zinc/38/83/42/173388342.db2.gz UISSNJOHFQYSQH-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070815 170126206 /nfs/dbraw/zinc/12/62/06/170126206.db2.gz PKGOXAKZEMYXIJ-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1cccc(-c2cc(F)ccc2C)c1 ZINC000038070844 170127036 /nfs/dbraw/zinc/12/70/36/170127036.db2.gz QGWHQEWJJFPFPG-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cc(F)ccc1C ZINC000038070853 170127970 /nfs/dbraw/zinc/12/79/70/170127970.db2.gz RKPKWJARHRWTER-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1cc(-c2cc(F)ccc2C)ccc1F ZINC000038070857 173385238 /nfs/dbraw/zinc/38/52/38/173385238.db2.gz OEKRZPLJZZUPIR-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+]Cc1ccc(-c2cc(F)ccc2C)cc1F ZINC000038070864 173387816 /nfs/dbraw/zinc/38/78/16/173387816.db2.gz GZAFGHLIRIQDIP-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070940 170869544 /nfs/dbraw/zinc/86/95/44/170869544.db2.gz MVWDKPHJSSWBNS-MRXNPFEDSA-N 1 0 241.334 3.772 10 0 BHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038070954 173420109 /nfs/dbraw/zinc/42/01/09/173420109.db2.gz ZKPZZSCVLRJJPP-LBPRGKRZSA-N 1 0 241.334 3.643 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071165 173388100 /nfs/dbraw/zinc/38/81/00/173388100.db2.gz LZPTYCPOLVDULW-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071166 170126265 /nfs/dbraw/zinc/12/62/65/170126265.db2.gz ISFDLAHRIFYCLT-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO Cc1cc(F)ccc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000038071172 178080438 /nfs/dbraw/zinc/08/04/38/178080438.db2.gz RNQQDXODHKOWTN-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO Cc1cc(F)ccc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000038071173 178080599 /nfs/dbraw/zinc/08/05/99/178080599.db2.gz RNQQDXODHKOWTN-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO Cc1cc(F)ccc1-c1ccccc1[C@@H](C)[NH3+] ZINC000038071175 178080234 /nfs/dbraw/zinc/08/02/34/178080234.db2.gz WANXBLASVXZGDV-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO Cc1cc(F)ccc1-c1ccccc1[C@H](C)[NH3+] ZINC000038071176 178080324 /nfs/dbraw/zinc/08/03/24/178080324.db2.gz WANXBLASVXZGDV-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO Cc1cc(F)ccc1-c1cccc([C@@H](C)[NH3+])c1 ZINC000038071178 178080798 /nfs/dbraw/zinc/08/07/98/178080798.db2.gz LJVSASOCOHTLOS-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO Cc1cc(F)ccc1-c1cccc([C@H](C)[NH3+])c1 ZINC000038071179 178080803 /nfs/dbraw/zinc/08/08/03/178080803.db2.gz LJVSASOCOHTLOS-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO CC[NH2+]Cc1cccc(-c2ccc(F)cc2C)c1 ZINC000038071195 170127668 /nfs/dbraw/zinc/12/76/68/170127668.db2.gz POQTXBHLRIQPPA-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccc(F)cc1C ZINC000038071204 170128534 /nfs/dbraw/zinc/12/85/34/170128534.db2.gz VGEOBCULZMQIIU-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1cc(-c2ccc(F)cc2C)ccc1F ZINC000038071208 173384685 /nfs/dbraw/zinc/38/46/85/173384685.db2.gz FWQNFYNYOCSSGG-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(F)cc2C)cc1F ZINC000038071215 173387762 /nfs/dbraw/zinc/38/77/62/173387762.db2.gz ZMTJEJVMXXVUBY-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071276 173387765 /nfs/dbraw/zinc/38/77/65/173387765.db2.gz ZPEIOERPUHQQDK-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071277 170126543 /nfs/dbraw/zinc/12/65/43/170126543.db2.gz LQGXLIFZYADVKQ-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO Cc1cc(-c2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000038071282 177684360 /nfs/dbraw/zinc/68/43/60/177684360.db2.gz FCTPHBRQOOENEK-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO CC[NH2+]Cc1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071303 170127342 /nfs/dbraw/zinc/12/73/42/170127342.db2.gz HUKCTUNSPQYQFD-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1ccccc1-c1ccc(F)c(C)c1 ZINC000038071310 188116594 /nfs/dbraw/zinc/11/65/94/188116594.db2.gz NZCWKYOGUSHRRC-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccc(F)c(C)c1 ZINC000038071311 170128668 /nfs/dbraw/zinc/12/86/68/170128668.db2.gz GQHKYPVLSHPRHP-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1cc(-c2ccc(F)c(C)c2)ccc1F ZINC000038071315 173384689 /nfs/dbraw/zinc/38/46/89/173384689.db2.gz OKJSCRNSLBSCAA-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)cc1F ZINC000038071320 173388108 /nfs/dbraw/zinc/38/81/08/173388108.db2.gz JVRXNVBMYDHMCV-UHFFFAOYSA-N 1 0 247.288 3.660 10 0 BHAERO C[NH2+][C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000038071436 173448297 /nfs/dbraw/zinc/44/82/97/173448297.db2.gz GMILDLABPBSLOA-GFCCVEGCSA-N 1 0 241.334 3.643 10 0 BHAERO C[NH2+][C@@H](C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071468 188116794 /nfs/dbraw/zinc/11/67/94/188116794.db2.gz GZZBDHGGRVJBKC-LBPRGKRZSA-N 1 0 241.334 3.643 10 0 BHAERO C[NH2+][C@H](C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071469 173449459 /nfs/dbraw/zinc/44/94/59/173449459.db2.gz GZZBDHGGRVJBKC-GFCCVEGCSA-N 1 0 241.334 3.643 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cccc(C)c2)cc1 ZINC000038071513 170126990 /nfs/dbraw/zinc/12/69/90/170126990.db2.gz NBBSYGYWQMYPIA-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO Cc1cccc(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000038071516 178993379 /nfs/dbraw/zinc/99/33/79/178993379.db2.gz HGPJQOCYDKMFES-UHFFFAOYSA-N 1 0 237.346 3.914 10 0 BHAERO CC[NH2+]Cc1cccc(-c2cccc(C)c2)c1 ZINC000038071536 170127823 /nfs/dbraw/zinc/12/78/23/170127823.db2.gz DQQIMMIDFUQMNX-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO Cc1cccc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038071539 178994573 /nfs/dbraw/zinc/99/45/73/178994573.db2.gz GEYYTRKFKHSHBB-UHFFFAOYSA-N 1 0 237.346 3.914 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cccc(C)c1 ZINC000038071545 170128607 /nfs/dbraw/zinc/12/86/07/170128607.db2.gz QHTWVRWBWWLUQU-UHFFFAOYSA-N 1 0 225.335 3.772 10 0 BHAERO C[NH2+]Cc1cc(-c2cccc(C)c2)ccc1F ZINC000038071549 173386332 /nfs/dbraw/zinc/38/63/32/173386332.db2.gz DQMYMEWVJQJRQR-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1cc(-c2cccc(C)c2)ccc1F ZINC000038071550 170124319 /nfs/dbraw/zinc/12/43/19/170124319.db2.gz XUAFUIMBIIFHBA-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO C[NH2+]Cc1ccc(-c2cccc(C)c2)cc1F ZINC000038071555 173388276 /nfs/dbraw/zinc/38/82/76/173388276.db2.gz PQUHYQARBQLSGV-UHFFFAOYSA-N 1 0 229.298 3.521 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cccc(C)c2)cc1F ZINC000038071556 170126696 /nfs/dbraw/zinc/12/66/96/170126696.db2.gz VROWESIFLSDYKG-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2cccc(C)c2)c1 ZINC000038071562 170126183 /nfs/dbraw/zinc/12/61/83/170126183.db2.gz AALQQSHKANOZRX-UHFFFAOYSA-N 1 0 243.325 3.911 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cccc(F)c2)cc1 ZINC000038071579 170126601 /nfs/dbraw/zinc/12/66/01/170126601.db2.gz PAMMABVNUQLAEH-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccc(-c2cccc(F)c2)cc1 ZINC000038071580 169266402 /nfs/dbraw/zinc/26/64/02/169266402.db2.gz GDDQVOXELRCSMU-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1ccc(-c2cccc(F)c2)cc1 ZINC000038071581 167116657 /nfs/dbraw/zinc/11/66/57/167116657.db2.gz PACYZDZRKCRQCI-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(-c2cccc(F)c2)cc1 ZINC000038071593 170870301 /nfs/dbraw/zinc/87/03/01/170870301.db2.gz ZSFIDWYYKNAOIG-OAHLLOKOSA-N 1 0 229.298 3.903 10 0 BHAERO CC[NH2+]Cc1cccc(-c2cccc(F)c2)c1 ZINC000038071605 170128033 /nfs/dbraw/zinc/12/80/33/170128033.db2.gz NJJIIFKZTWACHH-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1cccc(-c2cccc(F)c2)c1 ZINC000038071606 169268264 /nfs/dbraw/zinc/26/82/64/169268264.db2.gz XGZVJUBDJGJHKY-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1cccc(-c2cccc(F)c2)c1 ZINC000038071607 167118956 /nfs/dbraw/zinc/11/89/56/167118956.db2.gz FXXACUAHERILQI-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO Fc1cccc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038071608 180992494 /nfs/dbraw/zinc/99/24/94/180992494.db2.gz LYUHKKIUMOFTBX-UHFFFAOYSA-N 1 0 241.309 3.745 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cccc(F)c1 ZINC000038071616 170128394 /nfs/dbraw/zinc/12/83/94/170128394.db2.gz NQGGUMGHAQROLN-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CCC[NH2+]Cc1ccccc1-c1cccc(F)c1 ZINC000038071617 169267731 /nfs/dbraw/zinc/26/77/31/169267731.db2.gz BUOJSLODSBFZSL-UHFFFAOYSA-N 1 0 243.325 3.992 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1-c1cccc(F)c1 ZINC000038071618 167118802 /nfs/dbraw/zinc/11/88/02/167118802.db2.gz LXNLGLPAMXQASS-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO Fc1cccc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038071619 180993946 /nfs/dbraw/zinc/99/39/46/180993946.db2.gz KTSRZVWTVNDPID-UHFFFAOYSA-N 1 0 241.309 3.745 10 0 BHAERO CC[NH2+]Cc1cc(-c2cccc(F)c2)ccc1F ZINC000038071621 170124646 /nfs/dbraw/zinc/12/46/46/170124646.db2.gz DFLPHBAAOTVZDB-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cccc(F)c2)cc1F ZINC000038071630 170126117 /nfs/dbraw/zinc/12/61/17/170126117.db2.gz VIXIJNZGBBIUKH-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO CC[NH2+]Cc1ccc(F)c(-c2cccc(F)c2)c1 ZINC000038071639 170126174 /nfs/dbraw/zinc/12/61/74/170126174.db2.gz AVIRAYQPVRZYIP-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO Cc1ccc(C)c(-c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000038072058 384240143 /nfs/dbraw/zinc/24/01/43/384240143.db2.gz BGRGFFLBDDTYDI-CYBMUJFWSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1ccc(C)c(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000038072059 384239746 /nfs/dbraw/zinc/23/97/46/384239746.db2.gz BGRGFFLBDDTYDI-ZDUSSCGKSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1ccc(C)c(-c2cccc([C@@H](C)[NH3+])c2)c1 ZINC000038072063 343451302 /nfs/dbraw/zinc/45/13/02/343451302.db2.gz PCJIMFPAAUPBNL-CYBMUJFWSA-N 1 0 225.335 3.990 10 0 BHAERO Cc1ccc(C)c(-c2cccc([C@H](C)[NH3+])c2)c1 ZINC000038072064 343451113 /nfs/dbraw/zinc/45/11/13/343451113.db2.gz PCJIMFPAAUPBNL-ZDUSSCGKSA-N 1 0 225.335 3.990 10 0 BHAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2F)cc1 ZINC000038072214 170126208 /nfs/dbraw/zinc/12/62/08/170126208.db2.gz ONSNWTVOKYZVCF-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1-c1cc(F)ccc1F ZINC000038072235 173449466 /nfs/dbraw/zinc/44/94/66/173449466.db2.gz SOUNDHCWLWMYFD-SNVBAGLBSA-N 1 0 247.288 3.912 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1cc(F)ccc1F ZINC000038072250 170128647 /nfs/dbraw/zinc/12/86/47/170128647.db2.gz PDJMPLMOLQJUCC-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+]Cc1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038072282 173387965 /nfs/dbraw/zinc/38/79/65/173387965.db2.gz BPTIEPYTXYBZCI-UHFFFAOYSA-N 1 0 239.362 3.998 10 0 BHAERO C[C@H]([NH3+])c1ccccc1-c1ccc(F)cc1F ZINC000038072337 176777291 /nfs/dbraw/zinc/77/72/91/176777291.db2.gz AEBRNFBTJDRRBX-VIFPVBQESA-N 1 0 233.261 3.652 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1-c1ccc(F)cc1F ZINC000038072338 384999190 /nfs/dbraw/zinc/99/91/90/384999190.db2.gz AEBRNFBTJDRRBX-SECBINFHSA-N 1 0 233.261 3.652 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccc(F)cc1F ZINC000038072366 170128201 /nfs/dbraw/zinc/12/82/01/170128201.db2.gz DMWFZKZIZBRDLP-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)cc2C)cc1 ZINC000038072456 173388080 /nfs/dbraw/zinc/38/80/80/173388080.db2.gz RZJVAYLLYSULHT-UHFFFAOYSA-N 1 0 225.335 3.690 10 0 BHAERO Cc1ccc(-c2ccc(C[NH3+])c(F)c2)c(C)c1 ZINC000038072474 178324282 /nfs/dbraw/zinc/32/42/82/178324282.db2.gz BDFBHGOHAGLDCK-UHFFFAOYSA-N 1 0 229.298 3.568 10 0 BHAERO C[NH2+]Cc1cccc(-c2ccc(C)cc2C)c1 ZINC000038072482 343454004 /nfs/dbraw/zinc/45/40/04/343454004.db2.gz VHQFEWPSNUYCED-UHFFFAOYSA-N 1 0 225.335 3.690 10 0 BHAERO C[NH2+]Cc1ccccc1-c1ccc(C)cc1C ZINC000038072490 384245153 /nfs/dbraw/zinc/24/51/53/384245153.db2.gz PPBFCUQQQNRIHT-UHFFFAOYSA-N 1 0 225.335 3.690 10 0 BHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038072556 173418930 /nfs/dbraw/zinc/41/89/30/173418930.db2.gz GATRVRWPVVMNFD-JTQLQIEISA-N 1 0 247.288 3.912 10 0 BHAERO CC[NH2+]Cc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072592 170127833 /nfs/dbraw/zinc/12/78/33/170127833.db2.gz ZMIAXIWGIZKCQQ-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072597 173449455 /nfs/dbraw/zinc/44/94/55/173449455.db2.gz LNJSEDMAWGAAJK-SNVBAGLBSA-N 1 0 247.288 3.912 10 0 BHAERO COc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000038072704 175034394 /nfs/dbraw/zinc/03/43/94/175034394.db2.gz NGIXKIGDQGXFSX-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000038072705 175034103 /nfs/dbraw/zinc/03/41/03/175034103.db2.gz NGIXKIGDQGXFSX-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])c(C)c1 ZINC000038072706 175034930 /nfs/dbraw/zinc/03/49/30/175034930.db2.gz YBUPIUUAWIWEOA-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])c(C)c1 ZINC000038072707 175035314 /nfs/dbraw/zinc/03/53/14/175035314.db2.gz YBUPIUUAWIWEOA-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2cccc([C@@H](C)[NH3+])c2)c(C)c1 ZINC000038072709 175035317 /nfs/dbraw/zinc/03/53/17/175035317.db2.gz KPIUWMDNVDPWHP-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2cccc([C@H](C)[NH3+])c2)c(C)c1 ZINC000038072710 175035321 /nfs/dbraw/zinc/03/53/21/175035321.db2.gz KPIUWMDNVDPWHP-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO CCc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC000038072838 171778448 /nfs/dbraw/zinc/77/84/48/171778448.db2.gz BYXPUCXPWAGOAP-GFCCVEGCSA-N 1 0 225.335 3.936 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000038073000 173388316 /nfs/dbraw/zinc/38/83/16/173388316.db2.gz HXGZYDGYMUSMPP-UHFFFAOYSA-N 1 0 225.335 3.690 10 0 BHAERO Cc1ccc(-c2cc(C[NH3+])ccc2F)cc1C ZINC000038073015 178320008 /nfs/dbraw/zinc/32/00/08/178320008.db2.gz HXVYXRVJKVRYPS-UHFFFAOYSA-N 1 0 229.298 3.568 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(C)c(C)c2)cc1F ZINC000038073030 173388020 /nfs/dbraw/zinc/38/80/20/173388020.db2.gz RAHBZWFCUMYPCD-UHFFFAOYSA-N 1 0 243.325 3.829 10 0 BHAERO COc1ccc(F)cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000038073367 175127686 /nfs/dbraw/zinc/12/76/86/175127686.db2.gz CZHBHKZNNMLANV-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(F)cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000038073368 175127232 /nfs/dbraw/zinc/12/72/32/175127232.db2.gz CZHBHKZNNMLANV-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(F)cc1-c1ccccc1[C@H](C)[NH3+] ZINC000038073370 175127549 /nfs/dbraw/zinc/12/75/49/175127549.db2.gz GNKSPXPTZQVZMO-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(F)cc1-c1ccccc1[C@@H](C)[NH3+] ZINC000038073371 175127165 /nfs/dbraw/zinc/12/71/65/175127165.db2.gz GNKSPXPTZQVZMO-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(F)cc1-c1cccc([C@H](C)[NH3+])c1 ZINC000038073373 175127231 /nfs/dbraw/zinc/12/72/31/175127231.db2.gz IFVYKVKJWAXAJL-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(F)cc1-c1cccc([C@@H](C)[NH3+])c1 ZINC000038073374 175127249 /nfs/dbraw/zinc/12/72/49/175127249.db2.gz IFVYKVKJWAXAJL-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO CC(C)Oc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000038073443 167288935 /nfs/dbraw/zinc/28/89/35/167288935.db2.gz UHUDAWSQUGTQFD-UHFFFAOYSA-N 1 0 241.334 3.600 10 0 BHAERO COc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000038073621 175034021 /nfs/dbraw/zinc/03/40/21/175034021.db2.gz VZNFXFJVUZFAAG-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1C ZINC000038073622 175034147 /nfs/dbraw/zinc/03/41/47/175034147.db2.gz VZNFXFJVUZFAAG-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1C ZINC000038073623 175034911 /nfs/dbraw/zinc/03/49/11/175034911.db2.gz ASFYBULCLJQUOE-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1C ZINC000038073624 175035320 /nfs/dbraw/zinc/03/53/20/175035320.db2.gz ASFYBULCLJQUOE-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cc1C ZINC000038073626 175035026 /nfs/dbraw/zinc/03/50/26/175035026.db2.gz HASSNKAYPSHVMP-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1C ZINC000038073627 175035072 /nfs/dbraw/zinc/03/50/72/175035072.db2.gz HASSNKAYPSHVMP-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1F ZINC000038073690 175035367 /nfs/dbraw/zinc/03/53/67/175035367.db2.gz TXIQKLYBAATDRZ-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1F ZINC000038073691 175035242 /nfs/dbraw/zinc/03/52/42/175035242.db2.gz TXIQKLYBAATDRZ-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2ccc([C@H](C)[NH3+])cc2)c(F)c1 ZINC000038073763 175034135 /nfs/dbraw/zinc/03/41/35/175034135.db2.gz RCISLMTWZJVOBW-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)c(F)c1 ZINC000038073764 175034438 /nfs/dbraw/zinc/03/44/38/175034438.db2.gz RCISLMTWZJVOBW-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])c(F)c1 ZINC000038073766 175034991 /nfs/dbraw/zinc/03/49/91/175034991.db2.gz BJALZWANZRDMQN-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])c(F)c1 ZINC000038073767 175035390 /nfs/dbraw/zinc/03/53/90/175035390.db2.gz BJALZWANZRDMQN-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2cccc([C@H](C)[NH3+])c2)c(F)c1 ZINC000038073769 175035293 /nfs/dbraw/zinc/03/52/93/175035293.db2.gz WCYFERFZGUBJIA-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccc(-c2cccc([C@@H](C)[NH3+])c2)c(F)c1 ZINC000038073770 175035033 /nfs/dbraw/zinc/03/50/33/175035033.db2.gz WCYFERFZGUBJIA-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1cc(C)cc(C)c1 ZINC000038076966 169274548 /nfs/dbraw/zinc/27/45/48/169274548.db2.gz FYFYKXQJRRITES-AWEZNQCLSA-N 1 0 219.372 3.624 10 0 BHAERO CCC[NH2+][C@H](C)CCc1cc(C)cc(C)c1 ZINC000038076967 169286327 /nfs/dbraw/zinc/28/63/27/169286327.db2.gz FYFYKXQJRRITES-CQSZACIVSA-N 1 0 219.372 3.624 10 0 BHAERO C[NH2+][C@H](CCc1cc(C)cc(C)c1)C(C)(C)C ZINC000038076973 173452086 /nfs/dbraw/zinc/45/20/86/173452086.db2.gz DQVZVTHMEKKAIS-OAHLLOKOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](CCc1cc(C)cc(C)c1)C(C)C ZINC000038076982 170144939 /nfs/dbraw/zinc/14/49/39/170144939.db2.gz DYYPOLSZAJCZKX-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](CCc1cc(C)cc(C)c1)C(C)C ZINC000038076983 170162755 /nfs/dbraw/zinc/16/27/55/170162755.db2.gz DYYPOLSZAJCZKX-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000038076992 169276357 /nfs/dbraw/zinc/27/63/57/169276357.db2.gz APDCTQOVFBKKGL-GJZGRUSLSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000038076993 169286280 /nfs/dbraw/zinc/28/62/80/169286280.db2.gz APDCTQOVFBKKGL-LSDHHAIUSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cc(C)cc(C)c1 ZINC000038076994 169276135 /nfs/dbraw/zinc/27/61/35/169276135.db2.gz APDCTQOVFBKKGL-CABCVRRESA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cc(C)cc(C)c1 ZINC000038076995 169285955 /nfs/dbraw/zinc/28/59/55/169285955.db2.gz APDCTQOVFBKKGL-HUUCEWRRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cc(C)cc(C)c1 ZINC000038077004 170158737 /nfs/dbraw/zinc/15/87/37/170158737.db2.gz LXIPPUBKRROFPI-ZBFHGGJFSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cc(C)cc(C)c1 ZINC000038077005 170158637 /nfs/dbraw/zinc/15/86/37/170158637.db2.gz LXIPPUBKRROFPI-GDBMZVCRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(C)cc(C)c1 ZINC000038077006 170139807 /nfs/dbraw/zinc/13/98/07/170139807.db2.gz LXIPPUBKRROFPI-HOCLYGCPSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cc(C)cc(C)c1 ZINC000038077007 170141038 /nfs/dbraw/zinc/14/10/38/170141038.db2.gz LXIPPUBKRROFPI-GOEBONIOSA-N 1 0 233.399 3.870 10 0 BHAERO Cc1cc(C)cc(C[C@@]2([NH3+])CCC[C@H](C)C2)c1 ZINC000038077099 188116571 /nfs/dbraw/zinc/11/65/71/188116571.db2.gz XELPVSNLENPLBJ-BLLLJJGKSA-N 1 0 231.383 3.754 10 0 BHAERO Cc1cc(C)cc(C[C@]2([NH3+])CCCC[C@@H]2C)c1 ZINC000038077105 177903043 /nfs/dbraw/zinc/90/30/43/177903043.db2.gz JHDRNURQQGUVEB-GOEBONIOSA-N 1 0 231.383 3.754 10 0 BHAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2cccc(F)c2)c1 ZINC000038077313 187599872 /nfs/dbraw/zinc/59/98/72/187599872.db2.gz WLVXORNXGYCAHE-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO C[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccs1 ZINC000038077320 173425178 /nfs/dbraw/zinc/42/51/78/173425178.db2.gz HJBFOXCXTUPUCX-AWEZNQCLSA-N 1 0 245.391 3.868 10 0 BHAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccccc2C)c1 ZINC000038077365 177903990 /nfs/dbraw/zinc/90/39/90/177903990.db2.gz TXQXTVBRQKPJTO-KRWDZBQOSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2cc(C)cc(C)c2)c1 ZINC000038077366 187598851 /nfs/dbraw/zinc/59/88/51/187598851.db2.gz WNPILMCJKWVFLD-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO C[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1ccsc1 ZINC000038077410 173425340 /nfs/dbraw/zinc/42/53/40/173425340.db2.gz RLZLKSIKYNJMEN-HNNXBMFYSA-N 1 0 245.391 3.868 10 0 BHAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)c1ccsc1 ZINC000038077411 173453683 /nfs/dbraw/zinc/45/36/83/173453683.db2.gz RLZLKSIKYNJMEN-OAHLLOKOSA-N 1 0 245.391 3.868 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)CC(C)C ZINC000038077434 170146738 /nfs/dbraw/zinc/14/67/38/170146738.db2.gz UUKFEHOKWDPMGI-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)CC(C)C ZINC000038077435 170162409 /nfs/dbraw/zinc/16/24/09/170162409.db2.gz UUKFEHOKWDPMGI-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C(C)C ZINC000038077444 169278867 /nfs/dbraw/zinc/27/88/67/169278867.db2.gz IBWHRPHBVUFNIP-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)cc(C)c1)C(C)C ZINC000038077445 169289327 /nfs/dbraw/zinc/28/93/27/169289327.db2.gz IBWHRPHBVUFNIP-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C1CC1 ZINC000038077476 169279819 /nfs/dbraw/zinc/27/98/19/169279819.db2.gz LIXJGMNYTOVCLD-INIZCTEOSA-N 1 0 231.383 3.624 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)cc(C)c1)C1CC1 ZINC000038077477 169289180 /nfs/dbraw/zinc/28/91/80/169289180.db2.gz LIXJGMNYTOVCLD-MRXNPFEDSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C(C)(C)C ZINC000038077480 170146558 /nfs/dbraw/zinc/14/65/58/170146558.db2.gz GVZJRKNNYZNKLF-HNNXBMFYSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)C(C)(C)C ZINC000038077481 170162738 /nfs/dbraw/zinc/16/27/38/170162738.db2.gz GVZJRKNNYZNKLF-OAHLLOKOSA-N 1 0 233.399 3.870 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccccc2Cl)cc1F ZINC000038078194 173388425 /nfs/dbraw/zinc/38/84/25/173388425.db2.gz IPOIMSQYCJJZAX-UHFFFAOYSA-N 1 0 249.716 3.866 10 0 BHAERO C[NH2+]Cc1cc(-c2ccccc2Cl)ccc1F ZINC000038078247 173386226 /nfs/dbraw/zinc/38/62/26/173386226.db2.gz CVWXCTSQHRMRCY-UHFFFAOYSA-N 1 0 249.716 3.866 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1ccccc1Cl ZINC000038078338 171193451 /nfs/dbraw/zinc/19/34/51/171193451.db2.gz GIXDDGPLIMKCEO-OAHLLOKOSA-N 1 0 245.753 3.952 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1Cl)C(C)C ZINC000038078349 350304815 /nfs/dbraw/zinc/30/48/15/350304815.db2.gz WKRFSXYFAKOFPW-LBPRGKRZSA-N 1 0 211.736 3.560 10 0 BHAERO CC[C@]([NH3+])(c1ccccc1Cl)C(C)C ZINC000038078350 350304744 /nfs/dbraw/zinc/30/47/44/350304744.db2.gz WKRFSXYFAKOFPW-GFCCVEGCSA-N 1 0 211.736 3.560 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078503 179200510 /nfs/dbraw/zinc/20/05/10/179200510.db2.gz INFDIBGKMDUQRM-AWEZNQCLSA-N 1 0 231.726 3.697 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078504 179186747 /nfs/dbraw/zinc/18/67/47/179186747.db2.gz INFDIBGKMDUQRM-CQSZACIVSA-N 1 0 231.726 3.697 10 0 BHAERO [NH3+][C@H](c1ccccc1Cl)C1CCCCC1 ZINC000038078510 181632926 /nfs/dbraw/zinc/63/29/26/181632926.db2.gz FWRNUXHNMGIFRA-ZDUSSCGKSA-N 1 0 223.747 3.920 10 0 BHAERO C[NH2+][C@H](c1ccccc1Cl)C(C)(C)C ZINC000038078631 350305111 /nfs/dbraw/zinc/30/51/11/350305111.db2.gz UGVGLEDNDKFYKE-LLVKDONJSA-N 1 0 211.736 3.647 10 0 BHAERO C[NH2+][C@@H](c1ccccc1Cl)C(C)(C)C ZINC000038078632 350304666 /nfs/dbraw/zinc/30/46/66/350304666.db2.gz UGVGLEDNDKFYKE-NSHDSACASA-N 1 0 211.736 3.647 10 0 BHAERO CC(C)CCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000038093469 384070849 /nfs/dbraw/zinc/07/08/49/384070849.db2.gz OBNBRGYIBPRTPY-CQSZACIVSA-N 1 0 233.355 3.536 10 0 BHAERO CC(C)CCC[NH2+][C@H]1CCOc2ccccc21 ZINC000038093470 387572122 /nfs/dbraw/zinc/57/21/22/387572122.db2.gz OBNBRGYIBPRTPY-AWEZNQCLSA-N 1 0 233.355 3.536 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000038095606 387572094 /nfs/dbraw/zinc/57/20/94/387572094.db2.gz VIADOIBDRFCCKL-CABCVRRESA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000038095607 178889225 /nfs/dbraw/zinc/88/92/25/178889225.db2.gz VIADOIBDRFCCKL-GJZGRUSLSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000038095608 178840123 /nfs/dbraw/zinc/84/01/23/178840123.db2.gz VIADOIBDRFCCKL-HUUCEWRRSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000038095609 387573496 /nfs/dbraw/zinc/57/34/96/387573496.db2.gz VIADOIBDRFCCKL-LSDHHAIUSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000038095758 178839448 /nfs/dbraw/zinc/83/94/48/178839448.db2.gz WQDPLHZJWKIJNL-ZBFHGGJFSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000038095759 178889801 /nfs/dbraw/zinc/88/98/01/178889801.db2.gz WQDPLHZJWKIJNL-HOCLYGCPSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1C ZINC000038095760 387572968 /nfs/dbraw/zinc/57/29/68/387572968.db2.gz WQDPLHZJWKIJNL-GDBMZVCRSA-N 1 0 247.382 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1C ZINC000038095761 387572278 /nfs/dbraw/zinc/57/22/78/387572278.db2.gz WQDPLHZJWKIJNL-GOEBONIOSA-N 1 0 247.382 3.523 10 0 BHAERO CC(C)CC(CC(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095928 166778968 /nfs/dbraw/zinc/77/89/68/166778968.db2.gz GFHGRLFATGCAPM-HNNXBMFYSA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)CC(CC(C)C)[NH2+]CC[C@H]1CCCO1 ZINC000038095929 538965084 /nfs/dbraw/zinc/96/50/84/538965084.db2.gz GFHGRLFATGCAPM-OAHLLOKOSA-N 1 0 241.419 3.606 10 0 BHAERO CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038096012 712807961 /nfs/dbraw/zinc/80/79/61/712807961.db2.gz IYPVKCORGWDRKM-KGLIPLIRSA-N 1 0 227.392 3.504 10 0 BHAERO CCCCCC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038096013 712807962 /nfs/dbraw/zinc/80/79/62/712807962.db2.gz IYPVKCORGWDRKM-KBPBESRZSA-N 1 0 227.392 3.504 10 0 BHAERO CCCCCC[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000038096014 712807817 /nfs/dbraw/zinc/80/78/17/712807817.db2.gz IYPVKCORGWDRKM-ZIAGYGMSSA-N 1 0 227.392 3.504 10 0 BHAERO CCCCCC[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000038096015 712807954 /nfs/dbraw/zinc/80/79/54/712807954.db2.gz IYPVKCORGWDRKM-UONOGXRCSA-N 1 0 227.392 3.504 10 0 BHAERO [NH3+][C@@H](CCCc1ccccc1)Cc1ccccc1 ZINC000038127201 358118225 /nfs/dbraw/zinc/11/82/25/358118225.db2.gz SPODAUAZZPQIJB-KRWDZBQOSA-N 1 0 239.362 3.579 10 0 BHAERO [NH3+][C@H](CCCc1ccccc1)Cc1ccccc1 ZINC000038127202 358118121 /nfs/dbraw/zinc/11/81/21/358118121.db2.gz SPODAUAZZPQIJB-QGZVFWFLSA-N 1 0 239.362 3.579 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2ccccc2Cl)c(C)o1 ZINC000038127433 178262602 /nfs/dbraw/zinc/26/26/02/178262602.db2.gz KGTKOFRCUIOWGB-CQSZACIVSA-N 1 0 249.741 3.792 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2Cl)c(C)o1 ZINC000038127434 178238079 /nfs/dbraw/zinc/23/80/79/178238079.db2.gz KGTKOFRCUIOWGB-AWEZNQCLSA-N 1 0 249.741 3.792 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2ccc(F)cc2)c1C ZINC000038129103 179201046 /nfs/dbraw/zinc/20/10/46/179201046.db2.gz IDKAEZIKNVFFGT-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccc(F)cc2)c1C ZINC000038129104 179186790 /nfs/dbraw/zinc/18/67/90/179186790.db2.gz IDKAEZIKNVFFGT-INIZCTEOSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2ccc(Cl)cc2)c(C)o1 ZINC000038129343 178262285 /nfs/dbraw/zinc/26/22/85/178262285.db2.gz KEFILJISKDXYBB-CQSZACIVSA-N 1 0 249.741 3.792 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2ccc(Cl)cc2)c(C)o1 ZINC000038129344 178237819 /nfs/dbraw/zinc/23/78/19/178237819.db2.gz KEFILJISKDXYBB-AWEZNQCLSA-N 1 0 249.741 3.792 10 0 BHAERO [NH3+][C@@H](Cc1ccccc1F)CC1CCCCC1 ZINC000038129987 181557539 /nfs/dbraw/zinc/55/75/39/181557539.db2.gz ZCLNMZVFCVQYNR-CQSZACIVSA-N 1 0 235.346 3.666 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2C)c1C ZINC000038130069 179291946 /nfs/dbraw/zinc/29/19/46/179291946.db2.gz VXTNLDLXORVUDZ-KRWDZBQOSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2C)c1C ZINC000038130070 179290214 /nfs/dbraw/zinc/29/02/14/179290214.db2.gz VXTNLDLXORVUDZ-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000038130095 179291808 /nfs/dbraw/zinc/29/18/08/179291808.db2.gz GJQNJMATQQHKLY-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccccc1C[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000038130096 179290097 /nfs/dbraw/zinc/29/00/97/179290097.db2.gz GJQNJMATQQHKLY-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO CCC[NH2+][C@@H](C)Cc1ccc2ccccc2c1 ZINC000038130487 169275411 /nfs/dbraw/zinc/27/54/11/169275411.db2.gz BBTKZEYTTNNTOE-ZDUSSCGKSA-N 1 0 227.351 3.770 10 0 BHAERO CCC[NH2+][C@H](C)Cc1ccc2ccccc2c1 ZINC000038130488 169286193 /nfs/dbraw/zinc/28/61/93/169286193.db2.gz BBTKZEYTTNNTOE-CYBMUJFWSA-N 1 0 227.351 3.770 10 0 BHAERO CCCCC[C@H](Cc1ccc(OC)cc1)[NH2+]CC ZINC000038133470 168745574 /nfs/dbraw/zinc/74/55/74/168745574.db2.gz MEOWBOFZSJFOEU-OAHLLOKOSA-N 1 0 249.398 3.796 10 0 BHAERO CCCC[C@H](Cc1ccc(OC)cc1)[NH2+]CCC ZINC000038133540 169005743 /nfs/dbraw/zinc/00/57/43/169005743.db2.gz WLIBQOGRHWIZFM-OAHLLOKOSA-N 1 0 249.398 3.796 10 0 BHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)oc1C ZINC000038134099 173454576 /nfs/dbraw/zinc/45/45/76/173454576.db2.gz VAEBMNCJAJQVPY-OAHLLOKOSA-N 1 0 247.313 3.539 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000038134213 170146593 /nfs/dbraw/zinc/14/65/93/170146593.db2.gz GYDYCFGFVHXSSS-AWEZNQCLSA-N 1 0 247.313 3.620 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000038134214 170162351 /nfs/dbraw/zinc/16/23/51/170162351.db2.gz GYDYCFGFVHXSSS-CQSZACIVSA-N 1 0 247.313 3.620 10 0 BHAERO CCCC[C@H](Cc1ccc(F)cc1)[NH2+]CCC ZINC000038134246 169006119 /nfs/dbraw/zinc/00/61/19/169006119.db2.gz ICUAPADVGCRSBN-OAHLLOKOSA-N 1 0 237.362 3.927 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccc1OC)CC(C)C ZINC000038135199 169279025 /nfs/dbraw/zinc/27/90/25/169279025.db2.gz ANHNRKLLWFLCFV-OAHLLOKOSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccc1OC)CC(C)C ZINC000038135200 169289812 /nfs/dbraw/zinc/28/98/12/169289812.db2.gz ANHNRKLLWFLCFV-HNNXBMFYSA-N 1 0 249.398 3.652 10 0 BHAERO CCCC[C@@H](Cc1ccccc1OC)[NH2+]CCC ZINC000038135215 168967239 /nfs/dbraw/zinc/96/72/39/168967239.db2.gz NBHOSYHWXLJBLQ-HNNXBMFYSA-N 1 0 249.398 3.796 10 0 BHAERO CCCC[C@H](Cc1ccccc1OC)[NH2+]CCC ZINC000038135216 169006443 /nfs/dbraw/zinc/00/64/43/169006443.db2.gz NBHOSYHWXLJBLQ-OAHLLOKOSA-N 1 0 249.398 3.796 10 0 BHAERO C[NH2+][C@H](Cc1cccc(F)c1)c1sccc1C ZINC000038135393 173454175 /nfs/dbraw/zinc/45/41/75/173454175.db2.gz PGKUQEBJDCQFFP-CYBMUJFWSA-N 1 0 249.354 3.699 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(C)o1 ZINC000038135505 170145727 /nfs/dbraw/zinc/14/57/27/170145727.db2.gz XCJUFWUJLCSDMD-AWEZNQCLSA-N 1 0 247.313 3.620 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(C)o1 ZINC000038135506 170162585 /nfs/dbraw/zinc/16/25/85/170162585.db2.gz XCJUFWUJLCSDMD-CQSZACIVSA-N 1 0 247.313 3.620 10 0 BHAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1ccco1 ZINC000038135557 169278883 /nfs/dbraw/zinc/27/88/83/169278883.db2.gz LIHLKTWQRDOTDW-AWEZNQCLSA-N 1 0 247.313 3.702 10 0 BHAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1ccco1 ZINC000038135558 169289814 /nfs/dbraw/zinc/28/98/14/169289814.db2.gz LIHLKTWQRDOTDW-CQSZACIVSA-N 1 0 247.313 3.702 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1F)c1ccc(C)o1 ZINC000038135803 170146395 /nfs/dbraw/zinc/14/63/95/170146395.db2.gz SNQDZCRUMHWWPW-AWEZNQCLSA-N 1 0 247.313 3.620 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1F)c1ccc(C)o1 ZINC000038135804 170162992 /nfs/dbraw/zinc/16/29/92/170162992.db2.gz SNQDZCRUMHWWPW-CQSZACIVSA-N 1 0 247.313 3.620 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1C)c1ccc(C)o1 ZINC000038136065 170146885 /nfs/dbraw/zinc/14/68/85/170146885.db2.gz CVAQZGDIDTXTTD-HNNXBMFYSA-N 1 0 243.350 3.790 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1C)c1ccc(C)o1 ZINC000038136066 170163145 /nfs/dbraw/zinc/16/31/45/170163145.db2.gz CVAQZGDIDTXTTD-OAHLLOKOSA-N 1 0 243.350 3.790 10 0 BHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cc(C)oc1C ZINC000038136214 173453886 /nfs/dbraw/zinc/45/38/86/173453886.db2.gz NNMLEVAJYOWMKT-MRXNPFEDSA-N 1 0 243.350 3.708 10 0 BHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1sccc1C ZINC000038136220 173453540 /nfs/dbraw/zinc/45/35/40/173453540.db2.gz GENFMAXGVBCKQA-CQSZACIVSA-N 1 0 245.391 3.868 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(C)o1 ZINC000038136303 170145835 /nfs/dbraw/zinc/14/58/35/170145835.db2.gz ROXSSCJSDJHIIF-HNNXBMFYSA-N 1 0 243.350 3.790 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)o1 ZINC000038136304 170162199 /nfs/dbraw/zinc/16/21/99/170162199.db2.gz ROXSSCJSDJHIIF-OAHLLOKOSA-N 1 0 243.350 3.790 10 0 BHAERO C[NH2+][C@@H](Cc1ccccc1)CC1CCCCC1 ZINC000038136427 173426144 /nfs/dbraw/zinc/42/61/44/173426144.db2.gz SADQQEQJJLMCFU-INIZCTEOSA-N 1 0 231.383 3.788 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(C)o1 ZINC000038136669 169279340 /nfs/dbraw/zinc/27/93/40/169279340.db2.gz BKKAJZFSGURFLR-HNNXBMFYSA-N 1 0 243.350 3.871 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(C)o1 ZINC000038136670 169289854 /nfs/dbraw/zinc/28/98/54/169289854.db2.gz BKKAJZFSGURFLR-OAHLLOKOSA-N 1 0 243.350 3.871 10 0 BHAERO Cc1cc2c(s1)C[N@H+](C)C[C@@H]2c1ccccc1 ZINC000038157566 178292630 /nfs/dbraw/zinc/29/26/30/178292630.db2.gz GNUBZKDKVVIDIW-CQSZACIVSA-N 1 0 243.375 3.634 10 0 BHAERO Cc1cc2c(s1)C[N@H+](C)C[C@H]2c1ccccc1 ZINC000038157567 178293576 /nfs/dbraw/zinc/29/35/76/178293576.db2.gz GNUBZKDKVVIDIW-AWEZNQCLSA-N 1 0 243.375 3.634 10 0 BHAERO Oc1ccc(Nc2ccnc3ccccc32)cc1 ZINC000038221821 347160248 /nfs/dbraw/zinc/16/02/48/347160248.db2.gz SQGGKXXNTPWRPH-UHFFFAOYSA-N 1 0 236.274 3.684 10 0 BHAERO c1c2ccccc2oc1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000038235638 368325023 /nfs/dbraw/zinc/32/50/23/368325023.db2.gz SOFZYEOTERJVNQ-OAHLLOKOSA-N 1 0 249.313 3.668 10 0 BHAERO c1c2ccccc2oc1[C@H]1C[NH2+]Cc2ccccc21 ZINC000038235640 368325558 /nfs/dbraw/zinc/32/55/58/368325558.db2.gz SOFZYEOTERJVNQ-HNNXBMFYSA-N 1 0 249.313 3.668 10 0 BHAERO CC(C)([NH3+])CNc1ccc(-c2ccccc2)cc1 ZINC000038313707 188291005 /nfs/dbraw/zinc/29/10/05/188291005.db2.gz SMBLUMCMPNWDMW-UHFFFAOYSA-N 1 0 240.350 3.503 10 0 BHAERO C[C@H]([NH3+])Cc1cn(C2CCCC2)c2ccccc12 ZINC000038418289 368326557 /nfs/dbraw/zinc/32/65/57/368326557.db2.gz MHMOATLDZNYFPP-LBPRGKRZSA-N 1 0 242.366 3.646 10 0 BHAERO C[C@@H]([NH3+])Cc1cn(C2CCCC2)c2ccccc12 ZINC000038418290 368326432 /nfs/dbraw/zinc/32/64/32/368326432.db2.gz MHMOATLDZNYFPP-GFCCVEGCSA-N 1 0 242.366 3.646 10 0 BHAERO CCc1ccc(C)[n+](Cc2ccc(Cl)cc2)c1 ZINC000038645241 343377965 /nfs/dbraw/zinc/37/79/65/343377965.db2.gz LAEJYNBSEFGKOS-UHFFFAOYSA-N 1 0 246.761 3.547 10 0 BHAERO CCCc1cc(C)nc(CC)c1CCC ZINC000038812417 343379372 /nfs/dbraw/zinc/37/93/72/343379372.db2.gz VXVBDGAOTLGTTF-UHFFFAOYSA-N 1 0 205.345 3.857 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2cc3ccccc3[nH]2)c1 ZINC000038813508 347167819 /nfs/dbraw/zinc/16/78/19/347167819.db2.gz XYPBFVMAEVVTGO-INIZCTEOSA-N 1 0 236.318 3.524 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2cc3ccccc3[nH]2)c1 ZINC000038813509 347167446 /nfs/dbraw/zinc/16/74/46/347167446.db2.gz XYPBFVMAEVVTGO-MRXNPFEDSA-N 1 0 236.318 3.524 10 0 BHAERO Clc1ccc2c(c1)CCC([NH+]1CCCC1)=C2 ZINC000038868498 343308478 /nfs/dbraw/zinc/30/84/78/343308478.db2.gz XFZOWALKXPPPDD-UHFFFAOYSA-N 1 0 233.742 3.723 10 0 BHAERO C[C@@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000038879945 358207522 /nfs/dbraw/zinc/20/75/22/358207522.db2.gz YSCGHIJDKVTDSJ-ZDUSSCGKSA-N 1 0 217.356 3.540 10 0 BHAERO C[C@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000038879946 358208072 /nfs/dbraw/zinc/20/80/72/358208072.db2.gz YSCGHIJDKVTDSJ-CYBMUJFWSA-N 1 0 217.356 3.540 10 0 BHAERO [NH2+]=C(Nc1ccccc1)C1CCCCC1 ZINC000039039519 344742516 /nfs/dbraw/zinc/74/25/16/344742516.db2.gz SPKHGZRKYFOKSN-UHFFFAOYSA-N 1 0 202.301 3.656 10 0 BHAERO CCc1cccc(CC)c1NC(=[NH2+])SC ZINC000039102343 384104058 /nfs/dbraw/zinc/10/40/58/384104058.db2.gz QFVZJCYWBGKKAM-UHFFFAOYSA-N 1 0 222.357 3.521 10 0 BHAERO CCC1=C(C)/C(=C/c2ccc(O)cc2)[NH+]=C1C ZINC000039102729 187429737 /nfs/dbraw/zinc/42/97/37/187429737.db2.gz HCGSNSFXQIWHPR-DHDCSXOGSA-N 1 0 227.307 3.934 10 0 BHAERO CC[N@@H+]1CC=C(c2c(C)cccc2C)[C@H](C)C1 ZINC000039102826 343384511 /nfs/dbraw/zinc/38/45/11/343384511.db2.gz SZDBASGFRQFYEL-CQSZACIVSA-N 1 0 229.367 3.658 10 0 BHAERO CC[N@@H+]1CC=C(c2c(C)cccc2C)[C@@H](C)C1 ZINC000039102827 343384533 /nfs/dbraw/zinc/38/45/33/343384533.db2.gz SZDBASGFRQFYEL-AWEZNQCLSA-N 1 0 229.367 3.658 10 0 BHAERO CC[NH+]1CCC(c2cc3ccccc3o2)CC1 ZINC000039102865 343384390 /nfs/dbraw/zinc/38/43/90/343384390.db2.gz NVWJQPPFHCZGBS-UHFFFAOYSA-N 1 0 229.323 3.632 10 0 BHAERO CCSC1=CC(C)(C)[N@H+](C)C(C)(C)C1 ZINC000039109360 343385012 /nfs/dbraw/zinc/38/50/12/343385012.db2.gz CVYFGOPLSPXIEM-UHFFFAOYSA-N 1 0 213.390 3.516 10 0 BHAERO Cc1cc(C)c(/C=C/C2CC[NH2+]CC2)c(C)c1 ZINC000039111179 384106338 /nfs/dbraw/zinc/10/63/38/384106338.db2.gz QATVUJCOJVIYRV-SNAWJCMRSA-N 1 0 229.367 3.625 10 0 BHAERO N#[N+]c1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000039119523 188476473 /nfs/dbraw/zinc/47/64/73/188476473.db2.gz AHELEDUNQGRHIW-UHFFFAOYSA-N 1 0 249.249 3.945 10 0 BHAERO CC(C)(C)SC[C@@H]([NH3+])CC1CCCCC1 ZINC000039170459 347182585 /nfs/dbraw/zinc/18/25/85/347182585.db2.gz OSXOZCLFMDNWDH-LBPRGKRZSA-N 1 0 229.433 3.816 10 0 BHAERO CCOC(=N)Cc1ccc(C(C)(C)C)cc1 ZINC000039186618 368328680 /nfs/dbraw/zinc/32/86/80/368328680.db2.gz KYEDBAHSCZSTFX-UHFFFAOYSA-N 1 0 219.328 3.540 10 0 BHAERO C1=C(CCC[NH+]2CCCCC2)c2ccccc2C1 ZINC000039219923 347185164 /nfs/dbraw/zinc/18/51/64/347185164.db2.gz KNFDBUQREWFBBK-UHFFFAOYSA-N 1 0 241.378 3.892 10 0 BHAERO c1ccc([C@@H]2c3ccccc3[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000039223536 387489507 /nfs/dbraw/zinc/48/95/07/387489507.db2.gz BREMVKXMHGWYKJ-RYQLBKOJSA-N 1 0 249.357 3.525 10 0 BHAERO c1ccc(Cc2ccccc2C2=CC[NH2+]CC2)cc1 ZINC000039244730 358224533 /nfs/dbraw/zinc/22/45/33/358224533.db2.gz KQOOIOMOHDWOOP-UHFFFAOYSA-N 1 0 249.357 3.654 10 0 BHAERO CC(C)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000039246681 384643766 /nfs/dbraw/zinc/64/37/66/384643766.db2.gz WMADBGMWCPNXKN-JTQLQIEISA-N 1 0 218.127 3.649 10 0 BHAERO CC(C)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000039246682 384645853 /nfs/dbraw/zinc/64/58/53/384645853.db2.gz WMADBGMWCPNXKN-SNVBAGLBSA-N 1 0 218.127 3.649 10 0 BHAERO [NH3+]C1(c2ccccc2)CCCCCCC1 ZINC000039370221 358223237 /nfs/dbraw/zinc/22/32/37/358223237.db2.gz YPWCEHZEOKFJEI-UHFFFAOYSA-N 1 0 203.329 3.585 10 0 BHAERO C1CC2(CCCCC2)[NH2+]C12CCCCC2 ZINC000039629809 187255787 /nfs/dbraw/zinc/25/57/87/187255787.db2.gz LQADISGKSXGYNL-UHFFFAOYSA-N 1 0 207.361 3.776 10 0 BHAERO CCCC[C@@H](CC)CNc1cc[nH+]cc1 ZINC000039643365 358227252 /nfs/dbraw/zinc/22/72/52/358227252.db2.gz YHQCHZODALNVAE-GFCCVEGCSA-N 1 0 206.333 3.710 10 0 BHAERO CCCC[C@H](CC)CNc1cc[nH+]cc1 ZINC000039643366 358227075 /nfs/dbraw/zinc/22/70/75/358227075.db2.gz YHQCHZODALNVAE-LBPRGKRZSA-N 1 0 206.333 3.710 10 0 BHAERO CC(C)(C)[NH2+]Cc1cc2ccccc2s1 ZINC000040222751 322830237 /nfs/dbraw/zinc/83/02/37/322830237.db2.gz HEDKTBNGICGIMC-UHFFFAOYSA-N 1 0 219.353 3.789 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(Br)s1 ZINC000040236341 355823478 /nfs/dbraw/zinc/82/34/78/355823478.db2.gz BJJWKMGIWCRQII-MUWHJKNJSA-N 1 0 248.189 3.557 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1ccc(Br)s1 ZINC000040236343 355823523 /nfs/dbraw/zinc/82/35/23/355823523.db2.gz BJJWKMGIWCRQII-RCOVLWMOSA-N 1 0 248.189 3.557 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Br)s1 ZINC000040236345 355823265 /nfs/dbraw/zinc/82/32/65/355823265.db2.gz BJJWKMGIWCRQII-HZGVNTEJSA-N 1 0 248.189 3.557 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Br)s1 ZINC000040236347 355823606 /nfs/dbraw/zinc/82/36/06/355823606.db2.gz BJJWKMGIWCRQII-IMTBSYHQSA-N 1 0 248.189 3.557 10 0 BHAERO COc1ccc([C@H]([NH2+]CC(C)(C)C)C2CC2)cc1 ZINC000040492974 322832787 /nfs/dbraw/zinc/83/27/87/322832787.db2.gz LUFGAYZGMMMYAZ-OAHLLOKOSA-N 1 0 247.382 3.782 10 0 BHAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000040500613 384579094 /nfs/dbraw/zinc/57/90/94/384579094.db2.gz LTRWMFAQKWOKAZ-KGLIPLIRSA-N 1 0 231.383 3.704 10 0 BHAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000040500614 322832848 /nfs/dbraw/zinc/83/28/48/322832848.db2.gz LTRWMFAQKWOKAZ-KBPBESRZSA-N 1 0 231.383 3.704 10 0 BHAERO Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000040500615 322832885 /nfs/dbraw/zinc/83/28/85/322832885.db2.gz LTRWMFAQKWOKAZ-ZIAGYGMSSA-N 1 0 231.383 3.704 10 0 BHAERO Cc1cccc(CC[C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000040500616 322832929 /nfs/dbraw/zinc/83/29/29/322832929.db2.gz LTRWMFAQKWOKAZ-UONOGXRCSA-N 1 0 231.383 3.704 10 0 BHAERO CCCCOCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000040506544 322833314 /nfs/dbraw/zinc/83/33/14/322833314.db2.gz XOZJDMXFQJAZMY-UONOGXRCSA-N 1 0 241.419 3.608 10 0 BHAERO CCCCOCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000040506546 322833119 /nfs/dbraw/zinc/83/31/19/322833119.db2.gz XOZJDMXFQJAZMY-KBPBESRZSA-N 1 0 241.419 3.608 10 0 BHAERO CCCCOCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000040506547 384577926 /nfs/dbraw/zinc/57/79/26/384577926.db2.gz XOZJDMXFQJAZMY-ZIAGYGMSSA-N 1 0 241.419 3.608 10 0 BHAERO CCCCOCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000040506549 322833333 /nfs/dbraw/zinc/83/33/33/322833333.db2.gz XOZJDMXFQJAZMY-KGLIPLIRSA-N 1 0 241.419 3.608 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(C)C ZINC000040518244 171538926 /nfs/dbraw/zinc/53/89/26/171538926.db2.gz DEWTYGGRQJMKNX-JQWIXIFHSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(C)C ZINC000040518245 358494118 /nfs/dbraw/zinc/49/41/18/358494118.db2.gz DEWTYGGRQJMKNX-CMPLNLGQSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)C(C)C ZINC000040518246 358494360 /nfs/dbraw/zinc/49/43/60/358494360.db2.gz DEWTYGGRQJMKNX-PWSUYJOCSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)C(C)C ZINC000040518247 358493792 /nfs/dbraw/zinc/49/37/92/358493792.db2.gz DEWTYGGRQJMKNX-ZYHUDNBSSA-N 1 0 240.416 3.845 10 0 BHAERO Cc1ccc(Sc2ccc(C[NH3+])s2)cc1 ZINC000040541652 388420673 /nfs/dbraw/zinc/42/06/73/388420673.db2.gz ASNKRLDAMNYCJB-UHFFFAOYSA-N 1 0 235.377 3.666 10 0 BHAERO CCC[C@H]([NH3+])CCSc1ccc(C)cc1 ZINC000040542059 169504814 /nfs/dbraw/zinc/50/48/14/169504814.db2.gz DPTPRNNKUKBNQE-LBPRGKRZSA-N 1 0 223.385 3.605 10 0 BHAERO CCC[C@@H]([NH3+])CCSc1ccc(C)cc1 ZINC000040542061 169393109 /nfs/dbraw/zinc/39/31/09/169393109.db2.gz DPTPRNNKUKBNQE-GFCCVEGCSA-N 1 0 223.385 3.605 10 0 BHAERO CC[C@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542067 171484079 /nfs/dbraw/zinc/48/40/79/171484079.db2.gz LOOMKRASJQQGTH-JTQLQIEISA-N 1 0 229.776 3.560 10 0 BHAERO CC[C@@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542069 388420605 /nfs/dbraw/zinc/42/06/05/388420605.db2.gz LOOMKRASJQQGTH-SNVBAGLBSA-N 1 0 229.776 3.560 10 0 BHAERO CCC[C@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542071 342972462 /nfs/dbraw/zinc/97/24/62/342972462.db2.gz ISFCUKMGJMOTGS-NSHDSACASA-N 1 0 243.803 3.950 10 0 BHAERO CCC[C@@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542073 169393322 /nfs/dbraw/zinc/39/33/22/169393322.db2.gz ISFCUKMGJMOTGS-LLVKDONJSA-N 1 0 243.803 3.950 10 0 BHAERO c1ccc2c(c1)sc1ccc3c(c12)C[NH2+]CC3 ZINC000040631752 387499218 /nfs/dbraw/zinc/49/92/18/387499218.db2.gz PWDIKIPQYRIZSK-UHFFFAOYSA-N 1 0 239.343 3.700 10 0 BHAERO CCC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccccc1 ZINC000040774740 358499723 /nfs/dbraw/zinc/49/97/23/358499723.db2.gz YXYRUBBQKVJTFZ-HOTGVXAUSA-N 1 0 249.398 3.524 10 0 BHAERO CCC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccccc1 ZINC000040774742 387584723 /nfs/dbraw/zinc/58/47/23/387584723.db2.gz YXYRUBBQKVJTFZ-JKSUJKDBSA-N 1 0 249.398 3.524 10 0 BHAERO CCC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccccc1 ZINC000040774743 169512221 /nfs/dbraw/zinc/51/22/21/169512221.db2.gz YXYRUBBQKVJTFZ-CVEARBPZSA-N 1 0 249.398 3.524 10 0 BHAERO CCC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccccc1 ZINC000040774745 169403746 /nfs/dbraw/zinc/40/37/46/169403746.db2.gz YXYRUBBQKVJTFZ-HZPDHXFCSA-N 1 0 249.398 3.524 10 0 BHAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933838 373935680 /nfs/dbraw/zinc/93/56/80/373935680.db2.gz FYNOOEQKZUQHGF-OUAIYISWSA-N 1 0 230.138 3.649 10 0 BHAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933842 373936244 /nfs/dbraw/zinc/93/62/44/373936244.db2.gz FYNOOEQKZUQHGF-KNBVPPQFSA-N 1 0 230.138 3.649 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)cc1Cl)C1CC1 ZINC000040940827 373958191 /nfs/dbraw/zinc/95/81/91/373958191.db2.gz STWINHQTTUFSKM-LLVKDONJSA-N 1 0 230.138 3.664 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)cc1Cl)C1CC1 ZINC000040940828 373958006 /nfs/dbraw/zinc/95/80/06/373958006.db2.gz STWINHQTTUFSKM-NSHDSACASA-N 1 0 230.138 3.664 10 0 BHAERO Cc1ccc(-c2nc(C)c([C@@H](C)[NH3+])s2)s1 ZINC000040995009 178332686 /nfs/dbraw/zinc/33/26/86/178332686.db2.gz ZRXNNISEEZAQGC-SSDOTTSWSA-N 1 0 238.381 3.508 10 0 BHAERO Cc1ccc(-c2nc(C)c([C@H](C)[NH3+])s2)s1 ZINC000040995011 178333283 /nfs/dbraw/zinc/33/32/83/178333283.db2.gz ZRXNNISEEZAQGC-ZETCQYMHSA-N 1 0 238.381 3.508 10 0 BHAERO Cc1ccccc1-c1ncc(C[NH2+]C(C)C)s1 ZINC000040996715 179239381 /nfs/dbraw/zinc/23/93/81/179239381.db2.gz VCAIJJZRBKYCHO-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO Cc1ccccc1-c1nc(C[NH2+]C(C)C)cs1 ZINC000040999683 179238650 /nfs/dbraw/zinc/23/86/50/179238650.db2.gz IVQGHWVZFMOMTL-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO CC(C)[NH2+]Cc1csc(C2CCCCC2)n1 ZINC000040999688 167120830 /nfs/dbraw/zinc/12/08/30/167120830.db2.gz MFLYHIUZATZHCB-UHFFFAOYSA-N 1 0 238.400 3.689 10 0 BHAERO CC(C)(C)c1ccc(-c2nc(C[NH3+])cs2)cc1 ZINC000040999785 188117843 /nfs/dbraw/zinc/11/78/43/188117843.db2.gz KPUPCPQILGSFIV-UHFFFAOYSA-N 1 0 246.379 3.566 10 0 BHAERO C[C@@H](CC[NH3+])Sc1ccc2ccccc2c1 ZINC000041042977 175673756 /nfs/dbraw/zinc/67/37/56/175673756.db2.gz GCGCSAKEYQTIDB-NSHDSACASA-N 1 0 231.364 3.669 10 0 BHAERO CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000041051371 636959375 /nfs/dbraw/zinc/95/93/75/636959375.db2.gz ZLGBKXHLQKNOMI-VHSXEESVSA-N 1 0 237.309 3.743 10 0 BHAERO CC(C)(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000041051372 636958569 /nfs/dbraw/zinc/95/85/69/636958569.db2.gz ZLGBKXHLQKNOMI-UWVGGRQHSA-N 1 0 237.309 3.743 10 0 BHAERO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000041051373 636959904 /nfs/dbraw/zinc/95/99/04/636959904.db2.gz ZLGBKXHLQKNOMI-NXEZZACHSA-N 1 0 237.309 3.743 10 0 BHAERO CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000041051374 636960006 /nfs/dbraw/zinc/96/00/06/636960006.db2.gz ZLGBKXHLQKNOMI-ZJUUUORDSA-N 1 0 237.309 3.743 10 0 BHAERO CCC[C@@H]([NH3+])c1nc(-c2ccc(C)o2)cs1 ZINC000041059317 169393431 /nfs/dbraw/zinc/39/34/31/169393431.db2.gz MWRYQZBQDHKMON-SECBINFHSA-N 1 0 236.340 3.511 10 0 BHAERO CCC[C@@H]([NH3+])c1nc2c(s1)CCCCCC2 ZINC000041059321 169393819 /nfs/dbraw/zinc/39/38/19/169393819.db2.gz RCJPDUAXSFLPLN-SNVBAGLBSA-N 1 0 238.400 3.602 10 0 BHAERO Cc1nc([C@](C)([NH3+])C2CCCCC2)sc1C ZINC000041060012 180057937 /nfs/dbraw/zinc/05/79/37/180057937.db2.gz GNZLMZHUJJUAAF-CYBMUJFWSA-N 1 0 238.400 3.514 10 0 BHAERO Cc1nc([C@@](C)([NH3+])C2CCCCC2)sc1C ZINC000041060013 180044894 /nfs/dbraw/zinc/04/48/94/180044894.db2.gz GNZLMZHUJJUAAF-ZDUSSCGKSA-N 1 0 238.400 3.514 10 0 BHAERO C[NH2+]C1(c2nc(C)c(C)s2)CCCCCC1 ZINC000041060604 173321882 /nfs/dbraw/zinc/32/18/82/173321882.db2.gz IYKSOICPTMUISL-UHFFFAOYSA-N 1 0 238.400 3.529 10 0 BHAERO CC[NH2+]C1(c2nc(C)c(C)s2)CCCCC1 ZINC000041061121 170108786 /nfs/dbraw/zinc/10/87/86/170108786.db2.gz OOKNNIVNZGCLIV-UHFFFAOYSA-N 1 0 238.400 3.529 10 0 BHAERO CCC[NH2+]C1(c2nc(C)c(C)s2)CCCC1 ZINC000041061450 169254699 /nfs/dbraw/zinc/25/46/99/169254699.db2.gz NLISZSVQBFEZIU-UHFFFAOYSA-N 1 0 238.400 3.529 10 0 BHAERO Cc1nc([C@](C)([NH2+]C(C)C)C(C)C)sc1C ZINC000041061659 180057141 /nfs/dbraw/zinc/05/71/41/180057141.db2.gz HODRSZWCHZIMFG-CYBMUJFWSA-N 1 0 240.416 3.629 10 0 BHAERO Cc1nc([C@@](C)([NH2+]C(C)C)C(C)C)sc1C ZINC000041061660 180047859 /nfs/dbraw/zinc/04/78/59/180047859.db2.gz HODRSZWCHZIMFG-ZDUSSCGKSA-N 1 0 240.416 3.629 10 0 BHAERO Cc1nc([C@H]([NH2+]C(C)C)C(C)(C)C)sc1C ZINC000041061683 180054618 /nfs/dbraw/zinc/05/46/18/180054618.db2.gz IUMOPZYNTIZGMH-NSHDSACASA-N 1 0 240.416 3.845 10 0 BHAERO Cc1nc([C@@H]([NH2+]C(C)C)C(C)(C)C)sc1C ZINC000041061684 180042606 /nfs/dbraw/zinc/04/26/06/180042606.db2.gz IUMOPZYNTIZGMH-LLVKDONJSA-N 1 0 240.416 3.845 10 0 BHAERO Cc1nc([C@H]([NH2+]C2CC2)C(C)(C)C)sc1C ZINC000041061917 180055622 /nfs/dbraw/zinc/05/56/22/180055622.db2.gz XNRJKSCYHURQQM-NSHDSACASA-N 1 0 238.400 3.599 10 0 BHAERO Cc1nc([C@@H]([NH2+]C2CC2)C(C)(C)C)sc1C ZINC000041061918 180042624 /nfs/dbraw/zinc/04/26/24/180042624.db2.gz XNRJKSCYHURQQM-LLVKDONJSA-N 1 0 238.400 3.599 10 0 BHAERO CCC[NH+](CCC)CC[C@H](O)c1ccc(C)cc1 ZINC000041144727 169147000 /nfs/dbraw/zinc/14/70/00/169147000.db2.gz GOZVOOORSXAAMI-INIZCTEOSA-N 1 0 249.398 3.541 10 0 BHAERO CCC[NH+](CCC)CC[C@@H](O)c1ccc(C)cc1 ZINC000041144728 169147589 /nfs/dbraw/zinc/14/75/89/169147589.db2.gz GOZVOOORSXAAMI-MRXNPFEDSA-N 1 0 249.398 3.541 10 0 BHAERO CCc1ccc(-c2nc([C@@H](C)[NH3+])sc2C)cc1 ZINC000041162306 352608180 /nfs/dbraw/zinc/60/81/80/352608180.db2.gz FAZPZBIYVHPDGI-SECBINFHSA-N 1 0 246.379 3.701 10 0 BHAERO CCC[C@@H]([NH3+])c1nc(-c2ccccc2C)cs1 ZINC000041162493 169393403 /nfs/dbraw/zinc/39/34/03/169393403.db2.gz PQGCVQRCGQJAEZ-GFCCVEGCSA-N 1 0 246.379 3.918 10 0 BHAERO CCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2)cs1 ZINC000041162703 169393945 /nfs/dbraw/zinc/39/39/45/169393945.db2.gz ZAVUTAOSBGMNFV-GFCCVEGCSA-N 1 0 246.379 3.918 10 0 BHAERO Cc1ccccc1-c1csc([C@@H]([NH3+])C(C)C)n1 ZINC000041162816 179237209 /nfs/dbraw/zinc/23/72/09/179237209.db2.gz QVZIAUZAKSPOKE-ZDUSSCGKSA-N 1 0 246.379 3.774 10 0 BHAERO Cc1ccc(-c2csc(C(C)(C)[NH3+])n2)cc1C ZINC000041163411 178329917 /nfs/dbraw/zinc/32/99/17/178329917.db2.gz DLISGBZHBBKMSN-UHFFFAOYSA-N 1 0 246.379 3.621 10 0 BHAERO Cc1ccc(-c2csc(C(C)(C)[NH3+])n2)c(C)c1 ZINC000041163472 178330018 /nfs/dbraw/zinc/33/00/18/178330018.db2.gz STAHUHRTEKFOMS-UHFFFAOYSA-N 1 0 246.379 3.621 10 0 BHAERO Cc1csc([C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000041182072 179794273 /nfs/dbraw/zinc/79/42/73/179794273.db2.gz QOKAKLRHPQLXKK-ZDUSSCGKSA-N 1 0 246.379 3.623 10 0 BHAERO C/C(=C\CC[NH3+])c1ccc(C(C)C)cc1 ZINC000041212221 188322741 /nfs/dbraw/zinc/32/27/41/188322741.db2.gz HRVCFIDRCBUSRJ-LFYBBSHMSA-N 1 0 203.329 3.562 10 0 BHAERO CCC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000041229571 169505007 /nfs/dbraw/zinc/50/50/07/169505007.db2.gz GBZCRIIEMXTCPY-JTQLQIEISA-N 1 0 217.234 3.505 10 0 BHAERO CCC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000041229573 169393805 /nfs/dbraw/zinc/39/38/05/169393805.db2.gz GBZCRIIEMXTCPY-SNVBAGLBSA-N 1 0 217.234 3.505 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041229595 361464819 /nfs/dbraw/zinc/46/48/19/361464819.db2.gz BJCDMWISPSWROB-JTQLQIEISA-N 1 0 217.234 3.505 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041229597 169394236 /nfs/dbraw/zinc/39/42/36/169394236.db2.gz BJCDMWISPSWROB-SNVBAGLBSA-N 1 0 217.234 3.505 10 0 BHAERO C[NH2+]C[C@@H](c1ccccc1)C1CCCCC1 ZINC000041230513 173367089 /nfs/dbraw/zinc/36/70/89/173367089.db2.gz CKCPDYFJMZGBNG-HNNXBMFYSA-N 1 0 217.356 3.570 10 0 BHAERO C[NH2+]C[C@H](c1ccccc1)C1CCCCC1 ZINC000041230515 173378122 /nfs/dbraw/zinc/37/81/22/173378122.db2.gz CKCPDYFJMZGBNG-OAHLLOKOSA-N 1 0 217.356 3.570 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])C1CCCCC1 ZINC000041230521 179342414 /nfs/dbraw/zinc/34/24/14/179342414.db2.gz UGPMHDRWGLNFFY-OAHLLOKOSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])C2CCCCC2)c1 ZINC000041230531 187945989 /nfs/dbraw/zinc/94/59/89/187945989.db2.gz GWVJQZGJLLNYBE-HNNXBMFYSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@H](C[NH3+])C2CCCCC2)c1 ZINC000041230533 179198348 /nfs/dbraw/zinc/19/83/48/179198348.db2.gz GWVJQZGJLLNYBE-OAHLLOKOSA-N 1 0 217.356 3.618 10 0 BHAERO CCCCc1ccc(/C(C)=C/CC[NH3+])cc1 ZINC000041230630 169019182 /nfs/dbraw/zinc/01/91/82/169019182.db2.gz KMNGPZKSYHNONX-AWNIVKPZSA-N 1 0 217.356 3.781 10 0 BHAERO Cc1cc(C)cc([C@H](C[NH3+])C2CCCC2)c1 ZINC000041230709 177918084 /nfs/dbraw/zinc/91/80/84/177918084.db2.gz LJNXYRYLUQRMLF-OAHLLOKOSA-N 1 0 217.356 3.536 10 0 BHAERO Cc1cccc([C@H]([NH3+])C2CCCCC2)c1C ZINC000041230719 179201074 /nfs/dbraw/zinc/20/10/74/179201074.db2.gz QXBGBIJUUXGNBN-OAHLLOKOSA-N 1 0 217.356 3.884 10 0 BHAERO Cc1cccc([C@@H]([NH3+])C2CCCCC2)c1C ZINC000041230721 179185153 /nfs/dbraw/zinc/18/51/53/179185153.db2.gz QXBGBIJUUXGNBN-HNNXBMFYSA-N 1 0 217.356 3.884 10 0 BHAERO CC(C)c1ccc(CCCCCC[NH3+])cc1 ZINC000041233477 167595711 /nfs/dbraw/zinc/59/57/11/167595711.db2.gz KKXDQADMHOIVJJ-UHFFFAOYSA-N 1 0 219.372 3.872 10 0 BHAERO C[C@@H]([NH3+])CCCc1ccc(C(C)(C)C)cc1 ZINC000041233482 175805166 /nfs/dbraw/zinc/80/51/66/175805166.db2.gz FZDROLDMJMVYIU-GFCCVEGCSA-N 1 0 219.372 3.654 10 0 BHAERO C[NH2+]CC[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000041233497 173358400 /nfs/dbraw/zinc/35/84/00/173358400.db2.gz FEDOPKHGJLOFFB-ZDUSSCGKSA-N 1 0 219.372 3.598 10 0 BHAERO C[NH2+]CC[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000041233499 173357413 /nfs/dbraw/zinc/35/74/13/173357413.db2.gz FEDOPKHGJLOFFB-CYBMUJFWSA-N 1 0 219.372 3.598 10 0 BHAERO C[NH2+]C[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000041233501 173378125 /nfs/dbraw/zinc/37/81/25/173378125.db2.gz PDVGKGGENGIQRN-HNNXBMFYSA-N 1 0 219.372 3.769 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000041233503 173366753 /nfs/dbraw/zinc/36/67/53/173366753.db2.gz PDVGKGGENGIQRN-OAHLLOKOSA-N 1 0 219.372 3.769 10 0 BHAERO CCCCc1ccc(C(C)(C)CC[NH3+])cc1 ZINC000041233570 169021220 /nfs/dbraw/zinc/02/12/20/169021220.db2.gz WXMAQDAKLGBLDT-UHFFFAOYSA-N 1 0 219.372 3.656 10 0 BHAERO CCCCc1ccc([C@@H](C[NH3+])C(C)C)cc1 ZINC000041233571 169022380 /nfs/dbraw/zinc/02/23/80/169022380.db2.gz SFNQVHSRQFPHSF-HNNXBMFYSA-N 1 0 219.372 3.728 10 0 BHAERO CCCCc1ccc([C@H](C[NH3+])C(C)C)cc1 ZINC000041233572 169023363 /nfs/dbraw/zinc/02/33/63/169023363.db2.gz SFNQVHSRQFPHSF-OAHLLOKOSA-N 1 0 219.372 3.728 10 0 BHAERO CC(C)Cc1ccc(C(C)(C)CC[NH3+])cc1 ZINC000041233579 187264973 /nfs/dbraw/zinc/26/49/73/187264973.db2.gz CROGOOHXXDZZBX-UHFFFAOYSA-N 1 0 219.372 3.512 10 0 BHAERO CCC[C@@H](C[NH3+])c1ccc(CC(C)C)cc1 ZINC000041233582 169383843 /nfs/dbraw/zinc/38/38/43/169383843.db2.gz SJZSTHQRVMUJQX-HNNXBMFYSA-N 1 0 219.372 3.728 10 0 BHAERO C[NH2+]CC[C@H](C)c1ccc(CC(C)C)cc1 ZINC000041233584 173358143 /nfs/dbraw/zinc/35/81/43/173358143.db2.gz QQDWJTKSBXTRDH-ZDUSSCGKSA-N 1 0 219.372 3.598 10 0 BHAERO C[NH2+]CC[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000041233585 173357648 /nfs/dbraw/zinc/35/76/48/173357648.db2.gz QQDWJTKSBXTRDH-CYBMUJFWSA-N 1 0 219.372 3.598 10 0 BHAERO CCCc1ccc([C@H](C[NH2+]C)C(C)C)cc1 ZINC000041233587 169575475 /nfs/dbraw/zinc/57/54/75/169575475.db2.gz KHMGOZFETDFCAD-OAHLLOKOSA-N 1 0 219.372 3.598 10 0 BHAERO CC[C@@H](C)c1ccc([C@@H](CC)C[NH2+]C)cc1 ZINC000041233592 170804515 /nfs/dbraw/zinc/80/45/15/170804515.db2.gz LEZSGDNCTFMHFX-OLZOCXBDSA-N 1 0 219.372 3.913 10 0 BHAERO CC[C@H](C)c1ccc([C@H](CC)C[NH2+]C)cc1 ZINC000041233595 171411166 /nfs/dbraw/zinc/41/11/66/171411166.db2.gz LEZSGDNCTFMHFX-QWHCGFSZSA-N 1 0 219.372 3.913 10 0 BHAERO CC[C@H](C)c1ccc(C(C)(C)CC[NH3+])cc1 ZINC000041233597 171410273 /nfs/dbraw/zinc/41/02/73/171410273.db2.gz MGNHXGBFLTYRNC-LBPRGKRZSA-N 1 0 219.372 3.827 10 0 BHAERO CC[C@@H](C)c1ccc([C@@H](C)CC[NH2+]C)cc1 ZINC000041233606 170804675 /nfs/dbraw/zinc/80/46/75/170804675.db2.gz BCBDQBBVWUXICH-OLZOCXBDSA-N 1 0 219.372 3.913 10 0 BHAERO CC[C@H](C)c1ccc([C@@H](C)CC[NH2+]C)cc1 ZINC000041233607 171411330 /nfs/dbraw/zinc/41/13/30/171411330.db2.gz BCBDQBBVWUXICH-STQMWFEESA-N 1 0 219.372 3.913 10 0 BHAERO CC[C@H](C)c1ccc([C@H](C)CC[NH2+]C)cc1 ZINC000041233609 171411670 /nfs/dbraw/zinc/41/16/70/171411670.db2.gz BCBDQBBVWUXICH-QWHCGFSZSA-N 1 0 219.372 3.913 10 0 BHAERO Cc1cc(C)c(C)c(CCCCC[NH3+])c1C ZINC000041233621 177851719 /nfs/dbraw/zinc/85/17/19/177851719.db2.gz KOIZAZMABNAIDT-UHFFFAOYSA-N 1 0 219.372 3.592 10 0 BHAERO Cc1cc(C)c(C)c(C(C)(C)CC[NH3+])c1C ZINC000041233622 177852936 /nfs/dbraw/zinc/85/29/36/177852936.db2.gz PNKSMLYAHUMWEY-UHFFFAOYSA-N 1 0 219.372 3.547 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1ccccc1C ZINC000041233629 173357397 /nfs/dbraw/zinc/35/73/97/173357397.db2.gz PFDXXGAWNPFRQL-AWEZNQCLSA-N 1 0 219.372 3.734 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1ccccc1C ZINC000041233630 173358789 /nfs/dbraw/zinc/35/87/89/173358789.db2.gz PFDXXGAWNPFRQL-CQSZACIVSA-N 1 0 219.372 3.734 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1cccc(C)c1 ZINC000041233633 173357814 /nfs/dbraw/zinc/35/78/14/173357814.db2.gz WXCQTRYJWVKOPW-HNNXBMFYSA-N 1 0 219.372 3.734 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1cccc(C)c1 ZINC000041233634 173359056 /nfs/dbraw/zinc/35/90/56/173359056.db2.gz WXCQTRYJWVKOPW-OAHLLOKOSA-N 1 0 219.372 3.734 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(C)cc1 ZINC000041233637 173357701 /nfs/dbraw/zinc/35/77/01/173357701.db2.gz SQAHAMFKFNCRRM-HNNXBMFYSA-N 1 0 219.372 3.734 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(C)cc1 ZINC000041233638 173358520 /nfs/dbraw/zinc/35/85/20/173358520.db2.gz SQAHAMFKFNCRRM-OAHLLOKOSA-N 1 0 219.372 3.734 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1cc(C)ccc1C ZINC000041233649 169382330 /nfs/dbraw/zinc/38/23/30/169382330.db2.gz OHECDJHRSASJDL-AWEZNQCLSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@H](CC[NH2+]C)c1cc(C)ccc1C ZINC000041233650 169497852 /nfs/dbraw/zinc/49/78/52/169497852.db2.gz OHECDJHRSASJDL-CQSZACIVSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1cc(C)cc(C)c1 ZINC000041233657 169382147 /nfs/dbraw/zinc/38/21/47/169382147.db2.gz HOYWJDZLTKVEFY-AWEZNQCLSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1ccc(C)c(C)c1 ZINC000041233661 169381845 /nfs/dbraw/zinc/38/18/45/169381845.db2.gz PJPFJUNTPABXMF-AWEZNQCLSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1ccc(C)cc1C ZINC000041233667 169382000 /nfs/dbraw/zinc/38/20/00/169382000.db2.gz IHZVXMICQDSBBG-AWEZNQCLSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1cccc(C)c1C ZINC000041233675 169382022 /nfs/dbraw/zinc/38/20/22/169382022.db2.gz FGIDQZPGGQOLJR-AWEZNQCLSA-N 1 0 219.372 3.797 10 0 BHAERO CCC[C@H](CC[NH2+]C)c1cccc(C)c1C ZINC000041233676 169497962 /nfs/dbraw/zinc/49/79/62/169497962.db2.gz FGIDQZPGGQOLJR-CQSZACIVSA-N 1 0 219.372 3.797 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1ccccc1F ZINC000041243256 173359000 /nfs/dbraw/zinc/35/90/00/173359000.db2.gz YKSUNPBYUWGPHG-GFCCVEGCSA-N 1 0 223.335 3.565 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1ccccc1F ZINC000041243259 173357868 /nfs/dbraw/zinc/35/78/68/173357868.db2.gz YKSUNPBYUWGPHG-LBPRGKRZSA-N 1 0 223.335 3.565 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1cccc(F)c1 ZINC000041243268 173358906 /nfs/dbraw/zinc/35/89/06/173358906.db2.gz HLKBIXZYOZKKDH-CYBMUJFWSA-N 1 0 223.335 3.565 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1cccc(F)c1 ZINC000041243271 173357688 /nfs/dbraw/zinc/35/76/88/173357688.db2.gz HLKBIXZYOZKKDH-ZDUSSCGKSA-N 1 0 223.335 3.565 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(F)cc1 ZINC000041243280 173359010 /nfs/dbraw/zinc/35/90/10/173359010.db2.gz AKTUUVMZTADUSR-CYBMUJFWSA-N 1 0 223.335 3.565 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(F)cc1 ZINC000041243282 173357919 /nfs/dbraw/zinc/35/79/19/173357919.db2.gz AKTUUVMZTADUSR-ZDUSSCGKSA-N 1 0 223.335 3.565 10 0 BHAERO CC(C)C[NH2+]CCCc1ccccc1Cl ZINC000041246662 167004657 /nfs/dbraw/zinc/00/46/57/167004657.db2.gz YDGDDXAFPJAHKI-UHFFFAOYSA-N 1 0 225.763 3.518 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1ccccc1Cl ZINC000041246718 169382173 /nfs/dbraw/zinc/38/21/73/169382173.db2.gz JQXPLLIUAFBLSQ-NSHDSACASA-N 1 0 225.763 3.833 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1cccc(Cl)c1 ZINC000041246739 169381901 /nfs/dbraw/zinc/38/19/01/169381901.db2.gz IAOVDKUAFNIMEN-NSHDSACASA-N 1 0 225.763 3.833 10 0 BHAERO CCC[C@@H](CC[NH2+]C)c1ccc(Cl)cc1 ZINC000041246750 169381837 /nfs/dbraw/zinc/38/18/37/169381837.db2.gz BRGRYRPHSGARHM-NSHDSACASA-N 1 0 225.763 3.833 10 0 BHAERO [NH3+]CCCCCCc1c(F)cccc1Cl ZINC000041252008 181374999 /nfs/dbraw/zinc/37/49/99/181374999.db2.gz CSURSAQNHFCTQE-UHFFFAOYSA-N 1 0 229.726 3.541 10 0 BHAERO [NH3+]Cc1ccc(-c2ccc(Cl)s2)s1 ZINC000041252072 490175815 /nfs/dbraw/zinc/17/58/15/490175815.db2.gz NNQUYCXSJRZKLG-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000041257083 187945579 /nfs/dbraw/zinc/94/55/79/187945579.db2.gz QPLJVSLMGOEIQU-NSHDSACASA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000041257085 388433246 /nfs/dbraw/zinc/43/32/46/388433246.db2.gz QPLJVSLMGOEIQU-LLVKDONJSA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000041257089 166696275 /nfs/dbraw/zinc/69/62/75/166696275.db2.gz XOIOJIHHHQBKRV-JTQLQIEISA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041257123 374125051 /nfs/dbraw/zinc/12/50/51/374125051.db2.gz SUPHLJUUBYIZRH-NSHDSACASA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041257125 374124865 /nfs/dbraw/zinc/12/48/65/374124865.db2.gz SUPHLJUUBYIZRH-LLVKDONJSA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041257128 358267952 /nfs/dbraw/zinc/26/79/52/358267952.db2.gz SCIBGTGRZDBWSO-JTQLQIEISA-N 1 0 231.261 3.751 10 0 BHAERO CC(C)(C[NH3+])c1ccc(-c2cccs2)cc1 ZINC000041258002 374125142 /nfs/dbraw/zinc/12/51/42/374125142.db2.gz HTVCKYLKLWAIAP-UHFFFAOYSA-N 1 0 231.364 3.651 10 0 BHAERO Cc1ccccc1CCC[NH2+]C1CCCCC1 ZINC000041258010 179262077 /nfs/dbraw/zinc/26/20/77/179262077.db2.gz NUFWESDQUMKQKB-UHFFFAOYSA-N 1 0 231.383 3.850 10 0 BHAERO Cc1cccc(CCC[NH2+]C2CCCCC2)c1 ZINC000041258012 179054540 /nfs/dbraw/zinc/05/45/40/179054540.db2.gz DWNACJBUYOBCSG-UHFFFAOYSA-N 1 0 231.383 3.850 10 0 BHAERO C[NH2+]C[C@H](c1ccccc1C)C1CCCCC1 ZINC000041258034 173377855 /nfs/dbraw/zinc/37/78/55/173377855.db2.gz YJJDTUXPQPSGBC-INIZCTEOSA-N 1 0 231.383 3.878 10 0 BHAERO C[NH2+]C[C@@H](c1ccccc1C)C1CCCCC1 ZINC000041258036 173366614 /nfs/dbraw/zinc/36/66/14/173366614.db2.gz YJJDTUXPQPSGBC-MRXNPFEDSA-N 1 0 231.383 3.878 10 0 BHAERO Cc1ccccc1CC[NH2+]CC1CCCCC1 ZINC000041258039 179265386 /nfs/dbraw/zinc/26/53/86/179265386.db2.gz LFQVXPSRQQDTPM-UHFFFAOYSA-N 1 0 231.383 3.707 10 0 BHAERO C[NH2+]C[C@H](c1cccc(C)c1)C1CCCCC1 ZINC000041258041 173377702 /nfs/dbraw/zinc/37/77/02/173377702.db2.gz VHTPUFVDDYJBOE-INIZCTEOSA-N 1 0 231.383 3.878 10 0 BHAERO C[NH2+]C[C@@H](c1cccc(C)c1)C1CCCCC1 ZINC000041258043 173367073 /nfs/dbraw/zinc/36/70/73/173367073.db2.gz VHTPUFVDDYJBOE-MRXNPFEDSA-N 1 0 231.383 3.878 10 0 BHAERO Cc1cccc(CC[NH2+]CC2CCCCC2)c1 ZINC000041258045 179058869 /nfs/dbraw/zinc/05/88/69/179058869.db2.gz RURHNHBTDNLJMI-UHFFFAOYSA-N 1 0 231.383 3.707 10 0 BHAERO C[NH2+]C[C@H](c1ccc(C)cc1)C1CCCCC1 ZINC000041258047 173378115 /nfs/dbraw/zinc/37/81/15/173378115.db2.gz CQFRXKPMKZQFBM-INIZCTEOSA-N 1 0 231.383 3.878 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(C)cc1)C1CCCCC1 ZINC000041258049 173367235 /nfs/dbraw/zinc/36/72/35/173367235.db2.gz CQFRXKPMKZQFBM-MRXNPFEDSA-N 1 0 231.383 3.878 10 0 BHAERO CC(C)Cc1ccc([C@H](CC[NH3+])C2CC2)cc1 ZINC000041258143 187265247 /nfs/dbraw/zinc/26/52/47/187265247.db2.gz RIAIRCARCZXQPH-INIZCTEOSA-N 1 0 231.383 3.728 10 0 BHAERO c1csc(C[C@@H]2[NH2+]CCC3=C2CCCC3)c1 ZINC000041261921 183520859 /nfs/dbraw/zinc/52/08/59/183520859.db2.gz UNKZVXAMKMKVBL-AWEZNQCLSA-N 1 0 233.380 3.523 10 0 BHAERO CC(C)C[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000041261923 167005515 /nfs/dbraw/zinc/00/55/15/167005515.db2.gz KBNRBJHBPOCCFJ-UHFFFAOYSA-N 1 0 233.399 3.988 10 0 BHAERO CC(C)[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000041261927 167102222 /nfs/dbraw/zinc/10/22/22/167102222.db2.gz ZUASCDBAZWHCCU-UHFFFAOYSA-N 1 0 233.399 3.915 10 0 BHAERO C[NH2+]CC[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000041261935 173358379 /nfs/dbraw/zinc/35/83/79/173358379.db2.gz PKBDNIIOVNNKCN-ZDUSSCGKSA-N 1 0 233.399 3.772 10 0 BHAERO C[NH2+]CC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000041261937 173357477 /nfs/dbraw/zinc/35/74/77/173357477.db2.gz PKBDNIIOVNNKCN-CYBMUJFWSA-N 1 0 233.399 3.772 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000041261939 173367018 /nfs/dbraw/zinc/36/70/18/173367018.db2.gz WDTJYZAIKDSTAW-OAHLLOKOSA-N 1 0 233.399 3.943 10 0 BHAERO C[NH2+]C[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000041261941 173377919 /nfs/dbraw/zinc/37/79/19/173377919.db2.gz WDTJYZAIKDSTAW-HNNXBMFYSA-N 1 0 233.399 3.943 10 0 BHAERO CC(C)C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000041261947 167005074 /nfs/dbraw/zinc/00/50/74/167005074.db2.gz WGCLFZYWBYOOET-UHFFFAOYSA-N 1 0 233.399 3.772 10 0 BHAERO CC(C)[C@@H](C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000041261955 167397525 /nfs/dbraw/zinc/39/75/25/167397525.db2.gz UHTPCNBBKSTQNW-CQSZACIVSA-N 1 0 233.399 3.758 10 0 BHAERO C[NH2+]C[C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000041261975 173377790 /nfs/dbraw/zinc/37/77/90/173377790.db2.gz SOTQPHUZDYBLEC-INIZCTEOSA-N 1 0 233.399 3.844 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000041261977 173366891 /nfs/dbraw/zinc/36/68/91/173366891.db2.gz SOTQPHUZDYBLEC-MRXNPFEDSA-N 1 0 233.399 3.844 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)s1 ZINC000041265783 173387856 /nfs/dbraw/zinc/38/78/56/173387856.db2.gz JINSBSXWNRMHGL-UHFFFAOYSA-N 1 0 235.327 3.582 10 0 BHAERO C[NH2+]C[C@@H](c1ccccc1F)C1CCCCC1 ZINC000041267294 173367044 /nfs/dbraw/zinc/36/70/44/173367044.db2.gz VKHZFBIKHRDTKV-CQSZACIVSA-N 1 0 235.346 3.709 10 0 BHAERO C[NH2+]C[C@H](c1ccccc1F)C1CCCCC1 ZINC000041267298 173377941 /nfs/dbraw/zinc/37/79/41/173377941.db2.gz VKHZFBIKHRDTKV-AWEZNQCLSA-N 1 0 235.346 3.709 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000041267302 173366664 /nfs/dbraw/zinc/36/66/64/173366664.db2.gz CHZIGBFGGXHZSI-OAHLLOKOSA-N 1 0 235.346 3.709 10 0 BHAERO C[NH2+]C[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000041267306 173377945 /nfs/dbraw/zinc/37/79/45/173377945.db2.gz CHZIGBFGGXHZSI-HNNXBMFYSA-N 1 0 235.346 3.709 10 0 BHAERO CCC[C@@H](C[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000041267788 169383985 /nfs/dbraw/zinc/38/39/85/169383985.db2.gz AZLUTHUVUZQEEP-ZDUSSCGKSA-N 1 0 235.371 3.661 10 0 BHAERO C[NH2+]CC[C@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000041267795 173358554 /nfs/dbraw/zinc/35/85/54/173358554.db2.gz YMJQKWDVYPWZGV-LBPRGKRZSA-N 1 0 235.371 3.532 10 0 BHAERO C[NH2+]CC[C@@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000041267799 173357492 /nfs/dbraw/zinc/35/74/92/173357492.db2.gz YMJQKWDVYPWZGV-GFCCVEGCSA-N 1 0 235.371 3.532 10 0 BHAERO CC[C@@H](C[NH2+]C)c1cc(C(C)C)ccc1OC ZINC000041267803 170828107 /nfs/dbraw/zinc/82/81/07/170828107.db2.gz MRTRDCHKKUNRQU-LBPRGKRZSA-N 1 0 235.371 3.532 10 0 BHAERO CCC[C@@H](C[NH3+])c1cc(C(C)C)ccc1OC ZINC000041267811 169383754 /nfs/dbraw/zinc/38/37/54/169383754.db2.gz SPGYIRHSWKSNDN-ZDUSSCGKSA-N 1 0 235.371 3.661 10 0 BHAERO C[NH2+]CC[C@H](C)c1cc(C(C)C)ccc1OC ZINC000041267819 173358262 /nfs/dbraw/zinc/35/82/62/173358262.db2.gz TUJJAKIDKLJDSD-LBPRGKRZSA-N 1 0 235.371 3.532 10 0 BHAERO C[NH2+]CC[C@@H](C)c1cc(C(C)C)ccc1OC ZINC000041267823 173357353 /nfs/dbraw/zinc/35/73/53/173357353.db2.gz TUJJAKIDKLJDSD-GFCCVEGCSA-N 1 0 235.371 3.532 10 0 BHAERO CCC[C@@H](C[NH3+])c1cc(C)c(OCC)cc1C ZINC000041267895 169383862 /nfs/dbraw/zinc/38/38/62/169383862.db2.gz FEMHTWAJEGJHED-ZDUSSCGKSA-N 1 0 235.371 3.545 10 0 BHAERO CCOc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000041267969 170557447 /nfs/dbraw/zinc/55/74/47/170557447.db2.gz GYJOKVYPPZHOKA-CQSZACIVSA-N 1 0 235.371 3.564 10 0 BHAERO [NH3+]C[C@H](c1ccccc1Cl)C1CCCCC1 ZINC000041279604 181454567 /nfs/dbraw/zinc/45/45/67/181454567.db2.gz YFNZFCYZGDLTSX-ZDUSSCGKSA-N 1 0 237.774 3.963 10 0 BHAERO C[NH2+]C[C@@H](c1ccccc1Cl)C1CCCC1 ZINC000041279608 173366760 /nfs/dbraw/zinc/36/67/60/173366760.db2.gz QHJKMTPLRDIRKQ-CYBMUJFWSA-N 1 0 237.774 3.833 10 0 BHAERO C[NH2+]C[C@H](c1ccccc1Cl)C1CCCC1 ZINC000041279611 173378034 /nfs/dbraw/zinc/37/80/34/173378034.db2.gz QHJKMTPLRDIRKQ-ZDUSSCGKSA-N 1 0 237.774 3.833 10 0 BHAERO C[NH2+]C[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000041279623 173366805 /nfs/dbraw/zinc/36/68/05/173366805.db2.gz NEOONJBWAUWTOX-CQSZACIVSA-N 1 0 237.774 3.833 10 0 BHAERO C[NH2+]C[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000041279625 173377929 /nfs/dbraw/zinc/37/79/29/173377929.db2.gz NEOONJBWAUWTOX-AWEZNQCLSA-N 1 0 237.774 3.833 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000041279634 173367159 /nfs/dbraw/zinc/36/71/59/173367159.db2.gz QGYQYHBGKBJCPV-CQSZACIVSA-N 1 0 237.774 3.833 10 0 BHAERO C[NH2+]C[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000041279636 173378222 /nfs/dbraw/zinc/37/82/22/173378222.db2.gz QGYQYHBGKBJCPV-AWEZNQCLSA-N 1 0 237.774 3.833 10 0 BHAERO COc1ccc(Cl)cc1[C@H]([NH3+])C1CCCC1 ZINC000041282907 175123150 /nfs/dbraw/zinc/12/31/50/175123150.db2.gz ZCJTWYFRMVARKW-CYBMUJFWSA-N 1 0 239.746 3.539 10 0 BHAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C1CCCC1 ZINC000041282909 175121967 /nfs/dbraw/zinc/12/19/67/175121967.db2.gz ZCJTWYFRMVARKW-ZDUSSCGKSA-N 1 0 239.746 3.539 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(F)c(F)c1 ZINC000041285152 173359044 /nfs/dbraw/zinc/35/90/44/173359044.db2.gz RCCWMHNPBGGTDF-GFCCVEGCSA-N 1 0 241.325 3.704 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(F)c(F)c1 ZINC000041285154 173357322 /nfs/dbraw/zinc/35/73/22/173357322.db2.gz RCCWMHNPBGGTDF-LBPRGKRZSA-N 1 0 241.325 3.704 10 0 BHAERO C[NH2+]CC[C@H](CC(C)C)c1cc(F)cc(F)c1 ZINC000041285162 173358500 /nfs/dbraw/zinc/35/85/00/173358500.db2.gz YUEQGKPGTYQJCT-LLVKDONJSA-N 1 0 241.325 3.704 10 0 BHAERO C[NH2+]CC[C@@H](CC(C)C)c1cc(F)cc(F)c1 ZINC000041285165 173357921 /nfs/dbraw/zinc/35/79/21/173357921.db2.gz YUEQGKPGTYQJCT-NSHDSACASA-N 1 0 241.325 3.704 10 0 BHAERO C[NH2+]Cc1ccc(-c2ccc(Cl)s2)s1 ZINC000041289719 173388423 /nfs/dbraw/zinc/38/84/23/173388423.db2.gz MRCZVAINQSFHJU-UHFFFAOYSA-N 1 0 243.784 3.849 10 0 BHAERO Clc1ccc(CC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000041289959 180578690 /nfs/dbraw/zinc/57/86/90/180578690.db2.gz CSWGBDONQONMLN-LLVKDONJSA-N 1 0 244.165 3.678 10 0 BHAERO Clc1ccc(CC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000041289968 180579183 /nfs/dbraw/zinc/57/91/83/180579183.db2.gz ODJGVMGTOLTRFZ-JTQLQIEISA-N 1 0 244.165 3.678 10 0 BHAERO CCC[C@@H](CC[NH3+])c1ccccc1C(F)(F)F ZINC000041295875 169381897 /nfs/dbraw/zinc/38/18/97/169381897.db2.gz SLMKLCJGWZTJKD-JTQLQIEISA-N 1 0 245.288 3.938 10 0 BHAERO CC[C@@H](CC[NH2+]C)c1ccccc1C(F)(F)F ZINC000041295878 170817356 /nfs/dbraw/zinc/81/73/56/170817356.db2.gz NGSKMJAOCAHYND-JTQLQIEISA-N 1 0 245.288 3.809 10 0 BHAERO CC[C@H](CC[NH2+]C)c1ccccc1C(F)(F)F ZINC000041295879 171424246 /nfs/dbraw/zinc/42/42/46/171424246.db2.gz NGSKMJAOCAHYND-SNVBAGLBSA-N 1 0 245.288 3.809 10 0 BHAERO CCC[C@@H](CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000041295889 169382283 /nfs/dbraw/zinc/38/22/83/169382283.db2.gz DCOJKFFFODQSRT-JTQLQIEISA-N 1 0 245.288 3.938 10 0 BHAERO CCC[C@@H](CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041295905 169381875 /nfs/dbraw/zinc/38/18/75/169381875.db2.gz WPGHYYKYEKDXMS-JTQLQIEISA-N 1 0 245.288 3.938 10 0 BHAERO CC[C@H](CC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000041295910 171423829 /nfs/dbraw/zinc/42/38/29/171423829.db2.gz SVAHMMZBTDDYMP-SNVBAGLBSA-N 1 0 245.288 3.809 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)C(C)C ZINC000041296867 173367261 /nfs/dbraw/zinc/36/72/61/173367261.db2.gz NDWPMDZYRPTISW-LLVKDONJSA-N 1 0 246.181 3.952 10 0 BHAERO C[NH2+]C[C@H](c1ccc(Cl)cc1Cl)C(C)C ZINC000041296868 173378117 /nfs/dbraw/zinc/37/81/17/173378117.db2.gz NDWPMDZYRPTISW-NSHDSACASA-N 1 0 246.181 3.952 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000041296881 173367291 /nfs/dbraw/zinc/36/72/91/173367291.db2.gz XJEZAYAEDYZSFM-SNVBAGLBSA-N 1 0 246.181 3.952 10 0 BHAERO C[NH2+]C[C@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000041296882 173378318 /nfs/dbraw/zinc/37/83/18/173378318.db2.gz XJEZAYAEDYZSFM-JTQLQIEISA-N 1 0 246.181 3.952 10 0 BHAERO CC(C)[C@@H](C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000041296891 167396822 /nfs/dbraw/zinc/39/68/22/167396822.db2.gz UKUNREPGNLXALV-SNVBAGLBSA-N 1 0 246.181 3.767 10 0 BHAERO Cc1ccc(C)c(NCC[NH+]2CCCCCC2)c1 ZINC000041298365 178484113 /nfs/dbraw/zinc/48/41/13/178484113.db2.gz BEWHXPPQKIAMJT-UHFFFAOYSA-N 1 0 246.398 3.591 10 0 BHAERO Cc1cc(C)cc(NCC[NH+]2CCCCCC2)c1 ZINC000041298369 177908799 /nfs/dbraw/zinc/90/87/99/177908799.db2.gz NPQYWRYNQXCOIO-UHFFFAOYSA-N 1 0 246.398 3.591 10 0 BHAERO Cc1cccc(C)c1NCC[NH+]1CCCCCC1 ZINC000041298371 179043813 /nfs/dbraw/zinc/04/38/13/179043813.db2.gz ZDVXNHIROTZSMZ-UHFFFAOYSA-N 1 0 246.398 3.591 10 0 BHAERO Cc1cccc(NCC[NH+]2CCCCCC2)c1C ZINC000041298373 179145169 /nfs/dbraw/zinc/14/51/69/179145169.db2.gz RKQQAHLPDJUBKY-UHFFFAOYSA-N 1 0 246.398 3.591 10 0 BHAERO Cc1cccc(NCCC[NH+]2CCCCC2)c1C ZINC000041298425 358283085 /nfs/dbraw/zinc/28/30/85/358283085.db2.gz CINSVPIRMMWPKX-UHFFFAOYSA-N 1 0 246.398 3.591 10 0 BHAERO COc1ccccc1CCC[NH2+]C1CCCCC1 ZINC000041299577 175322768 /nfs/dbraw/zinc/32/27/68/175322768.db2.gz JWZIAYXTMGYHGI-UHFFFAOYSA-N 1 0 247.382 3.550 10 0 BHAERO COc1cccc(CCC[NH2+]C2CCCCC2)c1 ZINC000041299579 175251733 /nfs/dbraw/zinc/25/17/33/175251733.db2.gz AJHVFWFHUZVAAK-UHFFFAOYSA-N 1 0 247.382 3.550 10 0 BHAERO C[NH2+]C[C@@H](c1ccccc1OC)C1CCCCC1 ZINC000041299613 173367075 /nfs/dbraw/zinc/36/70/75/173367075.db2.gz USDJZLVLLABMOI-OAHLLOKOSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]C[C@H](c1ccccc1OC)C1CCCCC1 ZINC000041299614 173378151 /nfs/dbraw/zinc/37/81/51/173378151.db2.gz USDJZLVLLABMOI-HNNXBMFYSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]C[C@@H](c1cccc(OC)c1)C1CCCCC1 ZINC000041299616 173367285 /nfs/dbraw/zinc/36/72/85/173367285.db2.gz OPUGRBVTOZDAID-MRXNPFEDSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]C[C@H](c1cccc(OC)c1)C1CCCCC1 ZINC000041299617 173377848 /nfs/dbraw/zinc/37/78/48/173377848.db2.gz OPUGRBVTOZDAID-INIZCTEOSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(OC)cc1)C1CCCCC1 ZINC000041299620 173367012 /nfs/dbraw/zinc/36/70/12/173367012.db2.gz AOVYSKKYUTUJKU-MRXNPFEDSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]C[C@H](c1ccc(OC)cc1)C1CCCCC1 ZINC000041299622 173377733 /nfs/dbraw/zinc/37/77/33/173377733.db2.gz AOVYSKKYUTUJKU-INIZCTEOSA-N 1 0 247.382 3.579 10 0 BHAERO COc1ccc([C@@H](CC[NH3+])C2CC2)cc1C(C)C ZINC000041299815 175178266 /nfs/dbraw/zinc/17/82/66/175178266.db2.gz VUSBEVCWHCOXCQ-AWEZNQCLSA-N 1 0 247.382 3.661 10 0 BHAERO COc1ccc(C(C)C)cc1[C@@H](CC[NH3+])C1CC1 ZINC000041299819 175069157 /nfs/dbraw/zinc/06/91/57/175069157.db2.gz MSKOEVMWVPWELS-AWEZNQCLSA-N 1 0 247.382 3.661 10 0 BHAERO COc1ccc(C(C)C)cc1[C@H](CC[NH3+])C1CC1 ZINC000041299820 175069117 /nfs/dbraw/zinc/06/91/17/175069117.db2.gz MSKOEVMWVPWELS-CQSZACIVSA-N 1 0 247.382 3.661 10 0 BHAERO C[NH2+]CC[C@@H](c1ccccc1OC)C1CCCC1 ZINC000041299845 173358263 /nfs/dbraw/zinc/35/82/63/173358263.db2.gz YWXLGDCBOWSLMQ-CQSZACIVSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]CC[C@H](c1ccccc1OC)C1CCCC1 ZINC000041299846 173358967 /nfs/dbraw/zinc/35/89/67/173358967.db2.gz YWXLGDCBOWSLMQ-AWEZNQCLSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]CC[C@@H](c1cccc(OC)c1)C1CCCC1 ZINC000041299852 173358476 /nfs/dbraw/zinc/35/84/76/173358476.db2.gz BVXFKWRXFAMGNW-MRXNPFEDSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]CC[C@H](c1cccc(OC)c1)C1CCCC1 ZINC000041299853 173359005 /nfs/dbraw/zinc/35/90/05/173359005.db2.gz BVXFKWRXFAMGNW-INIZCTEOSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]CC[C@@H](c1ccc(OC)cc1)C1CCCC1 ZINC000041299858 173358374 /nfs/dbraw/zinc/35/83/74/173358374.db2.gz PJTPYSIZKQKQHT-MRXNPFEDSA-N 1 0 247.382 3.579 10 0 BHAERO C[NH2+]CC[C@H](c1ccc(OC)cc1)C1CCCC1 ZINC000041299859 173359003 /nfs/dbraw/zinc/35/90/03/173359003.db2.gz PJTPYSIZKQKQHT-INIZCTEOSA-N 1 0 247.382 3.579 10 0 BHAERO Cc1ccccc1OCC[NH2+]CC1CCCCC1 ZINC000041299909 179310556 /nfs/dbraw/zinc/31/05/56/179310556.db2.gz WWLNXLWGQTUKHC-UHFFFAOYSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1cccc(OCC[NH2+]CC2CCCCC2)c1 ZINC000041299914 179168802 /nfs/dbraw/zinc/16/88/02/179168802.db2.gz ZLVBBNDFGPVFJW-UHFFFAOYSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1cccc(OCC[NH2+]C2CCCCC2)c1C ZINC000041299959 179168133 /nfs/dbraw/zinc/16/81/33/179168133.db2.gz RBJZGDOPJNJLFN-UHFFFAOYSA-N 1 0 247.382 3.605 10 0 BHAERO Cc1cc(C)cc(OCCC[NH2+]C2CCCC2)c1 ZINC000041299965 177912955 /nfs/dbraw/zinc/91/29/55/177912955.db2.gz ZEEZNUNUOOPPOH-UHFFFAOYSA-N 1 0 247.382 3.605 10 0 BHAERO [NH3+]CCCCCOc1c(Cl)cccc1Cl ZINC000041300305 181375129 /nfs/dbraw/zinc/37/51/29/181375129.db2.gz ZPATXQAIGBFICO-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO [NH3+]CCCCCOc1cc(Cl)ccc1Cl ZINC000041300323 181374900 /nfs/dbraw/zinc/37/49/00/181374900.db2.gz CAJIFPQFHKBLQF-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO [NH3+]CCCCCOc1ccc(Cl)cc1Cl ZINC000041300341 181375531 /nfs/dbraw/zinc/37/55/31/181375531.db2.gz CXXGWWKMVUBHNQ-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO [NH3+]CCCCCOc1cccc(Cl)c1Cl ZINC000041300360 181374668 /nfs/dbraw/zinc/37/46/68/181374668.db2.gz FCIUXGWHAWODQT-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO [NH3+]CCCCCOc1cc(Cl)cc(Cl)c1 ZINC000041300378 181374903 /nfs/dbraw/zinc/37/49/03/181374903.db2.gz QSFQRRTWJMNJCR-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO [NH3+]CCCCCOc1ccc(Cl)c(Cl)c1 ZINC000041300396 181375520 /nfs/dbraw/zinc/37/55/20/181375520.db2.gz OGCQRRIOYIFHIG-UHFFFAOYSA-N 1 0 248.153 3.501 10 0 BHAERO C[NH2+]C[C@H](c1ccc(OC)c(C(C)C)c1)C(C)C ZINC000041304722 173377982 /nfs/dbraw/zinc/37/79/82/173377982.db2.gz QABNXCJLPZBDFJ-HNNXBMFYSA-N 1 0 249.398 3.778 10 0 BHAERO C[NH2+]C[C@@H](c1ccc(OC)c(C(C)C)c1)C(C)C ZINC000041304725 173367198 /nfs/dbraw/zinc/36/71/98/173367198.db2.gz QABNXCJLPZBDFJ-OAHLLOKOSA-N 1 0 249.398 3.778 10 0 BHAERO COc1ccc([C@@H](C[NH3+])CC(C)C)cc1C(C)C ZINC000041304738 175178381 /nfs/dbraw/zinc/17/83/81/175178381.db2.gz FGTJBNGETHUCMN-CQSZACIVSA-N 1 0 249.398 3.907 10 0 BHAERO COc1ccc(C[C@@H](C[NH3+])C(C)C)cc1C(C)C ZINC000041304741 175115786 /nfs/dbraw/zinc/11/57/86/175115786.db2.gz YTBPEWWVDDEPHQ-AWEZNQCLSA-N 1 0 249.398 3.592 10 0 BHAERO COc1ccc(C[C@H](C[NH3+])C(C)C)cc1C(C)C ZINC000041304744 175117335 /nfs/dbraw/zinc/11/73/35/175117335.db2.gz YTBPEWWVDDEPHQ-CQSZACIVSA-N 1 0 249.398 3.592 10 0 BHAERO C[NH2+]C[C@H](c1cc(C(C)C)ccc1OC)C(C)C ZINC000041304760 173377719 /nfs/dbraw/zinc/37/77/19/173377719.db2.gz GALCUHVZZKITRS-HNNXBMFYSA-N 1 0 249.398 3.778 10 0 BHAERO C[NH2+]C[C@@H](c1cc(C(C)C)ccc1OC)C(C)C ZINC000041304763 173367125 /nfs/dbraw/zinc/36/71/25/173367125.db2.gz GALCUHVZZKITRS-OAHLLOKOSA-N 1 0 249.398 3.778 10 0 BHAERO COc1ccc(C(C)C)cc1[C@H](C[NH3+])CC(C)C ZINC000041304773 175069094 /nfs/dbraw/zinc/06/90/94/175069094.db2.gz CXSWKYGHUNFNGU-AWEZNQCLSA-N 1 0 249.398 3.907 10 0 BHAERO COc1ccc(C(C)C)cc1[C@@H](C[NH3+])CC(C)C ZINC000041304776 175069104 /nfs/dbraw/zinc/06/91/04/175069104.db2.gz CXSWKYGHUNFNGU-CQSZACIVSA-N 1 0 249.398 3.907 10 0 BHAERO COc1ccc(C(C)C)cc1C[C@@H](C[NH3+])C(C)C ZINC000041304779 175069268 /nfs/dbraw/zinc/06/92/68/175069268.db2.gz DOFOYVFQOWGUOW-HNNXBMFYSA-N 1 0 249.398 3.592 10 0 BHAERO COc1ccc(C(C)C)cc1C[C@H](C[NH3+])C(C)C ZINC000041304781 175069349 /nfs/dbraw/zinc/06/93/49/175069349.db2.gz DOFOYVFQOWGUOW-OAHLLOKOSA-N 1 0 249.398 3.592 10 0 BHAERO CCC[C@@H](C[NH3+])c1ccc(OC)c(C(C)(C)C)c1 ZINC000041304796 169384027 /nfs/dbraw/zinc/38/40/27/169384027.db2.gz NULBTEKNZQWEAC-ZDUSSCGKSA-N 1 0 249.398 3.835 10 0 BHAERO C[NH2+]CC[C@H](C)c1ccc(OC)c(C(C)(C)C)c1 ZINC000041304802 173358539 /nfs/dbraw/zinc/35/85/39/173358539.db2.gz QLLMIIHDIMLXEJ-LBPRGKRZSA-N 1 0 249.398 3.706 10 0 BHAERO C[NH2+]CC[C@@H](C)c1ccc(OC)c(C(C)(C)C)c1 ZINC000041304805 173357732 /nfs/dbraw/zinc/35/77/32/173357732.db2.gz QLLMIIHDIMLXEJ-GFCCVEGCSA-N 1 0 249.398 3.706 10 0 BHAERO CC[C@H](C[NH2+]C)c1cc(C(C)(C)C)ccc1OC ZINC000041304810 171437333 /nfs/dbraw/zinc/43/73/33/171437333.db2.gz BXUANEPJIVZCKS-GFCCVEGCSA-N 1 0 249.398 3.706 10 0 BHAERO CCC[C@@H](C[NH3+])c1cc(C(C)(C)C)ccc1OC ZINC000041304820 169383566 /nfs/dbraw/zinc/38/35/66/169383566.db2.gz FNCYQDIDSYEBNG-LBPRGKRZSA-N 1 0 249.398 3.835 10 0 BHAERO CCC[C@H](C[NH3+])c1cc(C(C)(C)C)ccc1OC ZINC000041304823 169498742 /nfs/dbraw/zinc/49/87/42/169498742.db2.gz FNCYQDIDSYEBNG-GFCCVEGCSA-N 1 0 249.398 3.835 10 0 BHAERO C[NH2+]CC[C@H](C)c1cc(C(C)(C)C)ccc1OC ZINC000041304825 173358257 /nfs/dbraw/zinc/35/82/57/173358257.db2.gz CIGWVRJHXJCOES-LBPRGKRZSA-N 1 0 249.398 3.706 10 0 BHAERO C[NH2+]CC[C@@H](C)c1cc(C(C)(C)C)ccc1OC ZINC000041304828 173357770 /nfs/dbraw/zinc/35/77/70/173357770.db2.gz CIGWVRJHXJCOES-GFCCVEGCSA-N 1 0 249.398 3.706 10 0 BHAERO COc1ccc([C@@H](CC[NH3+])C(C)C)cc1C(C)C ZINC000041304831 175178486 /nfs/dbraw/zinc/17/84/86/175178486.db2.gz QXUDOKGUOFVMSX-AWEZNQCLSA-N 1 0 249.398 3.907 10 0 BHAERO COc1ccc(C(C)C)cc1[C@@H](CC[NH3+])C(C)C ZINC000041304836 175069262 /nfs/dbraw/zinc/06/92/62/175069262.db2.gz PUTBMIJNBXALLM-AWEZNQCLSA-N 1 0 249.398 3.907 10 0 BHAERO COc1ccc(C(C)C)cc1[C@H](CC[NH3+])C(C)C ZINC000041304839 175069347 /nfs/dbraw/zinc/06/93/47/175069347.db2.gz PUTBMIJNBXALLM-CQSZACIVSA-N 1 0 249.398 3.907 10 0 BHAERO C[NH2+]CC[C@H](c1cc(C)c(C)cc1OC)C(C)C ZINC000041304841 173359156 /nfs/dbraw/zinc/35/91/56/173359156.db2.gz MBVCXHXRBDKTBB-AWEZNQCLSA-N 1 0 249.398 3.661 10 0 BHAERO C[NH2+]CC[C@@H](c1cc(C)c(C)cc1OC)C(C)C ZINC000041304844 173358551 /nfs/dbraw/zinc/35/85/51/173358551.db2.gz MBVCXHXRBDKTBB-CQSZACIVSA-N 1 0 249.398 3.661 10 0 BHAERO C[NH2+]CC[C@H](c1cc(C)c(OC)cc1C)C(C)C ZINC000041304847 173358983 /nfs/dbraw/zinc/35/89/83/173358983.db2.gz QPGDRFBUKKQTRC-AWEZNQCLSA-N 1 0 249.398 3.661 10 0 BHAERO C[NH2+]CC[C@@H](c1cc(C)c(OC)cc1C)C(C)C ZINC000041304849 173358289 /nfs/dbraw/zinc/35/82/89/173358289.db2.gz QPGDRFBUKKQTRC-CQSZACIVSA-N 1 0 249.398 3.661 10 0 BHAERO CCOc1cc(C)c([C@H](C[NH3+])CC(C)C)cc1C ZINC000041304857 170519759 /nfs/dbraw/zinc/51/97/59/170519759.db2.gz VMKJPMXBUXMPKH-AWEZNQCLSA-N 1 0 249.398 3.791 10 0 BHAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000041304884 167300086 /nfs/dbraw/zinc/30/00/86/167300086.db2.gz AEPGZEYNRXAMHJ-OAHLLOKOSA-N 1 0 249.398 3.952 10 0 BHAERO CC(C)Oc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1 ZINC000041304887 167300852 /nfs/dbraw/zinc/30/08/52/167300852.db2.gz AEPGZEYNRXAMHJ-HNNXBMFYSA-N 1 0 249.398 3.952 10 0 BHAERO CC(C)C[NH2+]CCCOc1ccccc1C(C)C ZINC000041304912 167003040 /nfs/dbraw/zinc/00/30/40/167003040.db2.gz UCEYOIRAPKXKOK-UHFFFAOYSA-N 1 0 249.398 3.825 10 0 BHAERO CC(C)C[NH2+]CCCOc1cccc(C(C)C)c1 ZINC000041304918 167002465 /nfs/dbraw/zinc/00/24/65/167002465.db2.gz OZOUJVANOWFLHW-UHFFFAOYSA-N 1 0 249.398 3.825 10 0 BHAERO CC(C)C[NH2+]CCCOc1ccc(C(C)C)cc1 ZINC000041304923 167002653 /nfs/dbraw/zinc/00/26/53/167002653.db2.gz ZNBDXLYDZBHGQU-UHFFFAOYSA-N 1 0 249.398 3.825 10 0 BHAERO CC(C)C[NH2+]CCOc1ccccc1C(C)(C)C ZINC000041304937 167005073 /nfs/dbraw/zinc/00/50/73/167005073.db2.gz XNUMCUILHXIGQJ-UHFFFAOYSA-N 1 0 249.398 3.609 10 0 BHAERO CC(C)C[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000041304950 167005439 /nfs/dbraw/zinc/00/54/39/167005439.db2.gz OMBFDVPGFXDFKG-UHFFFAOYSA-N 1 0 249.398 3.609 10 0 BHAERO CC(C)C[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000041304964 167004371 /nfs/dbraw/zinc/00/43/71/167004371.db2.gz RWCTWYVMVWEBMI-UHFFFAOYSA-N 1 0 249.398 3.609 10 0 BHAERO Cc1cc(C)c(OCCC[NH2+]CC(C)C)c(C)c1 ZINC000041304997 177867813 /nfs/dbraw/zinc/86/78/13/177867813.db2.gz MQPBGBZCPYBDKQ-UHFFFAOYSA-N 1 0 249.398 3.626 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])c1c(F)cccc1Cl ZINC000041305100 179344129 /nfs/dbraw/zinc/34/41/29/179344129.db2.gz ZUUOPXCZEMJFMK-AWEZNQCLSA-N 1 0 249.716 3.836 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000041305103 179325391 /nfs/dbraw/zinc/32/53/91/179325391.db2.gz ZUUOPXCZEMJFMK-CQSZACIVSA-N 1 0 249.716 3.836 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2c(F)cccc2Cl)c1 ZINC000041305105 179200764 /nfs/dbraw/zinc/20/07/64/179200764.db2.gz XWRVUPTZHPPMKY-AWEZNQCLSA-N 1 0 249.716 3.836 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2c(F)cccc2Cl)c1 ZINC000041305108 179186956 /nfs/dbraw/zinc/18/69/56/179186956.db2.gz XWRVUPTZHPPMKY-CQSZACIVSA-N 1 0 249.716 3.836 10 0 BHAERO Clc1ccccc1[C@H]1[NH2+]CCc2sccc21 ZINC000041305290 582684986 /nfs/dbraw/zinc/68/49/86/582684986.db2.gz XVSMFWDLYRJQFQ-CYBMUJFWSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1ccccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000041305292 582685307 /nfs/dbraw/zinc/68/53/07/582685307.db2.gz XVSMFWDLYRJQFQ-ZDUSSCGKSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1cccc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000041305295 582685400 /nfs/dbraw/zinc/68/54/00/582685400.db2.gz SGGRXQLNFXCZMO-CYBMUJFWSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1cccc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000041305298 582685148 /nfs/dbraw/zinc/68/51/48/582685148.db2.gz SGGRXQLNFXCZMO-ZDUSSCGKSA-N 1 0 249.766 3.637 10 0 BHAERO CCCCc1ccc(NCC[NH+]2CCCC2)cc1 ZINC000041571046 169022139 /nfs/dbraw/zinc/02/21/39/169022139.db2.gz XMPCHVVFRLTPGG-UHFFFAOYSA-N 1 0 246.398 3.537 10 0 BHAERO CC[C@H](C)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000041581918 171340233 /nfs/dbraw/zinc/34/02/33/171340233.db2.gz LPLMIQMNANCMQA-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000041582352 179168262 /nfs/dbraw/zinc/16/82/62/179168262.db2.gz NPZJNKDMQYKOCY-GOEBONIOSA-N 1 0 247.382 3.542 10 0 BHAERO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000041582353 179168409 /nfs/dbraw/zinc/16/84/09/179168409.db2.gz NPZJNKDMQYKOCY-HOCLYGCPSA-N 1 0 247.382 3.542 10 0 BHAERO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000041582354 179168013 /nfs/dbraw/zinc/16/80/13/179168013.db2.gz NPZJNKDMQYKOCY-GDBMZVCRSA-N 1 0 247.382 3.542 10 0 BHAERO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000041582355 179168244 /nfs/dbraw/zinc/16/82/44/179168244.db2.gz NPZJNKDMQYKOCY-ZBFHGGJFSA-N 1 0 247.382 3.542 10 0 BHAERO Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000041582359 178812065 /nfs/dbraw/zinc/81/20/65/178812065.db2.gz PWPGCNMFSVMPID-ZBFHGGJFSA-N 1 0 247.382 3.542 10 0 BHAERO CC(C)c1ccc(C(=O)C[NH2+]C2CCCC2)cc1 ZINC000041611912 188257846 /nfs/dbraw/zinc/25/78/46/188257846.db2.gz QRSSIHBIABPCII-UHFFFAOYSA-N 1 0 245.366 3.525 10 0 BHAERO CC[C@H](C)[NH2+]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041612816 171339024 /nfs/dbraw/zinc/33/90/24/171339024.db2.gz SVSDWHADQZEMQI-LBPRGKRZSA-N 1 0 247.382 3.555 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc(F)c(Cl)c2)c1 ZINC000041653960 179199988 /nfs/dbraw/zinc/19/99/88/179199988.db2.gz SQSSINYNLVHPHC-AWEZNQCLSA-N 1 0 249.716 3.836 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1 ZINC000041653966 179186578 /nfs/dbraw/zinc/18/65/78/179186578.db2.gz SQSSINYNLVHPHC-CQSZACIVSA-N 1 0 249.716 3.836 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc3ncccc3c2)c1 ZINC000041655902 179200982 /nfs/dbraw/zinc/20/09/82/179200982.db2.gz WWGIHDMMAWMPIJ-KRWDZBQOSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc3ncccc3c2)c1 ZINC000041655908 179187082 /nfs/dbraw/zinc/18/70/82/179187082.db2.gz WWGIHDMMAWMPIJ-QGZVFWFLSA-N 1 0 248.329 3.591 10 0 BHAERO CC(C)[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000041720449 384631363 /nfs/dbraw/zinc/63/13/63/384631363.db2.gz OSRUCIQHTMIACW-LLVKDONJSA-N 1 0 214.312 3.691 10 0 BHAERO CC(C)[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000041720454 322836285 /nfs/dbraw/zinc/83/62/85/322836285.db2.gz OSRUCIQHTMIACW-NSHDSACASA-N 1 0 214.312 3.691 10 0 BHAERO Cc1nc(C)c([C@@H](C)[NH2+]CC2CCCC2)s1 ZINC000042011245 179919172 /nfs/dbraw/zinc/91/91/72/179919172.db2.gz KUYBNHMVSNCPIQ-SECBINFHSA-N 1 0 238.400 3.601 10 0 BHAERO CCC[N@@H+](Cc1ccccc1N)CC1CCCC1 ZINC000042011374 169177844 /nfs/dbraw/zinc/17/78/44/169177844.db2.gz DAAONFWOZQQODN-UHFFFAOYSA-N 1 0 246.398 3.671 10 0 BHAERO Cc1cc(OCC[NH2+]C(C)(C)C)ccc1C(C)C ZINC000042237576 178211507 /nfs/dbraw/zinc/21/15/07/178211507.db2.gz PLURXPSZIITTLX-UHFFFAOYSA-N 1 0 249.398 3.885 10 0 BHAERO CCC[C@@H](CCCOCCC(C)C)[NH2+]CC ZINC000042321542 169381854 /nfs/dbraw/zinc/38/18/54/169381854.db2.gz JBSWHFAUKHHSGZ-AWEZNQCLSA-N 1 0 229.408 3.608 10 0 BHAERO CC[C@H]([NH2+]Cc1cccc(C)c1C)C(C)C ZINC000042325259 342996358 /nfs/dbraw/zinc/99/63/58/342996358.db2.gz AEXIOQHICKEAFJ-HNNXBMFYSA-N 1 0 219.372 3.828 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc(C)c1C)C(C)C ZINC000042325262 342996456 /nfs/dbraw/zinc/99/64/56/342996456.db2.gz AEXIOQHICKEAFJ-OAHLLOKOSA-N 1 0 219.372 3.828 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)c2ccco2)c(C)s1 ZINC000042325873 178030711 /nfs/dbraw/zinc/03/07/11/178030711.db2.gz SQZRZOMCHZRXDP-JTQLQIEISA-N 1 0 235.352 3.809 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)c2ccco2)c(C)s1 ZINC000042325876 178038168 /nfs/dbraw/zinc/03/81/68/178038168.db2.gz SQZRZOMCHZRXDP-SNVBAGLBSA-N 1 0 235.352 3.809 10 0 BHAERO c1coc(CC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000042329491 183506342 /nfs/dbraw/zinc/50/63/42/183506342.db2.gz CAPHRGOEHHCCRS-AWEZNQCLSA-N 1 0 247.363 3.625 10 0 BHAERO CCC[NH2+]Cc1cnn(C2CCCCCC2)c1C ZINC000042356009 169268864 /nfs/dbraw/zinc/26/88/64/169268864.db2.gz XDXCWJUWEGOQPW-UHFFFAOYSA-N 1 0 249.402 3.586 10 0 BHAERO C[NH2+]Cc1csc(-c2ccc3c(c2)CCC3)c1 ZINC000042366241 173393881 /nfs/dbraw/zinc/39/38/81/173393881.db2.gz CXMLXLASCCPDKF-UHFFFAOYSA-N 1 0 243.375 3.623 10 0 BHAERO CCC[C@@H]([NH3+])c1nc(-c2ccccc2)cs1 ZINC000042373626 169393913 /nfs/dbraw/zinc/39/39/13/169393913.db2.gz UPNNKVGMFZOHNX-LLVKDONJSA-N 1 0 232.352 3.610 10 0 BHAERO C[NH2+]Cc1cc(-c2ccc3c(c2)CCC3)cs1 ZINC000042402180 173385833 /nfs/dbraw/zinc/38/58/33/173385833.db2.gz CBRWIUUTBZQTHV-UHFFFAOYSA-N 1 0 243.375 3.623 10 0 BHAERO CC[C@H](C)c1ccccc1OCC[NH2+]C(C)(C)C ZINC000042407233 171412751 /nfs/dbraw/zinc/41/27/51/171412751.db2.gz CRFJBYASGJYGNF-ZDUSSCGKSA-N 1 0 249.398 3.967 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)C1CCC(C)CC1 ZINC000042487843 168159119 /nfs/dbraw/zinc/15/91/19/168159119.db2.gz HIEYJLZWKPNDPX-ROKHWSDSSA-N 1 0 246.398 3.721 10 0 BHAERO CCC(CC)CN(CC)c1ccccc1[C@@H](C)[NH3+] ZINC000042487851 168351011 /nfs/dbraw/zinc/35/10/11/168351011.db2.gz BZKDKSJBIHLPFG-CYBMUJFWSA-N 1 0 248.414 3.969 10 0 BHAERO CC1CCC([N@H+](C)CCNc2ccccc2)CC1 ZINC000042488233 168158644 /nfs/dbraw/zinc/15/86/44/168158644.db2.gz LPBRJLYFZXTKJE-UHFFFAOYSA-N 1 0 246.398 3.609 10 0 BHAERO CCCCC[N@H+](C[C@@H](N)c1ccccc1)C(C)C ZINC000042551757 168692823 /nfs/dbraw/zinc/69/28/23/168692823.db2.gz VMNPGZBSPFZAIZ-MRXNPFEDSA-N 1 0 248.414 3.587 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000042552034 170792296 /nfs/dbraw/zinc/79/22/96/170792296.db2.gz KBODXTVGCPDTNG-AGIUHOORSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000042552048 171537468 /nfs/dbraw/zinc/53/74/68/171537468.db2.gz CVFPVNVLANFKKG-HUBLWGQQSA-N 1 0 235.371 3.868 10 0 BHAERO CC[C@H](C)[C@@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000042552513 171367614 /nfs/dbraw/zinc/36/76/14/171367614.db2.gz RNNSENRSKNXZIS-WDEREUQCSA-N 1 0 243.354 3.664 10 0 BHAERO CC[C@H](C)[C@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000042552519 171391046 /nfs/dbraw/zinc/39/10/46/171391046.db2.gz RNNSENRSKNXZIS-QWRGUYRKSA-N 1 0 243.354 3.664 10 0 BHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000042553364 170773863 /nfs/dbraw/zinc/77/38/63/170773863.db2.gz BBZPGEOZTNFNPU-HZSPNIEDSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000042553367 171366248 /nfs/dbraw/zinc/36/62/48/171366248.db2.gz BBZPGEOZTNFNPU-MELADBBJSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000042553370 170791863 /nfs/dbraw/zinc/79/18/63/170791863.db2.gz BBZPGEOZTNFNPU-RDBSUJKOSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000042553374 171390518 /nfs/dbraw/zinc/39/05/18/171390518.db2.gz BBZPGEOZTNFNPU-IHRRRGAJSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000042553425 170773653 /nfs/dbraw/zinc/77/36/53/170773653.db2.gz IEFMFSHQVQHPIM-CHWSQXEVSA-N 1 0 235.371 3.528 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000042553428 171365998 /nfs/dbraw/zinc/36/59/98/171365998.db2.gz IEFMFSHQVQHPIM-QWHCGFSZSA-N 1 0 235.371 3.528 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000042553434 171389318 /nfs/dbraw/zinc/38/93/18/171389318.db2.gz IEFMFSHQVQHPIM-STQMWFEESA-N 1 0 235.371 3.528 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000042553746 171366024 /nfs/dbraw/zinc/36/60/24/171366024.db2.gz OYDQHOOKUDNFJR-UONOGXRCSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000042553749 170791229 /nfs/dbraw/zinc/79/12/29/170791229.db2.gz OYDQHOOKUDNFJR-KGLIPLIRSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000042553751 171389373 /nfs/dbraw/zinc/38/93/73/171389373.db2.gz OYDQHOOKUDNFJR-KBPBESRZSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000042554138 170792390 /nfs/dbraw/zinc/79/23/90/170792390.db2.gz WIPLZVPAEURLED-AGIUHOORSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000042554204 170774261 /nfs/dbraw/zinc/77/42/61/170774261.db2.gz SWUNCBXGCIYIIJ-LALPHHSUSA-N 1 0 249.423 3.999 10 0 BHAERO CC[C@H](C)[C@@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000042557740 171367392 /nfs/dbraw/zinc/36/73/92/171367392.db2.gz KIGGYDOUICMGFD-WDEREUQCSA-N 1 0 231.343 3.534 10 0 BHAERO CC[C@H](C)[C@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000042557747 171392234 /nfs/dbraw/zinc/39/22/34/171392234.db2.gz KIGGYDOUICMGFD-QWRGUYRKSA-N 1 0 231.343 3.534 10 0 BHAERO CCCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2 ZINC000042574142 168743828 /nfs/dbraw/zinc/74/38/28/168743828.db2.gz DFOWXKBTIJRUBX-ZDUSSCGKSA-N 1 0 246.398 3.713 10 0 BHAERO CC(C)C[C@@H](C)N(C)c1ccccc1[C@@H](C)[NH3+] ZINC000042584551 188293325 /nfs/dbraw/zinc/29/33/25/188293325.db2.gz LRKCWFFAVMNLNC-CHWSQXEVSA-N 1 0 234.387 3.577 10 0 BHAERO CC(C)C[C@H](C)N(C)c1ccccc1[C@@H](C)[NH3+] ZINC000042584554 188294337 /nfs/dbraw/zinc/29/43/37/188294337.db2.gz LRKCWFFAVMNLNC-QWHCGFSZSA-N 1 0 234.387 3.577 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000042584604 384643118 /nfs/dbraw/zinc/64/31/18/384643118.db2.gz YLDJAKOUUOKPLJ-HNNXBMFYSA-N 1 0 219.372 3.828 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000042584608 322838981 /nfs/dbraw/zinc/83/89/81/322838981.db2.gz YLDJAKOUUOKPLJ-OAHLLOKOSA-N 1 0 219.372 3.828 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](CC)C(C)C)cc1 ZINC000042584676 384643388 /nfs/dbraw/zinc/64/33/88/384643388.db2.gz LCXNTWDPBBCVBE-HNNXBMFYSA-N 1 0 219.372 3.773 10 0 BHAERO CCc1ccc(C[NH2+][C@H](CC)C(C)C)cc1 ZINC000042584678 322838948 /nfs/dbraw/zinc/83/89/48/322838948.db2.gz LCXNTWDPBBCVBE-OAHLLOKOSA-N 1 0 219.372 3.773 10 0 BHAERO CC(C)CN(c1ccccc1[C@@H](C)[NH3+])C(C)C ZINC000042584796 166961020 /nfs/dbraw/zinc/96/10/20/166961020.db2.gz ITWQOSANLJYMNH-CYBMUJFWSA-N 1 0 234.387 3.577 10 0 BHAERO CC(C)CN(c1ccccc1[C@H](C)[NH3+])C(C)C ZINC000042584798 166964553 /nfs/dbraw/zinc/96/45/53/166964553.db2.gz ITWQOSANLJYMNH-ZDUSSCGKSA-N 1 0 234.387 3.577 10 0 BHAERO C[NH2+][C@H](C)c1ccccc1N(CC(C)C)C(C)C ZINC000042584863 173449487 /nfs/dbraw/zinc/44/94/87/173449487.db2.gz QNGDMQGEACQOLS-CQSZACIVSA-N 1 0 248.414 3.838 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000042584878 171537703 /nfs/dbraw/zinc/53/77/03/171537703.db2.gz AMXKBYIGADUPKE-WFASDCNBSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000042584881 170908591 /nfs/dbraw/zinc/90/85/91/170908591.db2.gz AMXKBYIGADUPKE-SWLSCSKDSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)C(C)C ZINC000042584884 343000426 /nfs/dbraw/zinc/00/04/26/343000426.db2.gz AMXKBYIGADUPKE-DOMZBBRYSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)C(C)C ZINC000042584886 343000319 /nfs/dbraw/zinc/00/03/19/343000319.db2.gz AMXKBYIGADUPKE-IUODEOHRSA-N 1 0 235.371 3.780 10 0 BHAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1ccc(O)cc1 ZINC000042584889 171539322 /nfs/dbraw/zinc/53/93/22/171539322.db2.gz PTKWTKBQKCZTBQ-GJZGRUSLSA-N 1 0 235.371 3.868 10 0 BHAERO CC[C@H]([NH2+]Cc1cccc(Cl)c1)C(C)C ZINC000042585064 384828671 /nfs/dbraw/zinc/82/86/71/384828671.db2.gz VTHCEMBBWRWOGD-ZDUSSCGKSA-N 1 0 225.763 3.864 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C(C)C ZINC000042585069 322975096 /nfs/dbraw/zinc/97/50/96/322975096.db2.gz VTHCEMBBWRWOGD-CYBMUJFWSA-N 1 0 225.763 3.864 10 0 BHAERO CCCOc1ccc(C[NH2+][C@@H](CC)C(C)C)cc1 ZINC000042585195 169318456 /nfs/dbraw/zinc/31/84/56/169318456.db2.gz KGTBMXVMTZPOJY-INIZCTEOSA-N 1 0 249.398 4.000 10 0 BHAERO CCCOc1ccc(C[NH2+][C@H](CC)C(C)C)cc1 ZINC000042585197 169319042 /nfs/dbraw/zinc/31/90/42/169319042.db2.gz KGTBMXVMTZPOJY-MRXNPFEDSA-N 1 0 249.398 4.000 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1nc(C)sc1C)C(C)C ZINC000042585360 538978232 /nfs/dbraw/zinc/97/82/32/538978232.db2.gz ABRVOHKOAFOPHU-CABZTGNLSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1nc(C)sc1C)C(C)C ZINC000042585363 538978216 /nfs/dbraw/zinc/97/82/16/538978216.db2.gz ABRVOHKOAFOPHU-JOYOIKCWSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1nc(C)sc1C)C(C)C ZINC000042585366 537892783 /nfs/dbraw/zinc/89/27/83/537892783.db2.gz ABRVOHKOAFOPHU-SKDRFNHKSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1nc(C)sc1C)C(C)C ZINC000042585369 537892013 /nfs/dbraw/zinc/89/20/13/537892013.db2.gz ABRVOHKOAFOPHU-BXKDBHETSA-N 1 0 240.416 3.845 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)C ZINC000042585390 343000399 /nfs/dbraw/zinc/00/03/99/343000399.db2.gz OIHHFBQQAAUWER-AWEZNQCLSA-N 1 0 235.371 3.533 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)C ZINC000042585393 343000169 /nfs/dbraw/zinc/00/01/69/343000169.db2.gz OIHHFBQQAAUWER-CQSZACIVSA-N 1 0 235.371 3.533 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1)C(C)C ZINC000042585696 538978083 /nfs/dbraw/zinc/97/80/83/538978083.db2.gz SKUAFRWRHCLSGW-BBRMVZONSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1)C(C)C ZINC000042585699 538978288 /nfs/dbraw/zinc/97/82/88/538978288.db2.gz SKUAFRWRHCLSGW-XJKSGUPXSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1)C(C)C ZINC000042585701 538978239 /nfs/dbraw/zinc/97/82/39/538978239.db2.gz SKUAFRWRHCLSGW-CJNGLKHVSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1)C(C)C ZINC000042585704 537891554 /nfs/dbraw/zinc/89/15/54/537891554.db2.gz SKUAFRWRHCLSGW-CZUORRHYSA-N 1 0 249.398 3.650 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)C(C)C ZINC000042585731 343000341 /nfs/dbraw/zinc/00/03/41/343000341.db2.gz AMQVSIOJAUQDHF-AWEZNQCLSA-N 1 0 235.371 3.528 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)C(C)C ZINC000042585734 343000250 /nfs/dbraw/zinc/00/02/50/343000250.db2.gz AMQVSIOJAUQDHF-CQSZACIVSA-N 1 0 235.371 3.528 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1csc(C)n1)C(C)C ZINC000042585871 344459494 /nfs/dbraw/zinc/45/94/94/344459494.db2.gz SPQWZRIQWOCPDA-ONGXEEELSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)C(C)C ZINC000042585874 344459473 /nfs/dbraw/zinc/45/94/73/344459473.db2.gz SPQWZRIQWOCPDA-GXSJLCMTSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1csc(C)n1)C(C)C ZINC000042585877 344459171 /nfs/dbraw/zinc/45/91/71/344459171.db2.gz SPQWZRIQWOCPDA-KOLCDFICSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1csc(C)n1)C(C)C ZINC000042585880 344459305 /nfs/dbraw/zinc/45/93/05/344459305.db2.gz SPQWZRIQWOCPDA-MWLCHTKSSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)C(C)C ZINC000042585901 343000447 /nfs/dbraw/zinc/00/04/47/343000447.db2.gz HASMAFPAMDLSBP-INIZCTEOSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)C(C)C ZINC000042585904 343000433 /nfs/dbraw/zinc/00/04/33/343000433.db2.gz HASMAFPAMDLSBP-MRXNPFEDSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(C)C ZINC000042586070 171549377 /nfs/dbraw/zinc/54/93/77/171549377.db2.gz RMPUSICMEZNYFC-HOTGVXAUSA-N 1 0 231.383 3.568 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000042586114 322839181 /nfs/dbraw/zinc/83/91/81/322839181.db2.gz AXLIDFJXLCOGCA-HNNXBMFYSA-N 1 0 219.372 3.828 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000042586117 322839077 /nfs/dbraw/zinc/83/90/77/322839077.db2.gz AXLIDFJXLCOGCA-OAHLLOKOSA-N 1 0 219.372 3.828 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000042586199 641555600 /nfs/dbraw/zinc/55/56/00/641555600.db2.gz CZEUWKFFMFQOGG-WFASDCNBSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000042586202 641556487 /nfs/dbraw/zinc/55/64/87/641556487.db2.gz CZEUWKFFMFQOGG-SWLSCSKDSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000042586205 641556387 /nfs/dbraw/zinc/55/63/87/641556387.db2.gz CZEUWKFFMFQOGG-DOMZBBRYSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000042586208 641556491 /nfs/dbraw/zinc/55/64/91/641556491.db2.gz CZEUWKFFMFQOGG-IUODEOHRSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CSCc2ccccc21)C(C)C ZINC000042586291 170910213 /nfs/dbraw/zinc/91/02/13/170910213.db2.gz ZHSVKHNEDIDSBQ-HUUCEWRRSA-N 1 0 249.423 3.999 10 0 BHAERO CC[C@H]([NH2+][C@H]1CSCc2ccccc21)C(C)C ZINC000042586293 171549203 /nfs/dbraw/zinc/54/92/03/171549203.db2.gz ZHSVKHNEDIDSBQ-GJZGRUSLSA-N 1 0 249.423 3.999 10 0 BHAERO CCCOc1cccc(C[NH2+][C@@H](CC)C(C)C)c1 ZINC000042586436 169325407 /nfs/dbraw/zinc/32/54/07/169325407.db2.gz LRIJTEODNIXEFC-INIZCTEOSA-N 1 0 249.398 4.000 10 0 BHAERO CCCOc1cccc(C[NH2+][C@H](CC)C(C)C)c1 ZINC000042586439 169324649 /nfs/dbraw/zinc/32/46/49/169324649.db2.gz LRIJTEODNIXEFC-MRXNPFEDSA-N 1 0 249.398 4.000 10 0 BHAERO CC[C@H]([NH2+]Cc1cccc(OC(C)C)c1)C(C)C ZINC000042586487 343000369 /nfs/dbraw/zinc/00/03/69/343000369.db2.gz AVPWXZCWPXBRQA-INIZCTEOSA-N 1 0 249.398 3.998 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc(OC(C)C)c1)C(C)C ZINC000042586490 343000255 /nfs/dbraw/zinc/00/02/55/343000255.db2.gz AVPWXZCWPXBRQA-MRXNPFEDSA-N 1 0 249.398 3.998 10 0 BHAERO Cc1ccc(C(=O)C[N@@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000042586583 187266411 /nfs/dbraw/zinc/26/64/11/187266411.db2.gz NNQKIQXYXDIFOY-AWEZNQCLSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccc(C(=O)C[N@@H+](C)[C@H](C)CC(C)C)cc1 ZINC000042586586 188293365 /nfs/dbraw/zinc/29/33/65/188293365.db2.gz NNQKIQXYXDIFOY-CQSZACIVSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccccc1C(=O)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000042586709 179245346 /nfs/dbraw/zinc/24/53/46/179245346.db2.gz BAYMFZVCJGVLTQ-AWEZNQCLSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1cccc(C(=O)C[N@@H+](CC(C)C)C(C)C)c1 ZINC000042587656 179003791 /nfs/dbraw/zinc/00/37/91/179003791.db2.gz VWUVYDFJJXITAB-UHFFFAOYSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccccc1C(=O)C[N@@H+](CC(C)C)C(C)C ZINC000042587800 179246343 /nfs/dbraw/zinc/24/63/43/179246343.db2.gz PQEWYPRWDLEQIW-UHFFFAOYSA-N 1 0 247.382 3.544 10 0 BHAERO CC[NH2+]Cc1ccccc1N(C)[C@@H](C)CC(C)C ZINC000042588433 170128643 /nfs/dbraw/zinc/12/86/43/170128643.db2.gz QWFJYZFNQKXXOQ-AWEZNQCLSA-N 1 0 248.414 3.667 10 0 BHAERO CC[NH2+]Cc1ccccc1N(C)[C@H](C)CC(C)C ZINC000042588436 170128242 /nfs/dbraw/zinc/12/82/42/170128242.db2.gz QWFJYZFNQKXXOQ-CQSZACIVSA-N 1 0 248.414 3.667 10 0 BHAERO CC[NH2+]Cc1ccccc1N(CC(C)C)C(C)C ZINC000042588848 170128213 /nfs/dbraw/zinc/12/82/13/170128213.db2.gz INGUWPGELMNDEZ-UHFFFAOYSA-N 1 0 248.414 3.667 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc2ncccc2c1)C(C)C ZINC000042589382 358527358 /nfs/dbraw/zinc/52/73/58/358527358.db2.gz NHUILDONFFBMFK-HNNXBMFYSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc2ncccc2c1)C(C)C ZINC000042589385 170902028 /nfs/dbraw/zinc/90/20/28/170902028.db2.gz NHUILDONFFBMFK-OAHLLOKOSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@H](C(C)C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000042591893 171243496 /nfs/dbraw/zinc/24/34/96/171243496.db2.gz KTOWAHKINXWLKZ-GFCCVEGCSA-N 1 0 231.343 3.534 10 0 BHAERO CCCC[N@H+](Cc1cccc(N)c1C)[C@@H](C)CC ZINC000042600741 168820265 /nfs/dbraw/zinc/82/02/65/168820265.db2.gz WLHZZHQSCSBEGG-ZDUSSCGKSA-N 1 0 248.414 3.978 10 0 BHAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000042601782 176015707 /nfs/dbraw/zinc/01/57/07/176015707.db2.gz JEHJACFNWZEXGT-WWGRRREGSA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000042601786 176015240 /nfs/dbraw/zinc/01/52/40/176015240.db2.gz JEHJACFNWZEXGT-DVOMOZLQSA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042601788 177087081 /nfs/dbraw/zinc/08/70/81/177087081.db2.gz JEHJACFNWZEXGT-HEHGZKQESA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H](c1cccc(N)c1)[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000042601790 176017947 /nfs/dbraw/zinc/01/79/47/176017947.db2.gz VEISISHRXFGCDH-WWGRRREGSA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H](c1cccc(N)c1)[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000042601794 176017529 /nfs/dbraw/zinc/01/75/29/176017529.db2.gz VEISISHRXFGCDH-DVOMOZLQSA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H](c1cccc(N)c1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042601796 177087286 /nfs/dbraw/zinc/08/72/86/177087286.db2.gz VEISISHRXFGCDH-HEHGZKQESA-N 1 0 246.398 3.840 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)[C@H]1CCCC[C@H]1C ZINC000042608094 187603025 /nfs/dbraw/zinc/60/30/25/187603025.db2.gz GZKIHNXRMXEVOU-NFAWXSAZSA-N 1 0 246.398 3.721 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000042608095 177081897 /nfs/dbraw/zinc/08/18/97/177081897.db2.gz GZKIHNXRMXEVOU-GUTXKFCHSA-N 1 0 246.398 3.721 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)[C@@H]1CCCC[C@H]1C ZINC000042608096 187266524 /nfs/dbraw/zinc/26/65/24/187266524.db2.gz GZKIHNXRMXEVOU-UMVBOHGHSA-N 1 0 246.398 3.721 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000042608097 177086605 /nfs/dbraw/zinc/08/66/05/177086605.db2.gz GZKIHNXRMXEVOU-GZBFAFLISA-N 1 0 246.398 3.721 10 0 BHAERO C[NH2+][C@@H](c1sccc1C)C1CCCC1 ZINC000042729190 374284261 /nfs/dbraw/zinc/28/42/61/374284261.db2.gz RKJPIAUNWPIYMW-LLVKDONJSA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@H](c1sccc1C)C1CCCC1 ZINC000042729191 374284081 /nfs/dbraw/zinc/28/40/81/374284081.db2.gz RKJPIAUNWPIYMW-NSHDSACASA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@@H](c1sccc1C)c1cccc(C)c1C ZINC000042729390 173457695 /nfs/dbraw/zinc/45/76/95/173457695.db2.gz MGAQPSOISRSBFK-CQSZACIVSA-N 1 0 245.391 3.982 10 0 BHAERO C[NH2+][C@H](c1sccc1C)c1ccc(C)c(F)c1 ZINC000042729427 173427985 /nfs/dbraw/zinc/42/79/85/173427985.db2.gz LYVOHJUOHSKAGF-ZDUSSCGKSA-N 1 0 249.354 3.813 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1sccc1C ZINC000042729577 170146990 /nfs/dbraw/zinc/14/69/90/170146990.db2.gz HQSGPZSYINGDEU-ZDUSSCGKSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1sccc1C ZINC000042729580 170163195 /nfs/dbraw/zinc/16/31/95/170163195.db2.gz HQSGPZSYINGDEU-CYBMUJFWSA-N 1 0 249.379 3.965 10 0 BHAERO CC[NH2+][C@H](c1sccc1C)c1cccc(F)c1 ZINC000042729977 170148375 /nfs/dbraw/zinc/14/83/75/170148375.db2.gz HBHVHHJITIQILY-ZDUSSCGKSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1sccc1C)c1cccc(F)c1 ZINC000042729980 170164058 /nfs/dbraw/zinc/16/40/58/170164058.db2.gz HBHVHHJITIQILY-CYBMUJFWSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1sccc1C)c1ccccc1F ZINC000042729999 170148488 /nfs/dbraw/zinc/14/84/88/170148488.db2.gz WZAQNZLPQNITLD-ZDUSSCGKSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1sccc1C)c1ccccc1F ZINC000042730002 170165065 /nfs/dbraw/zinc/16/50/65/170165065.db2.gz WZAQNZLPQNITLD-CYBMUJFWSA-N 1 0 249.354 3.895 10 0 BHAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042737181 176015823 /nfs/dbraw/zinc/01/58/23/176015823.db2.gz HDMCWHFPTUMYAE-RYUDHWBXSA-N 1 0 234.387 3.696 10 0 BHAERO C[C@@H](c1cccc(N)c1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042737187 176018172 /nfs/dbraw/zinc/01/81/72/176018172.db2.gz GZWSTONYPZSFNI-RYUDHWBXSA-N 1 0 234.387 3.696 10 0 BHAERO C[C@H](C(=O)c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042739450 176744774 /nfs/dbraw/zinc/74/47/74/176744774.db2.gz BRZPJCRONLZCRU-OLZOCXBDSA-N 1 0 247.382 3.624 10 0 BHAERO Cc1ccc(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000042773738 188294512 /nfs/dbraw/zinc/29/45/12/188294512.db2.gz QQGKHXKJHBLONF-CYBMUJFWSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1cccc(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000042773982 179004536 /nfs/dbraw/zinc/00/45/36/179004536.db2.gz RNJZRFZWKGUNQL-CYBMUJFWSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccccc1C(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042774229 179246375 /nfs/dbraw/zinc/24/63/75/179246375.db2.gz WNNRKXQNXOFYKY-ZDUSSCGKSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccccc1C(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000042774233 179246481 /nfs/dbraw/zinc/24/64/81/179246481.db2.gz WNNRKXQNXOFYKY-CYBMUJFWSA-N 1 0 247.382 3.544 10 0 BHAERO CC[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)(C)C ZINC000042777201 170128606 /nfs/dbraw/zinc/12/86/06/170128606.db2.gz YHKCOYPAVDYHPW-ZDUSSCGKSA-N 1 0 248.414 3.667 10 0 BHAERO CC[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)(C)C ZINC000042777203 170128077 /nfs/dbraw/zinc/12/80/77/170128077.db2.gz YHKCOYPAVDYHPW-CYBMUJFWSA-N 1 0 248.414 3.667 10 0 BHAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000042856810 176076940 /nfs/dbraw/zinc/07/69/40/176076940.db2.gz WRKDZAGPNGADNP-GDBMZVCRSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000042856814 177080070 /nfs/dbraw/zinc/08/00/70/177080070.db2.gz WRKDZAGPNGADNP-GOEBONIOSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000042856818 176085938 /nfs/dbraw/zinc/08/59/38/176085938.db2.gz WRKDZAGPNGADNP-ZBFHGGJFSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@H]1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000042856822 177086221 /nfs/dbraw/zinc/08/62/21/177086221.db2.gz WRKDZAGPNGADNP-HOCLYGCPSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccc(O)cc1 ZINC000042857101 176868639 /nfs/dbraw/zinc/86/86/39/176868639.db2.gz UCAJUVTYOUHREN-KCQAQPDRSA-N 1 0 247.382 3.869 10 0 BHAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000042858147 176076951 /nfs/dbraw/zinc/07/69/51/176076951.db2.gz CDWUBSDDIIDYFL-CZUORRHYSA-N 1 0 243.394 3.570 10 0 BHAERO C[C@H]1CCCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000042858150 177080033 /nfs/dbraw/zinc/08/00/33/177080033.db2.gz CDWUBSDDIIDYFL-XJKSGUPXSA-N 1 0 243.394 3.570 10 0 BHAERO C[C@@H]1CCCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000042858153 176084638 /nfs/dbraw/zinc/08/46/38/176084638.db2.gz CDWUBSDDIIDYFL-CJNGLKHVSA-N 1 0 243.394 3.570 10 0 BHAERO C[C@H]1CCCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000042858156 177086290 /nfs/dbraw/zinc/08/62/90/177086290.db2.gz CDWUBSDDIIDYFL-BBRMVZONSA-N 1 0 243.394 3.570 10 0 BHAERO C[C@H]1CCCC[C@@H]1CNc1ccc(N)cc1F ZINC000042859959 177080746 /nfs/dbraw/zinc/08/07/46/177080746.db2.gz ZPGCUOUQRWQIPA-WDEREUQCSA-N 1 0 236.334 3.646 10 0 BHAERO C[C@H]1CCCC[C@H]1CNc1ccc(N)cc1F ZINC000042859963 177086103 /nfs/dbraw/zinc/08/61/03/177086103.db2.gz ZPGCUOUQRWQIPA-QWRGUYRKSA-N 1 0 236.334 3.646 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899797 170968514 /nfs/dbraw/zinc/96/85/14/170968514.db2.gz YCZLLPWFUURFOR-KBMXLJTQSA-N 1 0 247.382 3.672 10 0 BHAERO CC[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899806 171613043 /nfs/dbraw/zinc/61/30/43/171613043.db2.gz YCZLLPWFUURFOR-IMJJTQAJSA-N 1 0 247.382 3.672 10 0 BHAERO CCCC[C@@H](CC)CO[C@@H](C[NH3+])c1ccccc1 ZINC000042900006 168959385 /nfs/dbraw/zinc/95/93/85/168959385.db2.gz FHNCZZXZSQYKHO-ZBFHGGJFSA-N 1 0 249.398 3.919 10 0 BHAERO CCCC[C@@H](CC)CO[C@H](C[NH3+])c1ccccc1 ZINC000042900012 168959447 /nfs/dbraw/zinc/95/94/47/168959447.db2.gz FHNCZZXZSQYKHO-GDBMZVCRSA-N 1 0 249.398 3.919 10 0 BHAERO CCCC[C@H](CC)CO[C@H](C[NH3+])c1ccccc1 ZINC000042900015 168998333 /nfs/dbraw/zinc/99/83/33/168998333.db2.gz FHNCZZXZSQYKHO-GOEBONIOSA-N 1 0 249.398 3.919 10 0 BHAERO Cc1ccc(S[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000042900255 178829358 /nfs/dbraw/zinc/82/93/58/178829358.db2.gz WBWJEPBPOGLLNQ-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1ccccc1S[C@@H](C[NH3+])c1ccccc1 ZINC000042900529 188121616 /nfs/dbraw/zinc/12/16/16/188121616.db2.gz LHODNNKNWZUCBS-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1ccccc1S[C@H](C[NH3+])c1ccccc1 ZINC000042900532 179316307 /nfs/dbraw/zinc/31/63/07/179316307.db2.gz LHODNNKNWZUCBS-OAHLLOKOSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1cccc(S[C@@H](C[NH3+])c2ccccc2)c1 ZINC000042900560 179177529 /nfs/dbraw/zinc/17/75/29/179177529.db2.gz UKEXNUQRCJIGRC-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1cccc(S[C@H](C[NH3+])c2ccccc2)c1 ZINC000042900563 179176735 /nfs/dbraw/zinc/17/67/35/179176735.db2.gz UKEXNUQRCJIGRC-OAHLLOKOSA-N 1 0 243.375 3.787 10 0 BHAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccccc1 ZINC000042903558 168167916 /nfs/dbraw/zinc/16/79/16/168167916.db2.gz FSHBJTDXRIXPNY-QFXNTCPOSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccccc1 ZINC000042903561 168167903 /nfs/dbraw/zinc/16/79/03/168167903.db2.gz FSHBJTDXRIXPNY-FYAIKVRKSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccccc1 ZINC000042903563 168168627 /nfs/dbraw/zinc/16/86/27/168168627.db2.gz FSHBJTDXRIXPNY-UNRBTCAZSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccccc1 ZINC000042903566 168167864 /nfs/dbraw/zinc/16/78/64/168167864.db2.gz FSHBJTDXRIXPNY-FQSHHYAASA-N 1 0 247.382 3.670 10 0 BHAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000042903602 177090518 /nfs/dbraw/zinc/09/05/18/177090518.db2.gz GSPUSPPWZBOGQP-SJXGUFTOSA-N 1 0 247.382 3.670 10 0 BHAERO CC(C)C[C@H](C)O[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903760 187604202 /nfs/dbraw/zinc/60/42/02/187604202.db2.gz CUWJYOJDBIOWPS-GZBFAFLISA-N 1 0 235.371 3.526 10 0 BHAERO CC(C)C[C@H](C)O[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903764 188121426 /nfs/dbraw/zinc/12/14/26/188121426.db2.gz CUWJYOJDBIOWPS-GUTXKFCHSA-N 1 0 235.371 3.526 10 0 BHAERO CCCCCCO[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903972 168671755 /nfs/dbraw/zinc/67/17/55/168671755.db2.gz JSEHIAWEZACDER-DZGCQCFKSA-N 1 0 235.371 3.672 10 0 BHAERO CCCCCCO[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903974 168671396 /nfs/dbraw/zinc/67/13/96/168671396.db2.gz JSEHIAWEZACDER-ZFWWWQNUSA-N 1 0 235.371 3.672 10 0 BHAERO C[C@@H]([NH3+])[C@@H](O[C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000042903984 176145948 /nfs/dbraw/zinc/14/59/48/176145948.db2.gz JAFFXDFBVCRHDE-LUYZLQTOSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000042903988 176125152 /nfs/dbraw/zinc/12/51/52/176125152.db2.gz JAFFXDFBVCRHDE-RRCSTGOVSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1ccccc1 ZINC000042904291 176770963 /nfs/dbraw/zinc/77/09/63/176770963.db2.gz PHUPFBNJHBCIQZ-BBRMVZONSA-N 1 0 247.382 3.814 10 0 BHAERO C[C@@H]([NH3+])[C@H](OC1CCCCCC1)c1ccccc1 ZINC000042904294 175812690 /nfs/dbraw/zinc/81/26/90/175812690.db2.gz PHUPFBNJHBCIQZ-CJNGLKHVSA-N 1 0 247.382 3.814 10 0 BHAERO C[C@@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccccc1 ZINC000042904300 175809811 /nfs/dbraw/zinc/80/98/11/175809811.db2.gz PHUPFBNJHBCIQZ-CZUORRHYSA-N 1 0 247.382 3.814 10 0 BHAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1 ZINC000042904410 175809806 /nfs/dbraw/zinc/80/98/06/175809806.db2.gz XBWAXVVOCOCCJP-IUODEOHRSA-N 1 0 243.375 3.867 10 0 BHAERO C[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1 ZINC000042904782 175812753 /nfs/dbraw/zinc/81/27/53/175812753.db2.gz QGYOWXRIAGRIIZ-RISCZKNCSA-N 1 0 247.363 3.601 10 0 BHAERO C[C@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1 ZINC000042904785 176765192 /nfs/dbraw/zinc/76/51/92/176765192.db2.gz QGYOWXRIAGRIIZ-SMDDNHRTSA-N 1 0 247.363 3.601 10 0 BHAERO C[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1 ZINC000042904788 175809734 /nfs/dbraw/zinc/80/97/34/175809734.db2.gz QGYOWXRIAGRIIZ-BXUZGUMPSA-N 1 0 247.363 3.601 10 0 BHAERO Cc1ccc([C@H](C[NH3+])O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000042907204 178903535 /nfs/dbraw/zinc/90/35/35/178903535.db2.gz JSRAJVJQTFXBNW-IMJJTQAJSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccc([C@@H](C[NH3+])OC2CCCCCC2)cc1 ZINC000042907318 178855633 /nfs/dbraw/zinc/85/56/33/178855633.db2.gz KGOJZKUJICWHFO-MRXNPFEDSA-N 1 0 247.382 3.734 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042907890 169150967 /nfs/dbraw/zinc/15/09/67/169150967.db2.gz WVLUFRSHCONYIM-GDBMZVCRSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042907893 169152408 /nfs/dbraw/zinc/15/24/08/169152408.db2.gz WVLUFRSHCONYIM-ZBFHGGJFSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1ccc(C)cc1)[C@H](C)N ZINC000042907896 169150032 /nfs/dbraw/zinc/15/00/32/169150032.db2.gz WVLUFRSHCONYIM-GOEBONIOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1ccc(C)cc1)[C@H](C)N ZINC000042907899 169152895 /nfs/dbraw/zinc/15/28/95/169152895.db2.gz WVLUFRSHCONYIM-HOCLYGCPSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[N@H+](C(C)C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908245 169048810 /nfs/dbraw/zinc/04/88/10/169048810.db2.gz YJXPUTOOHOESCZ-GDBMZVCRSA-N 1 0 248.414 3.504 10 0 BHAERO CCC[N@H+](C(C)C)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908248 169049866 /nfs/dbraw/zinc/04/98/66/169049866.db2.gz YJXPUTOOHOESCZ-ZBFHGGJFSA-N 1 0 248.414 3.504 10 0 BHAERO CC[C@H](C)[N@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908285 171311880 /nfs/dbraw/zinc/31/18/80/171311880.db2.gz QJRGSZMWGPURFF-SQWLQELKSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908494 168368705 /nfs/dbraw/zinc/36/87/05/168368705.db2.gz VIENBOGHKIEBDW-CZUORRHYSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908497 168369466 /nfs/dbraw/zinc/36/94/66/168369466.db2.gz VIENBOGHKIEBDW-CJNGLKHVSA-N 1 0 248.414 3.504 10 0 BHAERO Cc1ccc([C@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+])cc1 ZINC000042911129 178916495 /nfs/dbraw/zinc/91/64/95/178916495.db2.gz QAHTUHZDGZMTII-SQWLQELKSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1ccc([C@H](O[C@@H](C)CC(C)C)[C@H](C)[NH3+])cc1 ZINC000042911137 178916064 /nfs/dbraw/zinc/91/60/64/178916064.db2.gz QAHTUHZDGZMTII-OFQRWUPVSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1ccc([C@@H](OCCCC(C)C)[C@H](C)[NH3+])cc1 ZINC000042911395 178869217 /nfs/dbraw/zinc/86/92/17/178869217.db2.gz XAMPMFGNCKSWDR-HOCLYGCPSA-N 1 0 249.398 3.836 10 0 BHAERO CCC(C)(C)O[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042911399 168304814 /nfs/dbraw/zinc/30/48/14/168304814.db2.gz AICGVWHXTIZFGF-TZMCWYRMSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042911402 168304576 /nfs/dbraw/zinc/30/45/76/168304576.db2.gz AICGVWHXTIZFGF-OCCSQVGLSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042911405 168304640 /nfs/dbraw/zinc/30/46/40/168304640.db2.gz AICGVWHXTIZFGF-GXTWGEPZSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042911409 168304323 /nfs/dbraw/zinc/30/43/23/168304323.db2.gz AICGVWHXTIZFGF-JSGCOSHPSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@H]([NH3+])[C@@H](OC1CCCC1)c1ccc(C)cc1 ZINC000042916035 171487806 /nfs/dbraw/zinc/48/78/06/171487806.db2.gz JKIZZEBJDUCWRZ-HOTGVXAUSA-N 1 0 247.382 3.733 10 0 BHAERO CC[C@H]([NH3+])[C@@H](OCCC(C)C)c1ccc(C)cc1 ZINC000042916477 171487934 /nfs/dbraw/zinc/48/79/34/171487934.db2.gz BUFBHNMNWQUMFR-HOTGVXAUSA-N 1 0 249.398 3.836 10 0 BHAERO CC[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccc(C)cc1 ZINC000042916821 171487618 /nfs/dbraw/zinc/48/76/18/171487618.db2.gz SAFDFNOHDKHUJO-KBPBESRZSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](OC(C)(C)C)c1ccc(C)cc1 ZINC000042916822 170867102 /nfs/dbraw/zinc/86/71/02/170867102.db2.gz SAFDFNOHDKHUJO-KGLIPLIRSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@H]([NH3+])[C@@H](OC(C)(C)CC)c1ccc(C)cc1 ZINC000042916853 171487104 /nfs/dbraw/zinc/48/71/04/171487104.db2.gz LKQZJOPCPNWHPP-GJZGRUSLSA-N 1 0 249.398 3.979 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](OC(C)(C)CC)c1ccc(C)cc1 ZINC000042916854 170867307 /nfs/dbraw/zinc/86/73/07/170867307.db2.gz LKQZJOPCPNWHPP-CABCVRRESA-N 1 0 249.398 3.979 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1ccc(C)cc1 ZINC000042942560 171355267 /nfs/dbraw/zinc/35/52/67/171355267.db2.gz POVWUMNQMAVVLA-CFVMTHIKSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccc(C)cc1 ZINC000042942564 171355056 /nfs/dbraw/zinc/35/50/56/171355056.db2.gz POVWUMNQMAVVLA-NWANDNLSSA-N 1 0 235.371 3.589 10 0 BHAERO [NH3+]C[C@@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000042942864 181424518 /nfs/dbraw/zinc/42/45/18/181424518.db2.gz DYIVEKJHKNMKGQ-CQSZACIVSA-N 1 0 247.338 3.618 10 0 BHAERO C[C@H]([NH3+])[C@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000042949239 176771303 /nfs/dbraw/zinc/77/13/03/176771303.db2.gz LDJRRWVWUYVGBM-CABZTGNLSA-N 1 0 241.762 3.543 10 0 BHAERO C[C@@H]([NH3+])[C@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000042949242 175812303 /nfs/dbraw/zinc/81/23/03/175812303.db2.gz LDJRRWVWUYVGBM-SKDRFNHKSA-N 1 0 241.762 3.543 10 0 BHAERO C[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000042949245 176765247 /nfs/dbraw/zinc/76/52/47/176765247.db2.gz LDJRRWVWUYVGBM-JOYOIKCWSA-N 1 0 241.762 3.543 10 0 BHAERO C[C@@H]([NH3+])[C@@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000042949247 175809451 /nfs/dbraw/zinc/80/94/51/175809451.db2.gz LDJRRWVWUYVGBM-BXKDBHETSA-N 1 0 241.762 3.543 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965519 169150198 /nfs/dbraw/zinc/15/01/98/169150198.db2.gz PNHXZYKDRCENOJ-GDBMZVCRSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965521 169152972 /nfs/dbraw/zinc/15/29/72/169152972.db2.gz PNHXZYKDRCENOJ-ZBFHGGJFSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1cccc(C)c1)[C@H](C)N ZINC000042965523 169150876 /nfs/dbraw/zinc/15/08/76/169150876.db2.gz PNHXZYKDRCENOJ-GOEBONIOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1cccc(C)c1)[C@H](C)N ZINC000042965524 169151978 /nfs/dbraw/zinc/15/19/78/169151978.db2.gz PNHXZYKDRCENOJ-HOCLYGCPSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[N@H+](C(C)C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965976 169049983 /nfs/dbraw/zinc/04/99/83/169049983.db2.gz QJEZDEANGRBPLF-GDBMZVCRSA-N 1 0 248.414 3.504 10 0 BHAERO CCC[N@H+](C(C)C)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965978 169049782 /nfs/dbraw/zinc/04/97/82/169049782.db2.gz QJEZDEANGRBPLF-ZBFHGGJFSA-N 1 0 248.414 3.504 10 0 BHAERO CC[C@H](C)[N@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966028 171311975 /nfs/dbraw/zinc/31/19/75/171311975.db2.gz CWDVJYXUMJXRHX-SQWLQELKSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966310 168369610 /nfs/dbraw/zinc/36/96/10/168369610.db2.gz SHVHVFFVMYZPSO-CZUORRHYSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966312 168368731 /nfs/dbraw/zinc/36/87/31/168368731.db2.gz SHVHVFFVMYZPSO-CJNGLKHVSA-N 1 0 248.414 3.504 10 0 BHAERO Cc1cccc([C@H](OC2CCCCC2)[C@@H](C)[NH3+])c1 ZINC000042967881 179203388 /nfs/dbraw/zinc/20/33/88/179203388.db2.gz RXROPVGJISJHNU-CZUORRHYSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1cccc([C@@H](OC2CCCCC2)[C@@H](C)[NH3+])c1 ZINC000042967882 179188824 /nfs/dbraw/zinc/18/88/24/179188824.db2.gz RXROPVGJISJHNU-CJNGLKHVSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1cccc([C@H](OC2CCCCC2)[C@H](C)[NH3+])c1 ZINC000042967883 179203662 /nfs/dbraw/zinc/20/36/62/179203662.db2.gz RXROPVGJISJHNU-XJKSGUPXSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1cccc([C@@H](OC2CCCCC2)[C@H](C)[NH3+])c1 ZINC000042967884 179187698 /nfs/dbraw/zinc/18/76/98/179187698.db2.gz RXROPVGJISJHNU-BBRMVZONSA-N 1 0 247.382 3.733 10 0 BHAERO CC[C@@H]([NH3+])[C@H](OCCC(C)C)c1cccc(C)c1 ZINC000042968380 170868895 /nfs/dbraw/zinc/86/88/95/170868895.db2.gz JXRBWRBYCBEECJ-HZPDHXFCSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])OC2CCC(C)CC2)c1 ZINC000042968444 179185271 /nfs/dbraw/zinc/18/52/71/179185271.db2.gz INUVCWISPLLHHV-VDSRIPIWSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1cccc([C@H](C[NH3+])OC2CCC(C)CC2)c1 ZINC000042968446 179199155 /nfs/dbraw/zinc/19/91/55/179199155.db2.gz INUVCWISPLLHHV-MOQPWLNLSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1cccc([C@H](C[NH3+])O[C@@H]2CCCC[C@@H]2C)c1 ZINC000042968502 179199045 /nfs/dbraw/zinc/19/90/45/179199045.db2.gz IJJNDDYQFHKLES-IMJJTQAJSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1cccc([C@H](C[NH3+])O[C@H]2CCCC[C@@H]2C)c1 ZINC000042968506 179198287 /nfs/dbraw/zinc/19/82/87/179198287.db2.gz IJJNDDYQFHKLES-BPUTZDHNSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1cccc([C@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968609 179203104 /nfs/dbraw/zinc/20/31/04/179203104.db2.gz FHYQSNUJVYJHQI-SQWLQELKSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1cccc([C@@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968611 179188735 /nfs/dbraw/zinc/18/87/35/179188735.db2.gz FHYQSNUJVYJHQI-LZWOXQAQSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1cccc([C@H](O[C@@H](C)CC(C)C)[C@H](C)[NH3+])c1 ZINC000042968613 179203221 /nfs/dbraw/zinc/20/32/21/179203221.db2.gz FHYQSNUJVYJHQI-OFQRWUPVSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1cccc([C@H](OCCCC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968937 179203390 /nfs/dbraw/zinc/20/33/90/179203390.db2.gz GQUYPSATKQMCRM-GDBMZVCRSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1cccc([C@@H](OCCCC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968938 179189027 /nfs/dbraw/zinc/18/90/27/179189027.db2.gz GQUYPSATKQMCRM-ZBFHGGJFSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1cccc([C@H](OCCCC(C)C)[C@H](C)[NH3+])c1 ZINC000042968940 179203476 /nfs/dbraw/zinc/20/34/76/179203476.db2.gz GQUYPSATKQMCRM-GOEBONIOSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1cccc([C@@H](OCCCC(C)C)[C@H](C)[NH3+])c1 ZINC000042968942 179188360 /nfs/dbraw/zinc/18/83/60/179188360.db2.gz GQUYPSATKQMCRM-HOCLYGCPSA-N 1 0 249.398 3.836 10 0 BHAERO CCC(C)(C)O[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042968955 168304778 /nfs/dbraw/zinc/30/47/78/168304778.db2.gz DEFBJOXSASXCSR-TZMCWYRMSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042968957 168303676 /nfs/dbraw/zinc/30/36/76/168303676.db2.gz DEFBJOXSASXCSR-OCCSQVGLSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042968959 168304781 /nfs/dbraw/zinc/30/47/81/168304781.db2.gz DEFBJOXSASXCSR-GXTWGEPZSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042968961 168304826 /nfs/dbraw/zinc/30/48/26/168304826.db2.gz DEFBJOXSASXCSR-JSGCOSHPSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@@H]([NH3+])[C@H](OC(C)(C)CC)c1cccc(C)c1 ZINC000042968965 170868604 /nfs/dbraw/zinc/86/86/04/170868604.db2.gz VQALXBSJEVLQEM-HUUCEWRRSA-N 1 0 249.398 3.979 10 0 BHAERO CCCCCCO[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042968981 168672097 /nfs/dbraw/zinc/67/20/97/168672097.db2.gz GFVJUXZVRMVICY-HOCLYGCPSA-N 1 0 249.398 3.980 10 0 BHAERO Cc1cccc([C@H](C[NH3+])O[C@@H]2CCC[C@H](C)C2)c1 ZINC000042969013 179198993 /nfs/dbraw/zinc/19/89/93/179198993.db2.gz AHKHMILWLPXBMX-IMJJTQAJSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1cccc([C@H](C[NH3+])O[C@H]2CCC[C@H](C)C2)c1 ZINC000042969017 179198210 /nfs/dbraw/zinc/19/82/10/179198210.db2.gz AHKHMILWLPXBMX-BPUTZDHNSA-N 1 0 247.382 3.590 10 0 BHAERO CCCCO[C@@H](c1cccc(C)c1)[C@@H]([NH3+])CC ZINC000042969206 168911354 /nfs/dbraw/zinc/91/13/54/168911354.db2.gz WSFZISMAXNHNKC-GJZGRUSLSA-N 1 0 235.371 3.590 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1cccc(C)c1 ZINC000042969301 171355038 /nfs/dbraw/zinc/35/50/38/171355038.db2.gz AMQPCJLJEUHCRJ-CFVMTHIKSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1cccc(C)c1 ZINC000042969303 171356120 /nfs/dbraw/zinc/35/61/20/171356120.db2.gz AMQPCJLJEUHCRJ-NWANDNLSSA-N 1 0 235.371 3.589 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])OC2CCCCCC2)c1 ZINC000042969348 179184340 /nfs/dbraw/zinc/18/43/40/179184340.db2.gz YBWMBTYYRAWGGS-MRXNPFEDSA-N 1 0 247.382 3.734 10 0 BHAERO Cc1cccc([C@H](C[NH3+])OC2CCCCCC2)c1 ZINC000042969350 179198546 /nfs/dbraw/zinc/19/85/46/179198546.db2.gz YBWMBTYYRAWGGS-INIZCTEOSA-N 1 0 247.382 3.734 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])Sc2ccccc2)c1 ZINC000042969512 179184460 /nfs/dbraw/zinc/18/44/60/179184460.db2.gz VELCLLIJGMACKZ-OAHLLOKOSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1cccc([C@H](C[NH3+])Sc2ccccc2)c1 ZINC000042969514 179198414 /nfs/dbraw/zinc/19/84/14/179198414.db2.gz VELCLLIJGMACKZ-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])SCc2ccco2)c1 ZINC000042970026 179185172 /nfs/dbraw/zinc/18/51/72/179185172.db2.gz ZEDWKDGDFVRMQD-CQSZACIVSA-N 1 0 247.363 3.521 10 0 BHAERO Cc1cccc([C@H](C[NH3+])SCc2ccco2)c1 ZINC000042970028 179198407 /nfs/dbraw/zinc/19/84/07/179198407.db2.gz ZEDWKDGDFVRMQD-AWEZNQCLSA-N 1 0 247.363 3.521 10 0 BHAERO [NH3+]C[C@@H](Sc1ccccc1)c1cccc(F)c1 ZINC000042974328 181424084 /nfs/dbraw/zinc/42/40/84/181424084.db2.gz PUSGSKZJWPTTQD-CQSZACIVSA-N 1 0 247.338 3.618 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043033603 169150336 /nfs/dbraw/zinc/15/03/36/169150336.db2.gz VMIPQQSBHUHJCH-GDBMZVCRSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043033607 169152670 /nfs/dbraw/zinc/15/26/70/169152670.db2.gz VMIPQQSBHUHJCH-ZBFHGGJFSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@@H](c1ccccc1C)[C@H](C)N ZINC000043033610 169150294 /nfs/dbraw/zinc/15/02/94/169150294.db2.gz VMIPQQSBHUHJCH-GOEBONIOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[NH+](CCC)[C@H](c1ccccc1C)[C@H](C)N ZINC000043033613 169152661 /nfs/dbraw/zinc/15/26/61/169152661.db2.gz VMIPQQSBHUHJCH-HOCLYGCPSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[N@H+](C(C)C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034475 169048784 /nfs/dbraw/zinc/04/87/84/169048784.db2.gz MRIULXBQTDTAFC-GDBMZVCRSA-N 1 0 248.414 3.504 10 0 BHAERO CCC[N@H+](C(C)C)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043034478 169049144 /nfs/dbraw/zinc/04/91/44/169049144.db2.gz MRIULXBQTDTAFC-ZBFHGGJFSA-N 1 0 248.414 3.504 10 0 BHAERO CC[C@H](C)[N@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034569 171312097 /nfs/dbraw/zinc/31/20/97/171312097.db2.gz ILUADIOWCNXEAF-SQWLQELKSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043035078 168369215 /nfs/dbraw/zinc/36/92/15/168369215.db2.gz IWTQBGRVAACWCK-CZUORRHYSA-N 1 0 248.414 3.504 10 0 BHAERO CCC(CC)[N@H+](C)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043035081 168369309 /nfs/dbraw/zinc/36/93/09/168369309.db2.gz IWTQBGRVAACWCK-CJNGLKHVSA-N 1 0 248.414 3.504 10 0 BHAERO Cc1ccccc1[C@H](OC1CCCCC1)[C@@H](C)[NH3+] ZINC000043038061 179345175 /nfs/dbraw/zinc/34/51/75/179345175.db2.gz MQEZEQFSHOLGIA-CZUORRHYSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1ccccc1[C@@H](OC1CCCCC1)[C@@H](C)[NH3+] ZINC000043038063 179326623 /nfs/dbraw/zinc/32/66/23/179326623.db2.gz MQEZEQFSHOLGIA-CJNGLKHVSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1ccccc1[C@H](OC1CCCCC1)[C@H](C)[NH3+] ZINC000043038066 179345805 /nfs/dbraw/zinc/34/58/05/179345805.db2.gz MQEZEQFSHOLGIA-XJKSGUPXSA-N 1 0 247.382 3.733 10 0 BHAERO Cc1ccccc1[C@@H](OC1CCCCC1)[C@H](C)[NH3+] ZINC000043038069 179326136 /nfs/dbraw/zinc/32/61/36/179326136.db2.gz MQEZEQFSHOLGIA-BBRMVZONSA-N 1 0 247.382 3.733 10 0 BHAERO CC[C@@H]([NH3+])[C@H](OC1CCCC1)c1ccccc1C ZINC000043038102 170869198 /nfs/dbraw/zinc/86/91/98/170869198.db2.gz DSIDBFSBKQSJRG-HZPDHXFCSA-N 1 0 247.382 3.733 10 0 BHAERO CC[C@@H]([NH3+])[C@H](OCCC(C)C)c1ccccc1C ZINC000043039107 170869445 /nfs/dbraw/zinc/86/94/45/170869445.db2.gz MLZGXIWBBOLDFV-HZPDHXFCSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])OC1CCC(C)CC1 ZINC000043039190 179342814 /nfs/dbraw/zinc/34/28/14/179342814.db2.gz PRHXOBQWYIZCFR-PXCJXSSVSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])O[C@@H]1CCCC[C@@H]1C ZINC000043039267 179342245 /nfs/dbraw/zinc/34/22/45/179342245.db2.gz YFEGFFFWNOYUNL-IMJJTQAJSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])O[C@H]1CCCC[C@@H]1C ZINC000043039273 179341441 /nfs/dbraw/zinc/34/14/41/179341441.db2.gz YFEGFFFWNOYUNL-BPUTZDHNSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+] ZINC000043039413 179345593 /nfs/dbraw/zinc/34/55/93/179345593.db2.gz PSUXQCRVTNYQNB-SQWLQELKSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1ccccc1[C@@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+] ZINC000043039416 179329022 /nfs/dbraw/zinc/32/90/22/179329022.db2.gz PSUXQCRVTNYQNB-LZWOXQAQSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1ccccc1[C@H](O[C@@H](C)CC(C)C)[C@H](C)[NH3+] ZINC000043039419 179344978 /nfs/dbraw/zinc/34/49/78/179344978.db2.gz PSUXQCRVTNYQNB-OFQRWUPVSA-N 1 0 249.398 3.835 10 0 BHAERO Cc1ccccc1[C@H](OCCCC(C)C)[C@@H](C)[NH3+] ZINC000043039863 179345161 /nfs/dbraw/zinc/34/51/61/179345161.db2.gz JNUQNJVIQLCMHV-GDBMZVCRSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1ccccc1[C@@H](OCCCC(C)C)[C@@H](C)[NH3+] ZINC000043039865 179326878 /nfs/dbraw/zinc/32/68/78/179326878.db2.gz JNUQNJVIQLCMHV-ZBFHGGJFSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1ccccc1[C@H](OCCCC(C)C)[C@H](C)[NH3+] ZINC000043039868 179345902 /nfs/dbraw/zinc/34/59/02/179345902.db2.gz JNUQNJVIQLCMHV-GOEBONIOSA-N 1 0 249.398 3.836 10 0 BHAERO Cc1ccccc1[C@@H](OCCCC(C)C)[C@H](C)[NH3+] ZINC000043039871 179327063 /nfs/dbraw/zinc/32/70/63/179327063.db2.gz JNUQNJVIQLCMHV-HOCLYGCPSA-N 1 0 249.398 3.836 10 0 BHAERO CCC(C)(C)O[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043039890 168303719 /nfs/dbraw/zinc/30/37/19/168303719.db2.gz CAFZDJSVIBMFCP-TZMCWYRMSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043039892 168304792 /nfs/dbraw/zinc/30/47/92/168304792.db2.gz CAFZDJSVIBMFCP-OCCSQVGLSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043039895 168304831 /nfs/dbraw/zinc/30/48/31/168304831.db2.gz CAFZDJSVIBMFCP-GXTWGEPZSA-N 1 0 235.371 3.589 10 0 BHAERO CCC(C)(C)O[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043039898 168303970 /nfs/dbraw/zinc/30/39/70/168303970.db2.gz CAFZDJSVIBMFCP-JSGCOSHPSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@H]([NH3+])[C@H](OC(C)(C)CC)c1ccccc1C ZINC000043039901 171488308 /nfs/dbraw/zinc/48/83/08/171488308.db2.gz IOJPSCWAAVYQLJ-LSDHHAIUSA-N 1 0 249.398 3.979 10 0 BHAERO CCCCCCO[C@H](C[NH3+])c1ccccc1C ZINC000043039915 168671571 /nfs/dbraw/zinc/67/15/71/168671571.db2.gz RWAVSEZETCVSEX-OAHLLOKOSA-N 1 0 235.371 3.592 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])O[C@@H]1CCC[C@H](C)C1 ZINC000043039970 179342568 /nfs/dbraw/zinc/34/25/68/179342568.db2.gz XSYLEUQRNYZDQX-BJJXKVORSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])O[C@H]1CCC[C@H](C)C1 ZINC000043039975 179341718 /nfs/dbraw/zinc/34/17/18/179341718.db2.gz XSYLEUQRNYZDQX-NOLJZWGESA-N 1 0 247.382 3.590 10 0 BHAERO CCCCO[C@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043040191 168914813 /nfs/dbraw/zinc/91/48/13/168914813.db2.gz SSWNMQRSHASBKP-HUUCEWRRSA-N 1 0 235.371 3.590 10 0 BHAERO CCCCO[C@@H](c1ccccc1C)[C@@H]([NH3+])CC ZINC000043040194 168911159 /nfs/dbraw/zinc/91/11/59/168911159.db2.gz SSWNMQRSHASBKP-GJZGRUSLSA-N 1 0 235.371 3.590 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1ccccc1C ZINC000043040330 171355274 /nfs/dbraw/zinc/35/52/74/171355274.db2.gz QPFNOGDAQVZZKY-CFVMTHIKSA-N 1 0 235.371 3.589 10 0 BHAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccccc1C ZINC000043040336 171356189 /nfs/dbraw/zinc/35/61/89/171356189.db2.gz QPFNOGDAQVZZKY-NWANDNLSSA-N 1 0 235.371 3.589 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])OC1CCCCCC1 ZINC000043040398 179342384 /nfs/dbraw/zinc/34/23/84/179342384.db2.gz JCIOJBJRXIZPJW-INIZCTEOSA-N 1 0 247.382 3.734 10 0 BHAERO Cc1ccccc1[C@@H](C[NH3+])Sc1ccccc1 ZINC000043040626 188122072 /nfs/dbraw/zinc/12/20/72/188122072.db2.gz SCRBVQGFDBITDP-OAHLLOKOSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccccc1 ZINC000043040629 179342197 /nfs/dbraw/zinc/34/21/97/179342197.db2.gz SCRBVQGFDBITDP-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1ccccc1[C@@H](C[NH3+])SCc1ccco1 ZINC000043041349 187267008 /nfs/dbraw/zinc/26/70/08/187267008.db2.gz PTSJFVCCQVOTPH-CQSZACIVSA-N 1 0 247.363 3.521 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])SCc1ccco1 ZINC000043041351 179342364 /nfs/dbraw/zinc/34/23/64/179342364.db2.gz PTSJFVCCQVOTPH-AWEZNQCLSA-N 1 0 247.363 3.521 10 0 BHAERO [NH3+]C[C@@H](Sc1ccccc1)c1ccccc1F ZINC000043049003 181424473 /nfs/dbraw/zinc/42/44/73/181424473.db2.gz YZBIXCXBHAMPSZ-CQSZACIVSA-N 1 0 247.338 3.618 10 0 BHAERO C[C@H]([NH3+])[C@H](OC(C)(C)C)c1ccccc1Cl ZINC000043088151 176771095 /nfs/dbraw/zinc/77/10/95/176771095.db2.gz GKCFMRRACUWZSL-CABZTGNLSA-N 1 0 241.762 3.543 10 0 BHAERO C[C@@H]([NH3+])[C@@H](OC(C)(C)C)c1ccccc1Cl ZINC000043088160 175809728 /nfs/dbraw/zinc/80/97/28/175809728.db2.gz GKCFMRRACUWZSL-BXKDBHETSA-N 1 0 241.762 3.543 10 0 BHAERO c1ccc(-c2ccccc2C2CC[NH2+]CC2)cc1 ZINC000043105358 358367463 /nfs/dbraw/zinc/36/74/63/358367463.db2.gz MWDIOCZAIPIVSB-UHFFFAOYSA-N 1 0 237.346 3.821 10 0 BHAERO c1ccc(-c2cccc(C3CC[NH2+]CC3)c2)cc1 ZINC000043105364 358367672 /nfs/dbraw/zinc/36/76/72/358367672.db2.gz RBKRGXAUXWDNPK-UHFFFAOYSA-N 1 0 237.346 3.821 10 0 BHAERO Cc1cccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c1 ZINC000043108411 179175180 /nfs/dbraw/zinc/17/51/80/179175180.db2.gz GVYGEWCSSOINHC-BXUZGUMPSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1cccc(O[C@H](c2cccs2)[C@@H](C)[NH3+])c1 ZINC000043108415 179175035 /nfs/dbraw/zinc/17/50/35/179175035.db2.gz GVYGEWCSSOINHC-RISCZKNCSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1cccc(O[C@@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043108419 179174494 /nfs/dbraw/zinc/17/44/94/179174494.db2.gz GVYGEWCSSOINHC-SMDDNHRTSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1cccc(O[C@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043108423 179174506 /nfs/dbraw/zinc/17/45/06/179174506.db2.gz GVYGEWCSSOINHC-FZMZJTMJSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccccc1O[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043108440 179313011 /nfs/dbraw/zinc/31/30/11/179313011.db2.gz RTYOHJIHPGVJFL-BXUZGUMPSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccccc1O[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043108444 179314506 /nfs/dbraw/zinc/31/45/06/179314506.db2.gz RTYOHJIHPGVJFL-RISCZKNCSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccccc1O[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043108448 179313101 /nfs/dbraw/zinc/31/31/01/179313101.db2.gz RTYOHJIHPGVJFL-SMDDNHRTSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccccc1O[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043108452 179313579 /nfs/dbraw/zinc/31/35/79/179313579.db2.gz RTYOHJIHPGVJFL-FZMZJTMJSA-N 1 0 247.363 3.524 10 0 BHAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1)c1cccs1 ZINC000043108519 170868851 /nfs/dbraw/zinc/86/88/51/170868851.db2.gz DFXLZPFBOBBECL-OCCSQVGLSA-N 1 0 247.363 3.606 10 0 BHAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1)c1cccs1 ZINC000043108522 171486932 /nfs/dbraw/zinc/48/69/32/171486932.db2.gz DFXLZPFBOBBECL-GXTWGEPZSA-N 1 0 247.363 3.606 10 0 BHAERO Cc1ccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043109072 178817353 /nfs/dbraw/zinc/81/73/53/178817353.db2.gz XZOYMKUVYXFRNP-BXUZGUMPSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccc(O[C@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043109076 178819096 /nfs/dbraw/zinc/81/90/96/178819096.db2.gz XZOYMKUVYXFRNP-RISCZKNCSA-N 1 0 247.363 3.524 10 0 BHAERO Cc1ccc(O[C@@H](c2cccs2)[C@H](C)[NH3+])cc1 ZINC000043109080 178817258 /nfs/dbraw/zinc/81/72/58/178817258.db2.gz XZOYMKUVYXFRNP-SMDDNHRTSA-N 1 0 247.363 3.524 10 0 BHAERO C[C@H](O[C@@H](C[NH3+])c1cccs1)c1ccccc1 ZINC000043109989 177021947 /nfs/dbraw/zinc/02/19/47/177021947.db2.gz IIRQKQFEZXFEPD-AAEUAGOBSA-N 1 0 247.363 3.526 10 0 BHAERO C[C@@H](O[C@@H](C[NH3+])c1cccs1)c1ccccc1 ZINC000043109993 176003107 /nfs/dbraw/zinc/00/31/07/176003107.db2.gz IIRQKQFEZXFEPD-YPMHNXCESA-N 1 0 247.363 3.526 10 0 BHAERO C[C@H](O[C@H](C[NH3+])c1cccs1)c1ccccc1 ZINC000043109997 177021769 /nfs/dbraw/zinc/02/17/69/177021769.db2.gz IIRQKQFEZXFEPD-WCQYABFASA-N 1 0 247.363 3.526 10 0 BHAERO C[C@@H](O[C@H](C[NH3+])c1cccs1)c1ccccc1 ZINC000043110001 176003949 /nfs/dbraw/zinc/00/39/49/176003949.db2.gz IIRQKQFEZXFEPD-DGCLKSJQSA-N 1 0 247.363 3.526 10 0 BHAERO [NH3+]C[C@H](Sc1cccs1)c1cccs1 ZINC000043113723 181452202 /nfs/dbraw/zinc/45/22/02/181452202.db2.gz AOLXEKVQHGEANK-VIFPVBQESA-N 1 0 241.406 3.602 10 0 BHAERO C[C@H]([NH3+])[C@H](OC(C)(C)C)c1ccc(Cl)s1 ZINC000043256135 176771459 /nfs/dbraw/zinc/77/14/59/176771459.db2.gz YYGWIFHMOLVYTG-XVKPBYJWSA-N 1 0 247.791 3.605 10 0 BHAERO C[C@@H]([NH3+])[C@H](OC(C)(C)C)c1ccc(Cl)s1 ZINC000043256137 175812950 /nfs/dbraw/zinc/81/29/50/175812950.db2.gz YYGWIFHMOLVYTG-XCBNKYQSSA-N 1 0 247.791 3.605 10 0 BHAERO CC(C)S[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043258136 167335064 /nfs/dbraw/zinc/33/50/64/167335064.db2.gz ITZLOFKBKNTAHZ-QMMMGPOBSA-N 1 0 235.805 3.543 10 0 BHAERO CC(C)S[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043258139 167336337 /nfs/dbraw/zinc/33/63/37/167336337.db2.gz ITZLOFKBKNTAHZ-MRVPVSSYSA-N 1 0 235.805 3.543 10 0 BHAERO Cc1cc(C)cc([C@H]([NH3+])CCC(C)C)c1 ZINC000043374358 343059691 /nfs/dbraw/zinc/05/96/91/343059691.db2.gz YZHIAICCPWOKEH-CQSZACIVSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1cc(C)cc([C@@H]([NH3+])CCC(C)C)c1 ZINC000043374360 343059558 /nfs/dbraw/zinc/05/95/58/343059558.db2.gz YZHIAICCPWOKEH-AWEZNQCLSA-N 1 0 205.345 3.739 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388688 167381841 /nfs/dbraw/zinc/38/18/41/167381841.db2.gz ZHOSOEHDNSZEQZ-SECBINFHSA-N 1 0 229.726 3.613 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388690 187267590 /nfs/dbraw/zinc/26/75/90/187267590.db2.gz ZHOSOEHDNSZEQZ-VIFPVBQESA-N 1 0 229.726 3.613 10 0 BHAERO CCC[NH2+][C@@H](CCC)CCc1ccccc1OC ZINC000043457443 169278477 /nfs/dbraw/zinc/27/84/77/169278477.db2.gz RXLMGLIDOWHADA-HNNXBMFYSA-N 1 0 249.398 3.796 10 0 BHAERO CCC[NH2+][C@H](CCC)CCc1ccccc1OC ZINC000043457444 169289240 /nfs/dbraw/zinc/28/92/40/169289240.db2.gz RXLMGLIDOWHADA-OAHLLOKOSA-N 1 0 249.398 3.796 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2cc(F)ccc2F)c1 ZINC000043459630 358376250 /nfs/dbraw/zinc/37/62/50/358376250.db2.gz KXBRPYVSRCYAJY-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2cc(F)ccc2F)c1 ZINC000043459631 358376044 /nfs/dbraw/zinc/37/60/44/358376044.db2.gz KXBRPYVSRCYAJY-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO CCC[C@@H]([NH3+])CCc1ccc(C(F)(F)F)cc1 ZINC000043512123 169392672 /nfs/dbraw/zinc/39/26/72/169392672.db2.gz DPLUNVWUBTVVPN-GFCCVEGCSA-N 1 0 245.288 3.765 10 0 BHAERO CC(C)c1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000043568646 167606946 /nfs/dbraw/zinc/60/69/46/167606946.db2.gz CEOASOWOHZDRNM-UHFFFAOYSA-N 1 0 227.311 3.531 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccccc2Cl)c(C)o1 ZINC000043611250 178262282 /nfs/dbraw/zinc/26/22/82/178262282.db2.gz LCNFSIYJOOJZIO-CYBMUJFWSA-N 1 0 235.714 3.598 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccccc2Cl)c(C)o1 ZINC000043611251 178237493 /nfs/dbraw/zinc/23/74/93/178237493.db2.gz LCNFSIYJOOJZIO-ZDUSSCGKSA-N 1 0 235.714 3.598 10 0 BHAERO Cc1cc([C@H]([NH3+])c2cccc(Cl)c2)c(C)o1 ZINC000043611258 178262796 /nfs/dbraw/zinc/26/27/96/178262796.db2.gz BWEIXUNEQLGQTK-CYBMUJFWSA-N 1 0 235.714 3.598 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2cccc(Cl)c2)c(C)o1 ZINC000043611259 178237260 /nfs/dbraw/zinc/23/72/60/178237260.db2.gz BWEIXUNEQLGQTK-ZDUSSCGKSA-N 1 0 235.714 3.598 10 0 BHAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)S[C@@H]1C ZINC000043635837 343633328 /nfs/dbraw/zinc/63/33/28/343633328.db2.gz JBGVNGPUBFYVDD-ANLVUFKYSA-N 1 0 248.178 3.748 10 0 BHAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)S[C@H]1C ZINC000043635839 343633100 /nfs/dbraw/zinc/63/31/00/343633100.db2.gz JBGVNGPUBFYVDD-CDUCUWFYSA-N 1 0 248.178 3.748 10 0 BHAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)S[C@@H]1C ZINC000043635841 343479403 /nfs/dbraw/zinc/47/94/03/343479403.db2.gz JBGVNGPUBFYVDD-MLUIRONXSA-N 1 0 248.178 3.748 10 0 BHAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)S[C@H]1C ZINC000043635843 343633254 /nfs/dbraw/zinc/63/32/54/343633254.db2.gz JBGVNGPUBFYVDD-SSDLBLMSSA-N 1 0 248.178 3.748 10 0 BHAERO CCCCCC[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000043647848 168676669 /nfs/dbraw/zinc/67/66/69/168676669.db2.gz IQDXOEIHETYIAT-HIFRSBDPSA-N 1 0 217.356 3.829 10 0 BHAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccc(F)c1 ZINC000043650877 173431852 /nfs/dbraw/zinc/43/18/52/173431852.db2.gz HNDKTNSUXFUMGS-UKRRQHHQSA-N 1 0 235.346 3.537 10 0 BHAERO C[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(F)c1 ZINC000043650881 173431926 /nfs/dbraw/zinc/43/19/26/173431926.db2.gz HNDKTNSUXFUMGS-DZGCQCFKSA-N 1 0 235.346 3.537 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1cccc(F)c1 ZINC000043653270 170154004 /nfs/dbraw/zinc/15/40/04/170154004.db2.gz UMAVXNUEFZGFSZ-JGGQBBKZSA-N 1 0 249.373 3.783 10 0 BHAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Cc1cccc(F)c1 ZINC000043653272 170168619 /nfs/dbraw/zinc/16/86/19/170168619.db2.gz UMAVXNUEFZGFSZ-BJJXKVORSA-N 1 0 249.373 3.783 10 0 BHAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1Cc1cccc(F)c1 ZINC000043653273 170153046 /nfs/dbraw/zinc/15/30/46/170153046.db2.gz UMAVXNUEFZGFSZ-XNRPHZJLSA-N 1 0 249.373 3.783 10 0 BHAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1Cc1cccc(F)c1 ZINC000043653275 170169086 /nfs/dbraw/zinc/16/90/86/170169086.db2.gz UMAVXNUEFZGFSZ-XPKDYRNWSA-N 1 0 249.373 3.783 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](Cc2ccccc2)C1 ZINC000043654632 171056218 /nfs/dbraw/zinc/05/62/18/171056218.db2.gz DPOMJKRHOJZYQU-KBMXLJTQSA-N 1 0 231.383 3.643 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](Cc2ccccc2)C1 ZINC000043654636 171039773 /nfs/dbraw/zinc/03/97/73/171039773.db2.gz DPOMJKRHOJZYQU-VNQPRFMTSA-N 1 0 231.383 3.643 10 0 BHAERO CCC[NH2+][C@@H](C)COc1ccccc1C(C)(C)C ZINC000044048367 169275425 /nfs/dbraw/zinc/27/54/25/169275425.db2.gz KZORWBKHVZYQQA-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+][C@H](C)COc1ccccc1C(C)(C)C ZINC000044048370 169286369 /nfs/dbraw/zinc/28/63/69/169286369.db2.gz KZORWBKHVZYQQA-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+][C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000044052304 169274505 /nfs/dbraw/zinc/27/45/05/169274505.db2.gz IVZFJDHUZLXHGW-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+][C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000044052306 169285899 /nfs/dbraw/zinc/28/58/99/169285899.db2.gz IVZFJDHUZLXHGW-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1OCCCC(C)C ZINC000044096258 169282072 /nfs/dbraw/zinc/28/20/72/169282072.db2.gz STCCRUUZLKMKDW-CABCVRRESA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@H]1CCCC[C@@H]1OCCCC(C)C ZINC000044096261 169290962 /nfs/dbraw/zinc/29/09/62/169290962.db2.gz STCCRUUZLKMKDW-GJZGRUSLSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@@H]1CCCC[C@H]1OCCCC(C)C ZINC000044096264 169282475 /nfs/dbraw/zinc/28/24/75/169282475.db2.gz STCCRUUZLKMKDW-HUUCEWRRSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@H]1CCCC[C@H]1OCCCC(C)C ZINC000044096267 169291182 /nfs/dbraw/zinc/29/11/82/169291182.db2.gz STCCRUUZLKMKDW-LSDHHAIUSA-N 1 0 241.419 3.750 10 0 BHAERO CCCCCCO[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000044098616 168671818 /nfs/dbraw/zinc/67/18/18/168671818.db2.gz ATLOUGGTJFDLNV-GJZGRUSLSA-N 1 0 241.419 3.894 10 0 BHAERO CCCCCCO[C@H]1CCCCC[C@H]1[NH2+]CC ZINC000044098622 168671829 /nfs/dbraw/zinc/67/18/29/168671829.db2.gz ATLOUGGTJFDLNV-CABCVRRESA-N 1 0 241.419 3.894 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1O[C@@H]1CCC[C@H](C)C1 ZINC000044099541 170150388 /nfs/dbraw/zinc/15/03/88/170150388.db2.gz DGBZSLSKDYYAHU-YJNKXOJESA-N 1 0 239.403 3.502 10 0 BHAERO CCC[NH2+][C@@H](C)COc1cc(C(C)C)ccc1C ZINC000044108634 169275436 /nfs/dbraw/zinc/27/54/36/169275436.db2.gz LZGFAARMJLHQHV-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO [NH3+]CC1(c2ccccc2Cl)CCCCC1 ZINC000044269627 181362550 /nfs/dbraw/zinc/36/25/50/181362550.db2.gz SPZZSFGDQFNRGE-UHFFFAOYSA-N 1 0 223.747 3.501 10 0 BHAERO CCCCCCOc1ccc(CCC[NH3+])cc1 ZINC000044279539 343497219 /nfs/dbraw/zinc/49/72/19/343497219.db2.gz XKNBAXAQVAVLPZ-UHFFFAOYSA-N 1 0 235.371 3.537 10 0 BHAERO CC1(C)CCC(C)(C)c2cc(CC[NH3+])ccc21 ZINC000044372582 358407893 /nfs/dbraw/zinc/40/78/93/358407893.db2.gz NDADUHAJHQIOBL-UHFFFAOYSA-N 1 0 231.383 3.537 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000044375179 345042705 /nfs/dbraw/zinc/04/27/05/345042705.db2.gz YMYOOXDHZYKUJE-JTQLQIEISA-N 1 0 218.127 3.793 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000044375185 345042699 /nfs/dbraw/zinc/04/26/99/345042699.db2.gz YMYOOXDHZYKUJE-SNVBAGLBSA-N 1 0 218.127 3.793 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cc(C)oc1C)C(C)C ZINC000044386380 171538048 /nfs/dbraw/zinc/53/80/48/171538048.db2.gz VVAVYAGRFNHYPX-FZMZJTMJSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cc(C)oc1C)C(C)C ZINC000044386383 358548758 /nfs/dbraw/zinc/54/87/58/358548758.db2.gz VVAVYAGRFNHYPX-SMDDNHRTSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cc(C)oc1C)C(C)C ZINC000044386386 358549033 /nfs/dbraw/zinc/54/90/33/358549033.db2.gz VVAVYAGRFNHYPX-RISCZKNCSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cc(C)oc1C)C(C)C ZINC000044386388 358549093 /nfs/dbraw/zinc/54/90/93/358549093.db2.gz VVAVYAGRFNHYPX-BXUZGUMPSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@@H]([NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC000044399571 170865958 /nfs/dbraw/zinc/86/59/58/170865958.db2.gz VYULYKYSKVSIJU-CQSZACIVSA-N 1 0 241.334 3.759 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044423075 384659929 /nfs/dbraw/zinc/65/99/29/384659929.db2.gz YWJYKYUDYJEEQK-DMRZNYOFSA-N 1 0 229.367 3.711 10 0 BHAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)cc1 ZINC000044460927 178324570 /nfs/dbraw/zinc/32/45/70/178324570.db2.gz VZJKMDPYHGXABN-CYBMUJFWSA-N 1 0 225.335 3.552 10 0 BHAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)cc1 ZINC000044460928 178324122 /nfs/dbraw/zinc/32/41/22/178324122.db2.gz VZJKMDPYHGXABN-ZDUSSCGKSA-N 1 0 225.335 3.552 10 0 BHAERO Cc1cccc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000044461079 178993816 /nfs/dbraw/zinc/99/38/16/178993816.db2.gz WVUXGHAXFZXCKO-CYBMUJFWSA-N 1 0 225.335 3.552 10 0 BHAERO Cc1cccc(-c2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000044461080 178993809 /nfs/dbraw/zinc/99/38/09/178993809.db2.gz WVUXGHAXFZXCKO-ZDUSSCGKSA-N 1 0 225.335 3.552 10 0 BHAERO C[C@H]([NH3+])Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000044461891 176761713 /nfs/dbraw/zinc/76/17/13/176761713.db2.gz VQAUDLBQWVYASO-NSHDSACASA-N 1 0 245.753 3.897 10 0 BHAERO C[C@H]([NH3+])Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000044463485 176761911 /nfs/dbraw/zinc/76/19/11/176761911.db2.gz NOQMGJLVRZHAHU-NSHDSACASA-N 1 0 245.297 3.508 10 0 BHAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1CCC(C)C ZINC000044467710 170155304 /nfs/dbraw/zinc/15/53/04/170155304.db2.gz HPYXBQSGHIPICY-HOCLYGCPSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1CCC(C)C ZINC000044467713 170169425 /nfs/dbraw/zinc/16/94/25/170169425.db2.gz HPYXBQSGHIPICY-GOEBONIOSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1CCC(C)C ZINC000044467716 170155012 /nfs/dbraw/zinc/15/50/12/170155012.db2.gz HPYXBQSGHIPICY-ZBFHGGJFSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1CCC(C)C ZINC000044467719 170169490 /nfs/dbraw/zinc/16/94/90/170169490.db2.gz HPYXBQSGHIPICY-GDBMZVCRSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CC(C)C ZINC000044467961 170155496 /nfs/dbraw/zinc/15/54/96/170155496.db2.gz LAICXGVNRXCDFF-ZBFHGGJFSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CC(C)C ZINC000044467964 170169518 /nfs/dbraw/zinc/16/95/18/170169518.db2.gz LAICXGVNRXCDFF-GDBMZVCRSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CC(C)C ZINC000044467967 170155183 /nfs/dbraw/zinc/15/51/83/170155183.db2.gz LAICXGVNRXCDFF-HOCLYGCPSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1CC(C)C ZINC000044467970 170170053 /nfs/dbraw/zinc/17/00/53/170170053.db2.gz LAICXGVNRXCDFF-GOEBONIOSA-N 1 0 231.383 3.946 10 0 BHAERO C[NH2+][C@H]1CCCCC[C@@H]1CCOc1ccccc1 ZINC000044468273 173460069 /nfs/dbraw/zinc/46/00/69/173460069.db2.gz GASXPAXACYJYPF-ZBFHGGJFSA-N 1 0 247.382 3.624 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccc(F)c1 ZINC000044468363 170150416 /nfs/dbraw/zinc/15/04/16/170150416.db2.gz MHWWSGRJGSWKSD-GDBMZVCRSA-N 1 0 249.373 3.927 10 0 BHAERO CC[NH2+][C@H]1CCCCC[C@@H]1Cc1cccc(F)c1 ZINC000044468366 170166090 /nfs/dbraw/zinc/16/60/90/170166090.db2.gz MHWWSGRJGSWKSD-ZBFHGGJFSA-N 1 0 249.373 3.927 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(F)c1 ZINC000044468370 170150923 /nfs/dbraw/zinc/15/09/23/170150923.db2.gz MHWWSGRJGSWKSD-GOEBONIOSA-N 1 0 249.373 3.927 10 0 BHAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cccc(F)c1 ZINC000044468371 170166240 /nfs/dbraw/zinc/16/62/40/170166240.db2.gz MHWWSGRJGSWKSD-HOCLYGCPSA-N 1 0 249.373 3.927 10 0 BHAERO CCC[NH2+][C@@H](C)COc1ccccc1[C@@H](C)CC ZINC000044473072 169275333 /nfs/dbraw/zinc/27/53/33/169275333.db2.gz ZQGQGQUFDGUPNJ-KBPBESRZSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+][C@H](C)COc1ccccc1[C@@H](C)CC ZINC000044473075 169285935 /nfs/dbraw/zinc/28/59/35/169285935.db2.gz ZQGQGQUFDGUPNJ-UONOGXRCSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+][C@@H](C)COc1ccccc1[C@H](C)CC ZINC000044473078 169274304 /nfs/dbraw/zinc/27/43/04/169274304.db2.gz ZQGQGQUFDGUPNJ-KGLIPLIRSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+][C@H](C)COc1ccccc1[C@H](C)CC ZINC000044473081 169286262 /nfs/dbraw/zinc/28/62/62/169286262.db2.gz ZQGQGQUFDGUPNJ-ZIAGYGMSSA-N 1 0 249.398 3.967 10 0 BHAERO CC[NH2+][C@H](C)COc1ccccc1[C@H](C)CC ZINC000044473084 170157497 /nfs/dbraw/zinc/15/74/97/170157497.db2.gz YYXVXHVEBBXEDL-CHWSQXEVSA-N 1 0 235.371 3.577 10 0 BHAERO CC[NH2+][C@H](C)COc1ccccc1[C@@H](C)CC ZINC000044473087 170157662 /nfs/dbraw/zinc/15/76/62/170157662.db2.gz YYXVXHVEBBXEDL-QWHCGFSZSA-N 1 0 235.371 3.577 10 0 BHAERO CC[NH2+][C@@H](C)COc1ccccc1[C@H](C)CC ZINC000044473090 170140014 /nfs/dbraw/zinc/14/00/14/170140014.db2.gz YYXVXHVEBBXEDL-OLZOCXBDSA-N 1 0 235.371 3.577 10 0 BHAERO CC[NH2+][C@@H](C)COc1ccccc1[C@@H](C)CC ZINC000044473093 170140033 /nfs/dbraw/zinc/14/00/33/170140033.db2.gz YYXVXHVEBBXEDL-STQMWFEESA-N 1 0 235.371 3.577 10 0 BHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC1 ZINC000044480745 384652155 /nfs/dbraw/zinc/65/21/55/384652155.db2.gz PJGANPKGOAODCU-OLZOCXBDSA-N 1 0 209.377 3.733 10 0 BHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC1 ZINC000044480747 384652635 /nfs/dbraw/zinc/65/26/35/384652635.db2.gz PJGANPKGOAODCU-STQMWFEESA-N 1 0 209.377 3.733 10 0 BHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC1 ZINC000044480749 384652550 /nfs/dbraw/zinc/65/25/50/384652550.db2.gz PJGANPKGOAODCU-CHWSQXEVSA-N 1 0 209.377 3.733 10 0 BHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CCC1 ZINC000044480751 322840965 /nfs/dbraw/zinc/84/09/65/322840965.db2.gz PJGANPKGOAODCU-QWHCGFSZSA-N 1 0 209.377 3.733 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCC1 ZINC000044481212 322840869 /nfs/dbraw/zinc/84/08/69/322840869.db2.gz IDGFIPQZFOLJFR-KWCYVHTRSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044673929 384659500 /nfs/dbraw/zinc/65/95/00/384659500.db2.gz YUWUCHIOTUXYHC-XKQJLSEDSA-N 1 0 237.346 3.893 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044673932 323826253 /nfs/dbraw/zinc/82/62/53/323826253.db2.gz YUWUCHIOTUXYHC-XYPHTWIQSA-N 1 0 237.346 3.893 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1cccs1 ZINC000044674046 487597952 /nfs/dbraw/zinc/59/79/52/487597952.db2.gz LMVLRYMUSFGDOL-IACUBPJLSA-N 1 0 243.375 3.955 10 0 BHAERO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1cccs1 ZINC000044674048 487597954 /nfs/dbraw/zinc/59/79/54/487597954.db2.gz LMVLRYMUSFGDOL-MRVWCRGKSA-N 1 0 243.375 3.955 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000044674150 487597723 /nfs/dbraw/zinc/59/77/23/487597723.db2.gz LPMIJVIGCCENOJ-BPLDGKMQSA-N 1 0 241.334 3.795 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000044674152 387689203 /nfs/dbraw/zinc/68/92/03/387689203.db2.gz LPMIJVIGCCENOJ-NWANDNLSSA-N 1 0 241.334 3.795 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)o1 ZINC000044674156 387689652 /nfs/dbraw/zinc/68/96/52/387689652.db2.gz LPMIJVIGCCENOJ-CFVMTHIKSA-N 1 0 241.334 3.795 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000044980521 179324621 /nfs/dbraw/zinc/32/46/21/179324621.db2.gz FOGSJWPUWBXGDC-LNSITVRQSA-N 1 0 217.356 3.821 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000044980527 179324042 /nfs/dbraw/zinc/32/40/42/179324042.db2.gz FOGSJWPUWBXGDC-WHOFXGATSA-N 1 0 217.356 3.821 10 0 BHAERO CC1CCC([C@H]([NH3+])Cc2cccc(F)c2)CC1 ZINC000044983611 188296511 /nfs/dbraw/zinc/29/65/11/188296511.db2.gz JSLVUFGVRDEZFB-ABIUDSBCSA-N 1 0 235.346 3.522 10 0 BHAERO CC1CCC([C@@H]([NH3+])Cc2cccc(F)c2)CC1 ZINC000044983613 187607012 /nfs/dbraw/zinc/60/70/12/187607012.db2.gz JSLVUFGVRDEZFB-HGMXIMQMSA-N 1 0 235.346 3.522 10 0 BHAERO CC1([NH2+]CCc2ccccc2)CCCCC1 ZINC000045042335 640497787 /nfs/dbraw/zinc/49/77/87/640497787.db2.gz NTOYARZZNIOZOT-UHFFFAOYSA-N 1 0 217.356 3.542 10 0 BHAERO COc1ccc([C@H]([NH2+][C@@H]2CC2(C)C)C2CC2)cc1 ZINC000045117421 322843580 /nfs/dbraw/zinc/84/35/80/322843580.db2.gz TWBGTZUYBXLKKZ-HUUCEWRRSA-N 1 0 245.366 3.534 10 0 BHAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCCCC2)c1C ZINC000045166900 172248914 /nfs/dbraw/zinc/24/89/14/172248914.db2.gz DOFCMDXAIIOJTD-LLVKDONJSA-N 1 0 249.402 3.503 10 0 BHAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCCCC2)c1C ZINC000045166902 172248789 /nfs/dbraw/zinc/24/87/89/172248789.db2.gz DOFCMDXAIIOJTD-NSHDSACASA-N 1 0 249.402 3.503 10 0 BHAERO Cc1nc([C@@H](C)[NH2+]C(C)C)sc1C(C)(C)C ZINC000045205556 180036443 /nfs/dbraw/zinc/03/64/43/180036443.db2.gz QKBBOIHHYDRTNE-SNVBAGLBSA-N 1 0 240.416 3.808 10 0 BHAERO Cc1nc([C@H](C)[NH2+]C(C)C)sc1C(C)(C)C ZINC000045205557 180049083 /nfs/dbraw/zinc/04/90/83/180049083.db2.gz QKBBOIHHYDRTNE-JTQLQIEISA-N 1 0 240.416 3.808 10 0 BHAERO Cc1nc([C@@H](C)[NH2+]C2CC2)sc1C(C)(C)C ZINC000045205558 180036094 /nfs/dbraw/zinc/03/60/94/180036094.db2.gz CMZOBXSUNZKMKE-SECBINFHSA-N 1 0 238.400 3.562 10 0 BHAERO Cc1nc([C@H](C)[NH2+]C2CC2)sc1C(C)(C)C ZINC000045205559 180048859 /nfs/dbraw/zinc/04/88/59/180048859.db2.gz CMZOBXSUNZKMKE-VIFPVBQESA-N 1 0 238.400 3.562 10 0 BHAERO CCC[NH2+]Cc1sc(-c2ccccc2)nc1C ZINC000045205691 169269192 /nfs/dbraw/zinc/26/91/92/169269192.db2.gz CPUMTALDSJMKHE-UHFFFAOYSA-N 1 0 246.379 3.618 10 0 BHAERO CC[NH2+]Cc1sc(-c2ccccc2C)nc1C ZINC000045205708 170132816 /nfs/dbraw/zinc/13/28/16/170132816.db2.gz RCLOVQVNMKJMRZ-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO CC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C ZINC000045205709 170132988 /nfs/dbraw/zinc/13/29/88/170132988.db2.gz LHTHLMIANCGCLH-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C ZINC000045205710 170132573 /nfs/dbraw/zinc/13/25/73/170132573.db2.gz XDEJCAUIPBMBNU-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO Cc1ccccc1-c1cnc(C[NH2+]C(C)C)s1 ZINC000045206068 179236371 /nfs/dbraw/zinc/23/63/71/179236371.db2.gz KMVAPQDEPZWNDB-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO Cc1ccc(-c2cnc(C[NH2+]C(C)C)s2)cc1 ZINC000045206070 178329552 /nfs/dbraw/zinc/32/95/52/178329552.db2.gz LKYWDCUUHGGFJZ-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO Cc1ccc(-c2csc(C[NH2+]C(C)C)n2)cc1 ZINC000045206522 178330153 /nfs/dbraw/zinc/33/01/53/178330153.db2.gz ZPIVCTLJMWIIAM-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO Cc1ccccc1-c1csc(C[NH2+]C(C)C)n1 ZINC000045206565 179236660 /nfs/dbraw/zinc/23/66/60/179236660.db2.gz WGSJQIVTYYVJLZ-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO C/C(c1cc(C)c(C)[nH]1)=C1/C=C(C)C(C)=[NH+]1 ZINC000045809090 168090083 /nfs/dbraw/zinc/09/00/83/168090083.db2.gz XGMVRVKYMFNFCF-GXDHUFHOSA-N 1 0 214.312 3.783 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000047850305 176144614 /nfs/dbraw/zinc/14/46/14/176144614.db2.gz QMHNDLSQKPCECH-OCCSQVGLSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000047850307 177137207 /nfs/dbraw/zinc/13/72/07/177137207.db2.gz QMHNDLSQKPCECH-JSGCOSHPSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000047850308 176123193 /nfs/dbraw/zinc/12/31/93/176123193.db2.gz QMHNDLSQKPCECH-TZMCWYRMSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000047850310 188298082 /nfs/dbraw/zinc/29/80/82/188298082.db2.gz QMHNDLSQKPCECH-GXTWGEPZSA-N 1 0 242.366 3.836 10 0 BHAERO CC(C)(C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000047864554 166635013 /nfs/dbraw/zinc/63/50/13/166635013.db2.gz OEZUUITUPVXTAI-UHFFFAOYSA-N 1 0 246.379 3.698 10 0 BHAERO CC(C)C[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000048068499 167002459 /nfs/dbraw/zinc/00/24/59/167002459.db2.gz XEJKPVMRSTUTPG-UHFFFAOYSA-N 1 0 249.373 3.883 10 0 BHAERO Cc1cccc(C[NH2+]C2CCC(C)CC2)c1C ZINC000048241997 179089874 /nfs/dbraw/zinc/08/98/74/179089874.db2.gz HQUPKRBIHAHALH-UHFFFAOYSA-N 1 0 231.383 3.972 10 0 BHAERO C[C@@H](CC(N)=[NH2+])Sc1ccc2ccccc2c1 ZINC000048257666 175639448 /nfs/dbraw/zinc/63/94/48/175639448.db2.gz DEQGHWQWFBTTOK-JTQLQIEISA-N 1 0 244.363 3.646 10 0 BHAERO C[C@H](CC(N)=[NH2+])Sc1ccc2ccccc2c1 ZINC000048257668 176598288 /nfs/dbraw/zinc/59/82/88/176598288.db2.gz DEQGHWQWFBTTOK-SNVBAGLBSA-N 1 0 244.363 3.646 10 0 BHAERO CC[C@H](C)OC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000048264275 171355304 /nfs/dbraw/zinc/35/53/04/171355304.db2.gz NRWMBVMCEJKZCP-LRDDRELGSA-N 1 0 243.350 3.655 10 0 BHAERO CC[C@H](C)OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000048264279 171355276 /nfs/dbraw/zinc/35/52/76/171355276.db2.gz NRWMBVMCEJKZCP-BLLLJJGKSA-N 1 0 243.350 3.655 10 0 BHAERO CC[C@H](C)OC[C@H]([NH3+])c1cccc2ccccc21 ZINC000048264291 171355617 /nfs/dbraw/zinc/35/56/17/171355617.db2.gz GMFUOAXFAQHWMY-LRDDRELGSA-N 1 0 243.350 3.655 10 0 BHAERO CC[C@H](C)OC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000048264295 171355438 /nfs/dbraw/zinc/35/54/38/171355438.db2.gz GMFUOAXFAQHWMY-BLLLJJGKSA-N 1 0 243.350 3.655 10 0 BHAERO CC[C@H](C)OC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000048264323 171355540 /nfs/dbraw/zinc/35/55/40/171355540.db2.gz XGDRGVVCLFJASV-WFASDCNBSA-N 1 0 249.398 3.799 10 0 BHAERO CC[C@H](C)OC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000048264327 171355004 /nfs/dbraw/zinc/35/50/04/171355004.db2.gz XGDRGVVCLFJASV-SWLSCSKDSA-N 1 0 249.398 3.799 10 0 BHAERO CC[C@H](C)OC[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000048264331 171355221 /nfs/dbraw/zinc/35/52/21/171355221.db2.gz VYRYUHCNXAGPGK-BBRMVZONSA-N 1 0 249.398 3.700 10 0 BHAERO CC[C@H](C)OC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000048264335 171355339 /nfs/dbraw/zinc/35/53/39/171355339.db2.gz VYRYUHCNXAGPGK-XJKSGUPXSA-N 1 0 249.398 3.700 10 0 BHAERO CC[C@H](C)OC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000048264370 171355280 /nfs/dbraw/zinc/35/52/80/171355280.db2.gz BRUKRGLYYWEKCF-WFASDCNBSA-N 1 0 235.371 3.625 10 0 BHAERO CC[C@H](C)OC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000048264374 171355467 /nfs/dbraw/zinc/35/54/67/171355467.db2.gz BRUKRGLYYWEKCF-SWLSCSKDSA-N 1 0 235.371 3.625 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC)c(F)c1 ZINC000048264969 170159404 /nfs/dbraw/zinc/15/94/04/170159404.db2.gz SZQIJZQWFDACRD-GHMZBOCLSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)c(F)c1 ZINC000048264971 170159407 /nfs/dbraw/zinc/15/94/07/170159407.db2.gz SZQIJZQWFDACRD-WDEREUQCSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)c(F)c1 ZINC000048264973 170141872 /nfs/dbraw/zinc/14/18/72/170141872.db2.gz SZQIJZQWFDACRD-MNOVXSKESA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)c(F)c1 ZINC000048264974 170141931 /nfs/dbraw/zinc/14/19/31/170141931.db2.gz SZQIJZQWFDACRD-QWRGUYRKSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)CC ZINC000048264991 170159467 /nfs/dbraw/zinc/15/94/67/170159467.db2.gz PHTFMNAGWSDVNS-GHMZBOCLSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@@H](C)CC ZINC000048264993 170159079 /nfs/dbraw/zinc/15/90/79/170159079.db2.gz PHTFMNAGWSDVNS-WDEREUQCSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1O[C@H](C)CC ZINC000048264995 170140872 /nfs/dbraw/zinc/14/08/72/170140872.db2.gz PHTFMNAGWSDVNS-MNOVXSKESA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1O[C@@H](C)CC ZINC000048264997 170140673 /nfs/dbraw/zinc/14/06/73/170140673.db2.gz PHTFMNAGWSDVNS-QWRGUYRKSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1c(F)cccc1O[C@H](C)CC ZINC000048265015 170159585 /nfs/dbraw/zinc/15/95/85/170159585.db2.gz BLILGLNQEZGTED-GHMZBOCLSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@H](C)c1c(F)cccc1O[C@@H](C)CC ZINC000048265017 170159348 /nfs/dbraw/zinc/15/93/48/170159348.db2.gz BLILGLNQEZGTED-WDEREUQCSA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1c(F)cccc1O[C@H](C)CC ZINC000048265019 170140730 /nfs/dbraw/zinc/14/07/30/170140730.db2.gz BLILGLNQEZGTED-MNOVXSKESA-N 1 0 239.334 3.674 10 0 BHAERO CC[NH2+][C@@H](C)c1c(F)cccc1O[C@@H](C)CC ZINC000048265021 170140713 /nfs/dbraw/zinc/14/07/13/170140713.db2.gz BLILGLNQEZGTED-QWRGUYRKSA-N 1 0 239.334 3.674 10 0 BHAERO Cc1cccc(C[NH2+][C@@H](C)c2ccncc2)c1C ZINC000048298510 179098168 /nfs/dbraw/zinc/09/81/68/179098168.db2.gz IKAKRJJBYSLQDU-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc(C[NH2+][C@H](C)c2ccncc2)c1C ZINC000048298513 179099904 /nfs/dbraw/zinc/09/99/04/179099904.db2.gz IKAKRJJBYSLQDU-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000048329776 179099746 /nfs/dbraw/zinc/09/97/46/179099746.db2.gz HNRQNAUQHDEOCQ-SWLSCSKDSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1cccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000048329778 188124605 /nfs/dbraw/zinc/12/46/05/188124605.db2.gz HNRQNAUQHDEOCQ-WFASDCNBSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000048329779 179100590 /nfs/dbraw/zinc/10/05/90/179100590.db2.gz HNRQNAUQHDEOCQ-IUODEOHRSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000048329781 342986394 /nfs/dbraw/zinc/98/63/94/342986394.db2.gz HNRQNAUQHDEOCQ-DOMZBBRYSA-N 1 0 246.398 3.694 10 0 BHAERO CC(C)CCC[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000048348466 166813893 /nfs/dbraw/zinc/81/38/93/166813893.db2.gz YWSGSLSMNGFHPW-HUUCEWRRSA-N 1 0 241.419 3.608 10 0 BHAERO CC(C)CCC[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000048348469 166812403 /nfs/dbraw/zinc/81/24/03/166812403.db2.gz YWSGSLSMNGFHPW-LSDHHAIUSA-N 1 0 241.419 3.608 10 0 BHAERO CCCCCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048408759 168668365 /nfs/dbraw/zinc/66/83/65/168668365.db2.gz RVDMQERKPKCZRO-UHFFFAOYSA-N 1 0 230.355 3.838 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000048435943 176080552 /nfs/dbraw/zinc/08/05/52/176080552.db2.gz KYWYVNQIFFHDFG-DOMZBBRYSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000048435946 177082522 /nfs/dbraw/zinc/08/25/22/177082522.db2.gz KYWYVNQIFFHDFG-WFASDCNBSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000048435948 176088851 /nfs/dbraw/zinc/08/88/51/176088851.db2.gz KYWYVNQIFFHDFG-IUODEOHRSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000048435951 177088808 /nfs/dbraw/zinc/08/88/08/177088808.db2.gz KYWYVNQIFFHDFG-SWLSCSKDSA-N 1 0 242.366 3.836 10 0 BHAERO CC1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000048436038 168163741 /nfs/dbraw/zinc/16/37/41/168163741.db2.gz UZOXDYVBDSHRHC-UHFFFAOYSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]([NH2+]Cc1ccc[nH]1)c1ccc(Cl)cc1 ZINC000048436921 176876847 /nfs/dbraw/zinc/87/68/47/176876847.db2.gz LDSDJZJORBNCRS-JTQLQIEISA-N 1 0 234.730 3.519 10 0 BHAERO Cc1cccc(C[NH2+][C@@H](C)c2ccco2)c1C ZINC000048463038 179097460 /nfs/dbraw/zinc/09/74/60/179097460.db2.gz BUUYDBJBRLNDNH-ZDUSSCGKSA-N 1 0 229.323 3.747 10 0 BHAERO Cc1cccc(C[NH2+][C@H](C)c2ccco2)c1C ZINC000048463039 179099203 /nfs/dbraw/zinc/09/92/03/179099203.db2.gz BUUYDBJBRLNDNH-CYBMUJFWSA-N 1 0 229.323 3.747 10 0 BHAERO CC(C)C[C@@H]([NH2+]Cc1ccc[nH]1)c1ccccc1 ZINC000048463046 188124393 /nfs/dbraw/zinc/12/43/93/188124393.db2.gz HMUZODRISMDJKO-MRXNPFEDSA-N 1 0 242.366 3.892 10 0 BHAERO CCC[NH2+]CC[C@@H](C)[C@H]1CC=C(C)CC1 ZINC000049068740 169260422 /nfs/dbraw/zinc/26/04/22/169260422.db2.gz OAHBAWSKCANQCZ-KGLIPLIRSA-N 1 0 209.377 3.759 10 0 BHAERO CCC[NH2+]CC[C@H](C)[C@H]1CC=C(C)CC1 ZINC000049068742 169260965 /nfs/dbraw/zinc/26/09/65/169260965.db2.gz OAHBAWSKCANQCZ-KBPBESRZSA-N 1 0 209.377 3.759 10 0 BHAERO CC1=CC[C@H]([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000049068744 168121625 /nfs/dbraw/zinc/12/16/25/168121625.db2.gz FFZVMFCEDBOYDW-KBPBESRZSA-N 1 0 209.377 3.757 10 0 BHAERO CC1=CC[C@H]([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000049068746 168121671 /nfs/dbraw/zinc/12/16/71/168121671.db2.gz FFZVMFCEDBOYDW-KGLIPLIRSA-N 1 0 209.377 3.757 10 0 BHAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049202435 168675155 /nfs/dbraw/zinc/67/51/55/168675155.db2.gz VCXVUZSCUONUOR-KFWWJZLASA-N 1 0 241.419 3.629 10 0 BHAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049202438 168679135 /nfs/dbraw/zinc/67/91/35/168679135.db2.gz VCXVUZSCUONUOR-ZNMIVQPWSA-N 1 0 241.419 3.629 10 0 BHAERO CCCCCC[C@@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049202442 168674369 /nfs/dbraw/zinc/67/43/69/168674369.db2.gz VCXVUZSCUONUOR-ILXRZTDVSA-N 1 0 241.419 3.629 10 0 BHAERO CC[C@H]([NH3+])c1ccc(OCCC(C)(C)C)cc1 ZINC000049240437 171491001 /nfs/dbraw/zinc/49/10/01/171491001.db2.gz WMEUGYVYHOXKPE-AWEZNQCLSA-N 1 0 235.371 3.911 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(OCCC(C)(C)C)cc1 ZINC000049240439 170869989 /nfs/dbraw/zinc/86/99/89/170869989.db2.gz WMEUGYVYHOXKPE-CQSZACIVSA-N 1 0 235.371 3.911 10 0 BHAERO C[C@H]([NH3+])CCc1ccc(OCCC(C)(C)C)cc1 ZINC000049240441 176759771 /nfs/dbraw/zinc/75/97/71/176759771.db2.gz IVNUDGHHILHVDC-ZDUSSCGKSA-N 1 0 249.398 3.781 10 0 BHAERO CC[C@H]([NH3+])c1ccccc1OCCC(C)(C)C ZINC000049240453 171491710 /nfs/dbraw/zinc/49/17/10/171491710.db2.gz CFFWYVLFZMVTIQ-ZDUSSCGKSA-N 1 0 235.371 3.911 10 0 BHAERO Cc1cc(C[NH3+])cc(C)c1OCCC(C)(C)C ZINC000049240459 177982185 /nfs/dbraw/zinc/98/21/85/177982185.db2.gz BVHCWZHCXGYBMK-UHFFFAOYSA-N 1 0 235.371 3.577 10 0 BHAERO C[NH2+]Cc1cc(C)c(OCCC(C)(C)C)c(C)c1 ZINC000049253903 173385922 /nfs/dbraw/zinc/38/59/22/173385922.db2.gz LGVJVSHTXSNAHU-UHFFFAOYSA-N 1 0 249.398 3.838 10 0 BHAERO CC[NH2+]Cc1ccc(OCCC(C)(C)C)cc1 ZINC000049253912 170127169 /nfs/dbraw/zinc/12/71/69/170127169.db2.gz WZJZYALBUQLMTG-UHFFFAOYSA-N 1 0 235.371 3.611 10 0 BHAERO CC(C)[NH2+]Cc1ccc(OCCC(C)(C)C)cc1 ZINC000049253920 167118234 /nfs/dbraw/zinc/11/82/34/167118234.db2.gz FVXDSHVNCGMZQL-UHFFFAOYSA-N 1 0 249.398 4.000 10 0 BHAERO CC[NH2+]Cc1ccccc1OCCC(C)(C)C ZINC000049253932 170129397 /nfs/dbraw/zinc/12/93/97/170129397.db2.gz IYAKSYNMANLNKK-UHFFFAOYSA-N 1 0 235.371 3.611 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1OCCC(C)(C)C ZINC000049253939 167121281 /nfs/dbraw/zinc/12/12/81/167121281.db2.gz XIAYGHWWSAWVAM-UHFFFAOYSA-N 1 0 249.398 4.000 10 0 BHAERO CC[NH2+]Cc1cccc(OCCC(C)(C)C)c1 ZINC000049253991 170128669 /nfs/dbraw/zinc/12/86/69/170128669.db2.gz FVJZDXOSKCJAEV-UHFFFAOYSA-N 1 0 235.371 3.611 10 0 BHAERO CC(C)[NH2+]Cc1cccc(OCCC(C)(C)C)c1 ZINC000049253998 167118155 /nfs/dbraw/zinc/11/81/55/167118155.db2.gz XXGNTHXVUXKVMM-UHFFFAOYSA-N 1 0 249.398 4.000 10 0 BHAERO C[NH2+][C@H](C)c1ccc(OCCC(C)(C)C)cc1 ZINC000049254067 173448992 /nfs/dbraw/zinc/44/89/92/173448992.db2.gz AKCUXNPTYBYCIM-GFCCVEGCSA-N 1 0 235.371 3.782 10 0 BHAERO C[NH2+][C@@H](C)c1ccccc1OCCC(C)(C)C ZINC000049254098 173420098 /nfs/dbraw/zinc/42/00/98/173420098.db2.gz LRYPPIBTOQWLFE-LBPRGKRZSA-N 1 0 235.371 3.782 10 0 BHAERO C[NH2+][C@H](C)c1cccc(OCCC(C)(C)C)c1 ZINC000049254125 173449395 /nfs/dbraw/zinc/44/93/95/173449395.db2.gz UGCXKSGNGRQAHZ-GFCCVEGCSA-N 1 0 235.371 3.782 10 0 BHAERO Cc1ccc(OCCC(C)(C)C)c([C@@H](C)[NH3+])c1 ZINC000049254208 178810524 /nfs/dbraw/zinc/81/05/24/178810524.db2.gz MDXXAFXXEPSVII-GFCCVEGCSA-N 1 0 235.371 3.830 10 0 BHAERO Cc1cccc(N(CCC[NH3+])CCC(C)(C)C)c1 ZINC000049254315 179119137 /nfs/dbraw/zinc/11/91/37/179119137.db2.gz ZDXINRAWDFOKOD-UHFFFAOYSA-N 1 0 248.414 3.586 10 0 BHAERO Cc1ccccc1N(CCC[NH3+])CCC(C)(C)C ZINC000049254318 179296671 /nfs/dbraw/zinc/29/66/71/179296671.db2.gz ORRLKBFMLNAOJZ-UHFFFAOYSA-N 1 0 248.414 3.586 10 0 BHAERO CCC[N@H+](CCC(C)(C)C)Cc1cccc(N)c1 ZINC000049254955 169139542 /nfs/dbraw/zinc/13/95/42/169139542.db2.gz LEQJQACEIBDTEK-UHFFFAOYSA-N 1 0 248.414 3.917 10 0 BHAERO CCC[N@H+](CCC(C)(C)C)Cc1ccccc1N ZINC000049254958 169139504 /nfs/dbraw/zinc/13/95/04/169139504.db2.gz GKHTTXZWQCYNAN-UHFFFAOYSA-N 1 0 248.414 3.917 10 0 BHAERO CC(C)[N@H+](CCC(C)(C)C)Cc1cccc(N)c1 ZINC000049254964 188124512 /nfs/dbraw/zinc/12/45/12/188124512.db2.gz LXUHKCXBZUABBX-UHFFFAOYSA-N 1 0 248.414 3.915 10 0 BHAERO CC(C)[N@H+](CCC(C)(C)C)Cc1ccccc1N ZINC000049254967 188124682 /nfs/dbraw/zinc/12/46/82/188124682.db2.gz DIWHZQCKANSMAK-UHFFFAOYSA-N 1 0 248.414 3.915 10 0 BHAERO CC[C@@H]([NH3+])Cc1ccc(OCCC(C)(C)C)cc1 ZINC000049256181 170866039 /nfs/dbraw/zinc/86/60/39/170866039.db2.gz QYWULDRUYMKESR-CQSZACIVSA-N 1 0 249.398 3.781 10 0 BHAERO CC[C@H]([NH3+])Cc1ccccc1OCCC(C)(C)C ZINC000049256187 171486162 /nfs/dbraw/zinc/48/61/62/171486162.db2.gz WRORRMOTPOXUNR-AWEZNQCLSA-N 1 0 249.398 3.781 10 0 BHAERO CC[C@H]([NH3+])Cc1cccc(OCCC(C)(C)C)c1 ZINC000049256209 171486411 /nfs/dbraw/zinc/48/64/11/171486411.db2.gz NCLIVEIVPLRWES-AWEZNQCLSA-N 1 0 249.398 3.781 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000049256799 384675990 /nfs/dbraw/zinc/67/59/90/384675990.db2.gz PIZYWKZCWNQHQI-HNNXBMFYSA-N 1 0 219.372 3.828 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000049256801 384676850 /nfs/dbraw/zinc/67/68/50/384676850.db2.gz PIZYWKZCWNQHQI-OAHLLOKOSA-N 1 0 219.372 3.828 10 0 BHAERO Cc1ccc(C)c(CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000049257094 188299313 /nfs/dbraw/zinc/29/93/13/188299313.db2.gz ZLHAEFKTFBKZEK-QGZVFWFLSA-N 1 0 239.362 3.936 10 0 BHAERO C[NH2+][C@@H](CCc1cc(C)ccc1C)C(C)(C)C ZINC000049257132 173422593 /nfs/dbraw/zinc/42/25/93/173422593.db2.gz QUOLASBCKZLNDY-HNNXBMFYSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](CCc1cc(C)ccc1C)C(C)C ZINC000049257151 170144766 /nfs/dbraw/zinc/14/47/66/170144766.db2.gz UUWGUELJRSHKDH-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](CCc1cc(C)ccc1C)C(C)C ZINC000049257153 170162284 /nfs/dbraw/zinc/16/22/84/170162284.db2.gz UUWGUELJRSHKDH-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cc(C)ccc1C ZINC000049257171 169276386 /nfs/dbraw/zinc/27/63/86/169276386.db2.gz DUIBLTZQKIHMDN-GJZGRUSLSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cc(C)ccc1C ZINC000049257173 169286209 /nfs/dbraw/zinc/28/62/09/169286209.db2.gz DUIBLTZQKIHMDN-LSDHHAIUSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cc(C)ccc1C ZINC000049257175 169276130 /nfs/dbraw/zinc/27/61/30/169276130.db2.gz DUIBLTZQKIHMDN-CABCVRRESA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cc(C)ccc1C ZINC000049257177 169285730 /nfs/dbraw/zinc/28/57/30/169285730.db2.gz DUIBLTZQKIHMDN-HUUCEWRRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cc(C)ccc1C ZINC000049257195 170158647 /nfs/dbraw/zinc/15/86/47/170158647.db2.gz KGYZCVATIORRSN-CABCVRRESA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cc(C)ccc1C ZINC000049257197 170158541 /nfs/dbraw/zinc/15/85/41/170158541.db2.gz KGYZCVATIORRSN-HUUCEWRRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(C)ccc1C ZINC000049257199 170139761 /nfs/dbraw/zinc/13/97/61/170139761.db2.gz KGYZCVATIORRSN-GJZGRUSLSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cc(C)ccc1C ZINC000049257201 170140944 /nfs/dbraw/zinc/14/09/44/170140944.db2.gz KGYZCVATIORRSN-LSDHHAIUSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257210 170150637 /nfs/dbraw/zinc/15/06/37/170150637.db2.gz RIBLJFLXVZIXRW-GDBMZVCRSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257212 170166846 /nfs/dbraw/zinc/16/68/46/170166846.db2.gz RIBLJFLXVZIXRW-ZBFHGGJFSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)ccc1C ZINC000049257214 170151628 /nfs/dbraw/zinc/15/16/28/170151628.db2.gz RIBLJFLXVZIXRW-GOEBONIOSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1cc(C)ccc1C ZINC000049257216 170166379 /nfs/dbraw/zinc/16/63/79/170166379.db2.gz RIBLJFLXVZIXRW-HOCLYGCPSA-N 1 0 231.383 3.624 10 0 BHAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1cc(C)ccc1C ZINC000049257229 173432872 /nfs/dbraw/zinc/43/28/72/173432872.db2.gz WTNNIFPEJDNIFF-GOEBONIOSA-N 1 0 231.383 3.624 10 0 BHAERO Cc1ccc(C)c(C[C@@]2([NH3+])CCC[C@@H](C)C2)c1 ZINC000049257539 178476772 /nfs/dbraw/zinc/47/67/72/178476772.db2.gz USAKLPAQBSZICA-CZUORRHYSA-N 1 0 231.383 3.754 10 0 BHAERO Cc1ccc(C)c(C[C@](C)([NH3+])c2ccccc2)c1 ZINC000049257561 178476733 /nfs/dbraw/zinc/47/67/33/178476733.db2.gz UKNOPWWPHOUDJP-KRWDZBQOSA-N 1 0 239.362 3.720 10 0 BHAERO Cc1ccc([C@H]([NH3+])Cc2cc(C)ccc2C)cc1 ZINC000049258041 178908934 /nfs/dbraw/zinc/90/89/34/178908934.db2.gz YVZVQEXMYJQUKH-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2cc(C)ccc2C)c1 ZINC000049258123 179201080 /nfs/dbraw/zinc/20/10/80/179201080.db2.gz ISRTVOADGGCXCC-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2cc(C)ccc2C)c1 ZINC000049258125 179187165 /nfs/dbraw/zinc/18/71/65/179187165.db2.gz ISRTVOADGGCXCC-KRWDZBQOSA-N 1 0 239.362 3.854 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1C)C(C)C ZINC000049258281 169279796 /nfs/dbraw/zinc/27/97/96/169279796.db2.gz IQMJNDFXRQQPII-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)C(C)C ZINC000049258283 169289419 /nfs/dbraw/zinc/28/94/19/169289419.db2.gz IQMJNDFXRQQPII-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)C1CCCC1 ZINC000049258400 173425066 /nfs/dbraw/zinc/42/50/66/173425066.db2.gz GZOQWXBKYKGCHO-INIZCTEOSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@@H]1CCCc1ccccc1 ZINC000049258783 170150326 /nfs/dbraw/zinc/15/03/26/170150326.db2.gz KAFOPERVNJZFGW-JKSUJKDBSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@H]1CCC[C@@H]1CCCc1ccccc1 ZINC000049258785 170166940 /nfs/dbraw/zinc/16/69/40/170166940.db2.gz KAFOPERVNJZFGW-HOTGVXAUSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@H]1CCCc1ccccc1 ZINC000049258787 170151188 /nfs/dbraw/zinc/15/11/88/170151188.db2.gz KAFOPERVNJZFGW-HZPDHXFCSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@H]1CCC[C@H]1CCCc1ccccc1 ZINC000049258789 170166387 /nfs/dbraw/zinc/16/63/87/170166387.db2.gz KAFOPERVNJZFGW-CVEARBPZSA-N 1 0 231.383 3.788 10 0 BHAERO C[NH2+][C@H]1CCCC[C@H]1CCCc1ccccc1 ZINC000049258797 173460634 /nfs/dbraw/zinc/46/06/34/173460634.db2.gz WPMMUBJEBWMGEN-HOTGVXAUSA-N 1 0 231.383 3.788 10 0 BHAERO CC[NH2+][C@@H](CCCOC(C)C)c1ccccc1 ZINC000049260300 170145202 /nfs/dbraw/zinc/14/52/02/170145202.db2.gz ACDRCNNFISSKRW-HNNXBMFYSA-N 1 0 235.371 3.542 10 0 BHAERO CC[NH2+][C@H](CCCOC(C)C)c1ccccc1 ZINC000049260302 170161594 /nfs/dbraw/zinc/16/15/94/170161594.db2.gz ACDRCNNFISSKRW-OAHLLOKOSA-N 1 0 235.371 3.542 10 0 BHAERO CCC[NH2+][C@@H](CCCOC(C)C)c1ccccc1 ZINC000049260304 169278402 /nfs/dbraw/zinc/27/84/02/169278402.db2.gz VOAJMVVQTAFBTR-INIZCTEOSA-N 1 0 249.398 3.933 10 0 BHAERO CCC[NH2+][C@H](CCCOC(C)C)c1ccccc1 ZINC000049260306 169288880 /nfs/dbraw/zinc/28/88/80/169288880.db2.gz VOAJMVVQTAFBTR-MRXNPFEDSA-N 1 0 249.398 3.933 10 0 BHAERO CCCCOCCC[C@H]([NH2+]CC)c1ccccc1 ZINC000049263255 187435574 /nfs/dbraw/zinc/43/55/74/187435574.db2.gz UBEPVCKQWXKTJN-INIZCTEOSA-N 1 0 249.398 3.934 10 0 BHAERO CCCCOCCC[C@H](CCC)[NH2+]CCC ZINC000049263277 188124278 /nfs/dbraw/zinc/12/42/78/188124278.db2.gz UBYLJKKNZSOBRR-AWEZNQCLSA-N 1 0 229.408 3.752 10 0 BHAERO CCCCOCCC[C@H]([NH2+]CCC)C(C)(C)C ZINC000049263293 188299091 /nfs/dbraw/zinc/29/90/91/188299091.db2.gz BKXDZRBKEUGQQC-AWEZNQCLSA-N 1 0 243.435 3.998 10 0 BHAERO CC[NH2+][C@@H](CCCOCCC(C)C)C(C)(C)C ZINC000049267053 170145250 /nfs/dbraw/zinc/14/52/50/170145250.db2.gz DXJCWASMVDPKMB-AWEZNQCLSA-N 1 0 243.435 3.854 10 0 BHAERO CC[NH2+][C@H](CCCOCCC(C)C)C(C)(C)C ZINC000049267057 170161843 /nfs/dbraw/zinc/16/18/43/170161843.db2.gz DXJCWASMVDPKMB-CQSZACIVSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H](CCCOCCC(C)C)C(C)C ZINC000049267096 169277711 /nfs/dbraw/zinc/27/77/11/169277711.db2.gz UKFWCJIPVDNWCY-HNNXBMFYSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@H](CCCOCCC(C)C)C(C)C ZINC000049267099 169289395 /nfs/dbraw/zinc/28/93/95/169289395.db2.gz UKFWCJIPVDNWCY-OAHLLOKOSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](CC)CCOCCC(C)C ZINC000049267173 169276101 /nfs/dbraw/zinc/27/61/01/169276101.db2.gz ZLFQSJWLDQAXRL-GJZGRUSLSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](CC)CCOCCC(C)C ZINC000049267176 169285929 /nfs/dbraw/zinc/28/59/29/169285929.db2.gz ZLFQSJWLDQAXRL-CABCVRRESA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](CC)CCOCCC(C)C ZINC000049267180 169275816 /nfs/dbraw/zinc/27/58/16/169275816.db2.gz ZLFQSJWLDQAXRL-LSDHHAIUSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](CC)CCOCCC(C)C ZINC000049267183 169286442 /nfs/dbraw/zinc/28/64/42/169286442.db2.gz ZLFQSJWLDQAXRL-HUUCEWRRSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCOCCC(C)C ZINC000049267224 169282127 /nfs/dbraw/zinc/28/21/27/169282127.db2.gz FXVNDMWCEMHREB-HUUCEWRRSA-N 1 0 241.419 3.608 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1CCOCCC(C)C ZINC000049267227 169290734 /nfs/dbraw/zinc/29/07/34/169290734.db2.gz FXVNDMWCEMHREB-CABCVRRESA-N 1 0 241.419 3.608 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1CCOCCC(C)C ZINC000049267230 169282244 /nfs/dbraw/zinc/28/22/44/169282244.db2.gz FXVNDMWCEMHREB-LSDHHAIUSA-N 1 0 241.419 3.608 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1CCOCCC(C)C ZINC000049267233 169291346 /nfs/dbraw/zinc/29/13/46/169291346.db2.gz FXVNDMWCEMHREB-GJZGRUSLSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1CCOCCC(C)C ZINC000049267259 170151111 /nfs/dbraw/zinc/15/11/11/170151111.db2.gz CXOOIYYNQSHZFF-HUUCEWRRSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1CCOCCC(C)C ZINC000049267263 170165876 /nfs/dbraw/zinc/16/58/76/170165876.db2.gz CXOOIYYNQSHZFF-CABCVRRESA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1CCOCCC(C)C ZINC000049267266 170151051 /nfs/dbraw/zinc/15/10/51/170151051.db2.gz CXOOIYYNQSHZFF-LSDHHAIUSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1CCOCCC(C)C ZINC000049267269 170165986 /nfs/dbraw/zinc/16/59/86/170165986.db2.gz CXOOIYYNQSHZFF-GJZGRUSLSA-N 1 0 241.419 3.608 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2cc(F)cc(F)c2)c1 ZINC000049348865 179200494 /nfs/dbraw/zinc/20/04/94/179200494.db2.gz PGEDYDXNBLGLOU-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2cc(F)cc(F)c2)c1 ZINC000049348869 179186315 /nfs/dbraw/zinc/18/63/15/179186315.db2.gz PGEDYDXNBLGLOU-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000049348917 179343520 /nfs/dbraw/zinc/34/35/20/179343520.db2.gz UGPGMDXIXRNJRD-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000049348921 179324571 /nfs/dbraw/zinc/32/45/71/179324571.db2.gz UGPGMDXIXRNJRD-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(F)cc(F)c1)C(C)C ZINC000049349524 169279686 /nfs/dbraw/zinc/27/96/86/169279686.db2.gz QZAXLMVSPIFDKQ-AWEZNQCLSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)C(C)C ZINC000049349528 169289488 /nfs/dbraw/zinc/28/94/88/169289488.db2.gz QZAXLMVSPIFDKQ-CQSZACIVSA-N 1 0 241.325 3.532 10 0 BHAERO [NH3+]CC1(c2cc(F)cc(F)c2)CCCCCC1 ZINC000049350931 181361487 /nfs/dbraw/zinc/36/14/87/181361487.db2.gz IOMUCNJNAQLFAX-UHFFFAOYSA-N 1 0 239.309 3.516 10 0 BHAERO Cc1cc([C@@H](C)Nc2cc[nH+]cc2N)c(C)s1 ZINC000049506134 178234077 /nfs/dbraw/zinc/23/40/77/178234077.db2.gz MMBIMDRPMDIKET-SECBINFHSA-N 1 0 247.367 3.515 10 0 BHAERO Cc1cc([C@H](C)Nc2cc[nH+]cc2N)c(C)s1 ZINC000049506136 178260056 /nfs/dbraw/zinc/26/00/56/178260056.db2.gz MMBIMDRPMDIKET-VIFPVBQESA-N 1 0 247.367 3.515 10 0 BHAERO Cc1cc([C@@H](C)Nc2cc[nH+]cc2)c(C)s1 ZINC000049509509 178233890 /nfs/dbraw/zinc/23/38/90/178233890.db2.gz MDQFRSUJCYUDAB-SNVBAGLBSA-N 1 0 232.352 3.933 10 0 BHAERO Cc1cc([C@H](C)Nc2cc[nH+]cc2)c(C)s1 ZINC000049509511 178259570 /nfs/dbraw/zinc/25/95/70/178259570.db2.gz MDQFRSUJCYUDAB-JTQLQIEISA-N 1 0 232.352 3.933 10 0 BHAERO Cc1ccccc1[C@H](C)NC1=[NH+]C(C)(C)CS1 ZINC000049526591 179337872 /nfs/dbraw/zinc/33/78/72/179337872.db2.gz NUODQBKOAPIRNN-NSHDSACASA-N 1 0 248.395 3.527 10 0 BHAERO COc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C ZINC000049528664 175154947 /nfs/dbraw/zinc/15/49/47/175154947.db2.gz SHGGZHANUHVZCA-OUCADQQQSA-N 1 0 231.339 3.604 10 0 BHAERO COc1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C ZINC000049528665 175156291 /nfs/dbraw/zinc/15/62/91/175156291.db2.gz SHGGZHANUHVZCA-SCRDCRAPSA-N 1 0 231.339 3.604 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H](CC)c1cccs1 ZINC000049529226 171286780 /nfs/dbraw/zinc/28/67/80/171286780.db2.gz UKAMPEGSTGLQPI-QWRGUYRKSA-N 1 0 211.374 3.835 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H](C)CC)c1cccs1 ZINC000049529228 171287803 /nfs/dbraw/zinc/28/78/03/171287803.db2.gz UKAMPEGSTGLQPI-WDEREUQCSA-N 1 0 211.374 3.835 10 0 BHAERO CC[C@H](Nc1cc(C)nc(C)n1)c1cccs1 ZINC000049531160 353168207 /nfs/dbraw/zinc/16/82/07/353168207.db2.gz VFNPLBXWOKLBJV-NSHDSACASA-N 1 0 247.367 3.718 10 0 BHAERO CC[C@@H](Nc1cc(C)nc(C)n1)c1cccs1 ZINC000049531161 353168263 /nfs/dbraw/zinc/16/82/63/353168263.db2.gz VFNPLBXWOKLBJV-LLVKDONJSA-N 1 0 247.367 3.718 10 0 BHAERO CC(C)[C@H](Nc1cc[nH+]cc1N)c1cccs1 ZINC000049555085 187270470 /nfs/dbraw/zinc/27/04/70/187270470.db2.gz ZFGLVGCBTRDOCB-ZDUSSCGKSA-N 1 0 247.367 3.535 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(-c2cncc(F)c2)cc1 ZINC000049576662 170141109 /nfs/dbraw/zinc/14/11/09/170141109.db2.gz VIIQRZKWHJHDCO-NSHDSACASA-N 1 0 244.313 3.558 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(-c2cncc(F)c2)cc1 ZINC000049576663 170159548 /nfs/dbraw/zinc/15/95/48/170159548.db2.gz VIIQRZKWHJHDCO-LLVKDONJSA-N 1 0 244.313 3.558 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1-c1cncc(F)c1 ZINC000049576690 170141801 /nfs/dbraw/zinc/14/18/01/170141801.db2.gz SQWAMGNQFLRGMN-NSHDSACASA-N 1 0 244.313 3.558 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1-c1cncc(F)c1 ZINC000049576691 170160276 /nfs/dbraw/zinc/16/02/76/170160276.db2.gz SQWAMGNQFLRGMN-LLVKDONJSA-N 1 0 244.313 3.558 10 0 BHAERO CC[NH2+][C@@H](C)c1cccc(-c2cncc(F)c2)c1 ZINC000049576700 170142179 /nfs/dbraw/zinc/14/21/79/170142179.db2.gz JLVNUHHEGMTHCF-NSHDSACASA-N 1 0 244.313 3.558 10 0 BHAERO CC[NH2+][C@H](C)c1cccc(-c2cncc(F)c2)c1 ZINC000049576701 170159196 /nfs/dbraw/zinc/15/91/96/170159196.db2.gz JLVNUHHEGMTHCF-LLVKDONJSA-N 1 0 244.313 3.558 10 0 BHAERO Cc1ccc(C(C)C)c(OCCCCC(N)=[NH2+])c1 ZINC000049579931 178451618 /nfs/dbraw/zinc/45/16/18/178451618.db2.gz BJVRUOJYMGSWNK-UHFFFAOYSA-N 1 0 248.370 3.603 10 0 BHAERO Cc1cc(OCCCCC(N)=[NH2+])ccc1C(C)C ZINC000049579932 178209651 /nfs/dbraw/zinc/20/96/51/178209651.db2.gz AYACDJZXEXOLHF-UHFFFAOYSA-N 1 0 248.370 3.603 10 0 BHAERO Cc1cc(OCCCCC[NH3+])ccc1C(C)C ZINC000049582129 178210293 /nfs/dbraw/zinc/21/02/93/178210293.db2.gz JLYYYKKFNXVUCW-UHFFFAOYSA-N 1 0 235.371 3.626 10 0 BHAERO CCC(C)(C)c1ccc(OCCCCC[NH3+])cc1 ZINC000049582133 168305692 /nfs/dbraw/zinc/30/56/92/168305692.db2.gz DJHJWYICIGZHMM-UHFFFAOYSA-N 1 0 249.398 3.882 10 0 BHAERO [NH2+]=C1CCCCN1c1cccc2ccccc21 ZINC000049583863 132356275 /nfs/dbraw/zinc/35/62/75/132356275.db2.gz SQIXHNPAJPUKJU-UHFFFAOYSA-N 1 0 224.307 3.807 10 0 BHAERO CC(C)(C)c1ccc(N2CCCCC2=[NH2+])cc1 ZINC000049583867 535117283 /nfs/dbraw/zinc/11/72/83/535117283.db2.gz NRIPJAWUNDIGGB-UHFFFAOYSA-N 1 0 230.355 3.952 10 0 BHAERO [NH2+]=C1CCCCN1c1ccccc1C(F)(F)F ZINC000049583900 132356253 /nfs/dbraw/zinc/35/62/53/132356253.db2.gz JGHXSLORLUKARR-UHFFFAOYSA-N 1 0 242.244 3.673 10 0 BHAERO [NH2+]=C1CCCCN1c1ccc(C(F)(F)F)cc1 ZINC000049583910 132356281 /nfs/dbraw/zinc/35/62/81/132356281.db2.gz GXUPIZZAPQJPNF-UHFFFAOYSA-N 1 0 242.244 3.673 10 0 BHAERO [NH2+]=C1CCCCN1c1cccc(C(F)(F)F)c1 ZINC000049583950 132356311 /nfs/dbraw/zinc/35/63/11/132356311.db2.gz MXGGRPNGHOBFLE-UHFFFAOYSA-N 1 0 242.244 3.673 10 0 BHAERO [NH2+]=C1CCCCN1c1cccc2c1CCCC2 ZINC000049583981 132356187 /nfs/dbraw/zinc/35/61/87/132356187.db2.gz SETVZYXSAHRYSY-UHFFFAOYSA-N 1 0 228.339 3.533 10 0 BHAERO CCCCc1ccc(N2CCCCC2=[NH2+])cc1 ZINC000049584213 132356248 /nfs/dbraw/zinc/35/62/48/132356248.db2.gz BVVQJZQLGXFWCM-UHFFFAOYSA-N 1 0 230.355 3.997 10 0 BHAERO Cc1ccc(CC[C@H]([NH3+])c2ccccc2)cc1C ZINC000049668925 178537495 /nfs/dbraw/zinc/53/74/95/178537495.db2.gz OAGAUBSBZGQYHO-KRWDZBQOSA-N 1 0 239.362 3.936 10 0 BHAERO Cc1ccc(CC[C@@H]([NH3+])c2ccccc2)cc1C ZINC000049668926 188481209 /nfs/dbraw/zinc/48/12/09/188481209.db2.gz OAGAUBSBZGQYHO-QGZVFWFLSA-N 1 0 239.362 3.936 10 0 BHAERO CC[NH2+][C@@H](CCc1ccc(C)c(C)c1)C(C)C ZINC000049668957 170145351 /nfs/dbraw/zinc/14/53/51/170145351.db2.gz IRQXGJMRJYIRIR-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](CCc1ccc(C)c(C)c1)C(C)C ZINC000049668958 170162487 /nfs/dbraw/zinc/16/24/87/170162487.db2.gz IRQXGJMRJYIRIR-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(C)c(C)c1 ZINC000049668967 169275814 /nfs/dbraw/zinc/27/58/14/169275814.db2.gz NHGPSPAYRKSXRX-GJZGRUSLSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccc(C)c(C)c1 ZINC000049668968 169285996 /nfs/dbraw/zinc/28/59/96/169285996.db2.gz NHGPSPAYRKSXRX-LSDHHAIUSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(C)c(C)c1 ZINC000049668969 169275750 /nfs/dbraw/zinc/27/57/50/169275750.db2.gz NHGPSPAYRKSXRX-CABCVRRESA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1ccc(C)c(C)c1 ZINC000049668970 169286249 /nfs/dbraw/zinc/28/62/49/169286249.db2.gz NHGPSPAYRKSXRX-HUUCEWRRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049668993 170150517 /nfs/dbraw/zinc/15/05/17/170150517.db2.gz VHYPONOXQQFBTQ-HZPDHXFCSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049668995 170166687 /nfs/dbraw/zinc/16/66/87/170166687.db2.gz VHYPONOXQQFBTQ-CVEARBPZSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049668997 170151674 /nfs/dbraw/zinc/15/16/74/170151674.db2.gz VHYPONOXQQFBTQ-JKSUJKDBSA-N 1 0 231.383 3.624 10 0 BHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049668999 170166888 /nfs/dbraw/zinc/16/68/88/170166888.db2.gz VHYPONOXQQFBTQ-HOTGVXAUSA-N 1 0 231.383 3.624 10 0 BHAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049669017 173431912 /nfs/dbraw/zinc/43/19/12/173431912.db2.gz YQMAGLQSZKIYIT-HZPDHXFCSA-N 1 0 231.383 3.624 10 0 BHAERO Cc1ccc(C[C@@]2([NH3+])CCC[C@H](C)C2)cc1C ZINC000049669176 178650112 /nfs/dbraw/zinc/65/01/12/178650112.db2.gz CUGVRSJVSFQGQT-BLLLJJGKSA-N 1 0 231.383 3.754 10 0 BHAERO Cc1ccc(CC2([NH3+])CCC(C)CC2)cc1C ZINC000049669179 178523660 /nfs/dbraw/zinc/52/36/60/178523660.db2.gz RPQHKJKOBSVSFY-UHFFFAOYSA-N 1 0 231.383 3.754 10 0 BHAERO Cc1ccc(C[C@H]([NH3+])c2cccc(F)c2)cc1C ZINC000049669482 178652628 /nfs/dbraw/zinc/65/26/28/178652628.db2.gz DMJLRKZPYOAIOZ-INIZCTEOSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])c2cccc(F)c2)cc1C ZINC000049669484 178648531 /nfs/dbraw/zinc/64/85/31/178648531.db2.gz DMJLRKZPYOAIOZ-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cccc([C@H]([NH3+])Cc2ccc(C)c(C)c2)c1 ZINC000049669544 179200460 /nfs/dbraw/zinc/20/04/60/179200460.db2.gz RLGSFEUIXWXWRM-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc([C@@H]([NH3+])Cc2ccc(C)c(C)c2)c1 ZINC000049669545 179187067 /nfs/dbraw/zinc/18/70/67/179187067.db2.gz RLGSFEUIXWXWRM-KRWDZBQOSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])C2CCCCC2)cc1C ZINC000049669549 178646863 /nfs/dbraw/zinc/64/68/63/178646863.db2.gz MFWHPHBSFSAWCW-MRXNPFEDSA-N 1 0 231.383 3.754 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)CC(C)C ZINC000049669617 170146437 /nfs/dbraw/zinc/14/64/37/170146437.db2.gz AFFMPHPABDSEDA-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)CC(C)C ZINC000049669618 170162178 /nfs/dbraw/zinc/16/21/78/170162178.db2.gz AFFMPHPABDSEDA-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)C(C)C ZINC000049669627 169279338 /nfs/dbraw/zinc/27/93/38/169279338.db2.gz XMVNRPQIMNBTBJ-INIZCTEOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1ccc(C)c(C)c1)C(C)C ZINC000049669628 169289206 /nfs/dbraw/zinc/28/92/06/169289206.db2.gz XMVNRPQIMNBTBJ-MRXNPFEDSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)C(C)(C)C ZINC000049669697 170146884 /nfs/dbraw/zinc/14/68/84/170146884.db2.gz PDLFJVMLHFCJPO-HNNXBMFYSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)C(C)(C)C ZINC000049669699 170162492 /nfs/dbraw/zinc/16/24/92/170162492.db2.gz PDLFJVMLHFCJPO-OAHLLOKOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+]Cc1cnc(-c2cc(C)ccc2C)s1 ZINC000049670101 170128842 /nfs/dbraw/zinc/12/88/42/170128842.db2.gz YOTPIQQHAOUPDS-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO CC[NH2+]Cc1csc(-c2cc(C)ccc2C)n1 ZINC000049670110 170130297 /nfs/dbraw/zinc/13/02/97/170130297.db2.gz WUXZWDFWTURDMZ-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO Cc1cc(C[NH2+]Cc2ccccc2F)c(C)s1 ZINC000049684978 178027258 /nfs/dbraw/zinc/02/72/58/178027258.db2.gz QILCTWORYCOGRX-UHFFFAOYSA-N 1 0 249.354 3.794 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)c2ccncc2)c(C)s1 ZINC000049685069 178030488 /nfs/dbraw/zinc/03/04/88/178030488.db2.gz QRWATEOWXDZYTD-NSHDSACASA-N 1 0 246.379 3.611 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)c2ccncc2)c(C)s1 ZINC000049685071 178038157 /nfs/dbraw/zinc/03/81/57/178038157.db2.gz QRWATEOWXDZYTD-LLVKDONJSA-N 1 0 246.379 3.611 10 0 BHAERO C[C@@H](c1cccs1)[N@H+](C)Cc1ccccc1N ZINC000049717078 176032445 /nfs/dbraw/zinc/03/24/45/176032445.db2.gz ABYLQTRPLJDGIN-NSHDSACASA-N 1 0 246.379 3.523 10 0 BHAERO C[C@H](c1cccs1)[N@H+](C)Cc1ccccc1N ZINC000049717079 177049434 /nfs/dbraw/zinc/04/94/34/177049434.db2.gz ABYLQTRPLJDGIN-LLVKDONJSA-N 1 0 246.379 3.523 10 0 BHAERO COc1ccc([C@H]([NH3+])CC2CC2)c2ccccc12 ZINC000049729437 175191998 /nfs/dbraw/zinc/19/19/98/175191998.db2.gz RRFJWNKAEPGYCN-OAHLLOKOSA-N 1 0 241.334 3.648 10 0 BHAERO COc1ccc([C@@H]([NH3+])CC2CC2)c2ccccc12 ZINC000049729438 175179459 /nfs/dbraw/zinc/17/94/59/175179459.db2.gz RRFJWNKAEPGYCN-HNNXBMFYSA-N 1 0 241.334 3.648 10 0 BHAERO CC[NH2+][C@@H](CC1CC1)c1c(F)cc(F)cc1F ZINC000049729934 170143801 /nfs/dbraw/zinc/14/38/01/170143801.db2.gz LTCVZTZRJOZYPZ-LBPRGKRZSA-N 1 0 243.272 3.555 10 0 BHAERO CC[NH2+][C@H](CC1CC1)c1c(F)cc(F)cc1F ZINC000049729935 170161856 /nfs/dbraw/zinc/16/18/56/170161856.db2.gz LTCVZTZRJOZYPZ-GFCCVEGCSA-N 1 0 243.272 3.555 10 0 BHAERO CCC[NH2+][C@@H](CC1CC1)c1cc(F)ccc1F ZINC000049730178 169277792 /nfs/dbraw/zinc/27/77/92/169277792.db2.gz FVAUJLFUSLQOHL-AWEZNQCLSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@H](CC1CC1)c1cc(F)ccc1F ZINC000049730180 169288957 /nfs/dbraw/zinc/28/89/57/169288957.db2.gz FVAUJLFUSLQOHL-CQSZACIVSA-N 1 0 239.309 3.806 10 0 BHAERO CCC[NH2+][C@@H](CC1CC1)c1ccc(OC)c(C)c1 ZINC000049730313 169277861 /nfs/dbraw/zinc/27/78/61/169277861.db2.gz YQLWJDISOSHKDR-HNNXBMFYSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@H](CC1CC1)c1ccc(OC)c(C)c1 ZINC000049730314 169288751 /nfs/dbraw/zinc/28/87/51/169288751.db2.gz YQLWJDISOSHKDR-OAHLLOKOSA-N 1 0 247.382 3.844 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)CC1CC1 ZINC000049731126 169279053 /nfs/dbraw/zinc/27/90/53/169279053.db2.gz HEZPVEHWGCBFDD-OAHLLOKOSA-N 1 0 235.346 3.537 10 0 BHAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)CC1CC1 ZINC000049731128 169290140 /nfs/dbraw/zinc/29/01/40/169290140.db2.gz HEZPVEHWGCBFDD-HNNXBMFYSA-N 1 0 235.346 3.537 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccc1C)CC1CC1 ZINC000049731192 169279532 /nfs/dbraw/zinc/27/95/32/169279532.db2.gz HWALLFPQGVEYAY-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccc1C)CC1CC1 ZINC000049731194 169289825 /nfs/dbraw/zinc/28/98/25/169289825.db2.gz HWALLFPQGVEYAY-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO Cc1cc(OCC[NH2+]CC(C)C)ccc1C(C)C ZINC000049754996 178211354 /nfs/dbraw/zinc/21/13/54/178211354.db2.gz YGQZGLDVMCNNSK-UHFFFAOYSA-N 1 0 249.398 3.743 10 0 BHAERO CC(C)(C)c1ccc(CC(C)(C)C[NH3+])cc1 ZINC000049804191 187270558 /nfs/dbraw/zinc/27/05/58/187270558.db2.gz AFOUPGAMPKMHEZ-UHFFFAOYSA-N 1 0 219.372 3.512 10 0 BHAERO CCC(CC)(C[NH3+])Cc1ccc(Cl)cc1 ZINC000049804219 168322978 /nfs/dbraw/zinc/32/29/78/168322978.db2.gz KLSJCXZIJRKBJC-UHFFFAOYSA-N 1 0 225.763 3.648 10 0 BHAERO CCC(CC)(C[NH3+])Cc1ccccc1Cl ZINC000049804220 168323106 /nfs/dbraw/zinc/32/31/06/168323106.db2.gz DNBKBBGLYAJOCH-UHFFFAOYSA-N 1 0 225.763 3.648 10 0 BHAERO CCC(CC)(C[NH3+])Cc1cccc(Cl)c1 ZINC000049804224 168323062 /nfs/dbraw/zinc/32/30/62/168323062.db2.gz NYUHTIIPRRLZKS-UHFFFAOYSA-N 1 0 225.763 3.648 10 0 BHAERO CCC(CC)(C[NH3+])Cc1c(F)cccc1Cl ZINC000049804227 168323371 /nfs/dbraw/zinc/32/33/71/168323371.db2.gz CGEXJZHJDGSRIV-UHFFFAOYSA-N 1 0 243.753 3.787 10 0 BHAERO CCC(CC)(C[NH3+])Cc1cc(C)ccc1C ZINC000049804246 168323369 /nfs/dbraw/zinc/32/33/69/168323369.db2.gz OTZUWYWEKBMOOZ-UHFFFAOYSA-N 1 0 219.372 3.611 10 0 BHAERO CCC(CC)(C[NH3+])Cc1c(C)cc(C)cc1C ZINC000049804247 168322640 /nfs/dbraw/zinc/32/26/40/168322640.db2.gz CUTMVMDCSCWVRG-UHFFFAOYSA-N 1 0 233.399 3.919 10 0 BHAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)c(C)c1 ZINC000049815852 178325563 /nfs/dbraw/zinc/32/55/63/178325563.db2.gz AEYDJNUVODEGDD-LLVKDONJSA-N 1 0 215.296 3.583 10 0 BHAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)c(C)c1 ZINC000049815853 178325975 /nfs/dbraw/zinc/32/59/75/178325975.db2.gz AEYDJNUVODEGDD-NSHDSACASA-N 1 0 215.296 3.583 10 0 BHAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1C ZINC000049815856 178325897 /nfs/dbraw/zinc/32/58/97/178325897.db2.gz PAMPOWRHOFTCIC-LLVKDONJSA-N 1 0 215.296 3.583 10 0 BHAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1C ZINC000049815857 178325213 /nfs/dbraw/zinc/32/52/13/178325213.db2.gz PAMPOWRHOFTCIC-NSHDSACASA-N 1 0 215.296 3.583 10 0 BHAERO Cc1cccc(-c2ccc([C@@H](C)[NH3+])o2)c1C ZINC000049815860 178993765 /nfs/dbraw/zinc/99/37/65/178993765.db2.gz HBDHOZRRUPBXAD-LLVKDONJSA-N 1 0 215.296 3.583 10 0 BHAERO CCc1ccc(-c2cc(C[NH3+])ccc2C)cc1 ZINC000049820203 171777535 /nfs/dbraw/zinc/77/75/35/171777535.db2.gz NNCQWCADNFSQTB-UHFFFAOYSA-N 1 0 225.335 3.683 10 0 BHAERO Cc1cc(C)cc(-c2cc(C[NH3+])ccc2C)c1 ZINC000049820208 177888588 /nfs/dbraw/zinc/88/85/88/177888588.db2.gz MNWXWNCDZNNTJX-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO Cc1ccc(-c2cc(C[NH3+])ccc2C)cc1C ZINC000049820209 178320150 /nfs/dbraw/zinc/32/01/50/178320150.db2.gz TXJCDPLBMDHTCY-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO Cc1ccc(-c2cc(C[NH3+])ccc2C)c(C)c1 ZINC000049820210 178320063 /nfs/dbraw/zinc/32/00/63/178320063.db2.gz XOWGFJRBNHBZPT-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO Cc1cccc(-c2cc(C[NH3+])ccc2C)c1C ZINC000049820212 178562056 /nfs/dbraw/zinc/56/20/56/178562056.db2.gz SGMWGEKPWSNORG-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO CC(C)(C)c1ccc(CC(C)(C)CC[NH3+])cc1 ZINC000049826027 188298874 /nfs/dbraw/zinc/29/88/74/188298874.db2.gz HUWQCZYGFOFYIL-UHFFFAOYSA-N 1 0 233.399 3.902 10 0 BHAERO Cc1cccc(C(C)C)c1NCC[C@H](C)C[NH3+] ZINC000049827009 188298376 /nfs/dbraw/zinc/29/83/76/188298376.db2.gz ZLSHSVVPYNGUMM-LBPRGKRZSA-N 1 0 234.387 3.515 10 0 BHAERO Cc1c(Cl)cccc1-c1ccc([C@@H](C)[NH3+])o1 ZINC000049827901 177600029 /nfs/dbraw/zinc/60/00/29/177600029.db2.gz JREBIPWWRPVKSC-SECBINFHSA-N 1 0 235.714 3.928 10 0 BHAERO Cc1cc(Cl)ccc1-c1ccc([C@H](C)[NH3+])o1 ZINC000049827906 178064759 /nfs/dbraw/zinc/06/47/59/178064759.db2.gz KKGBLLUKDOIYOB-VIFPVBQESA-N 1 0 235.714 3.928 10 0 BHAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1Cl ZINC000049827907 178325470 /nfs/dbraw/zinc/32/54/70/178325470.db2.gz WJKZCAUKBFQNOB-SECBINFHSA-N 1 0 235.714 3.928 10 0 BHAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1Cl ZINC000049827908 178325102 /nfs/dbraw/zinc/32/51/02/178325102.db2.gz WJKZCAUKBFQNOB-VIFPVBQESA-N 1 0 235.714 3.928 10 0 BHAERO CC(C)[NH2+]CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000049835819 167099586 /nfs/dbraw/zinc/09/95/86/167099586.db2.gz XXQPCEKDWUQIAY-UHFFFAOYSA-N 1 0 247.382 3.555 10 0 BHAERO CCCc1ccc(C(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000049835840 187609495 /nfs/dbraw/zinc/60/94/95/187609495.db2.gz GNKVBUVGOXHFMZ-UHFFFAOYSA-N 1 0 247.382 3.600 10 0 BHAERO CC[C@@H](C)[NH2+]CCC(=O)c1c(C)cc(C)cc1C ZINC000049835849 170750332 /nfs/dbraw/zinc/75/03/32/170750332.db2.gz HRUQOCPXJPOLBH-CQSZACIVSA-N 1 0 247.382 3.573 10 0 BHAERO CC[C@H](C)[NH2+]CCC(=O)c1c(C)cc(C)cc1C ZINC000049835850 171340672 /nfs/dbraw/zinc/34/06/72/171340672.db2.gz HRUQOCPXJPOLBH-AWEZNQCLSA-N 1 0 247.382 3.573 10 0 BHAERO COc1ccc(CC(C)(C)CC[NH3+])cc1C(C)C ZINC000049837719 175087461 /nfs/dbraw/zinc/08/74/61/175087461.db2.gz RZMXHOOCTHTRPY-UHFFFAOYSA-N 1 0 249.398 3.736 10 0 BHAERO COc1ccc(C(C)C)cc1CC(C)(C)CC[NH3+] ZINC000049837720 175068760 /nfs/dbraw/zinc/06/87/60/175068760.db2.gz IAZWPRLULAEYJD-UHFFFAOYSA-N 1 0 249.398 3.736 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccs1 ZINC000049852024 170150831 /nfs/dbraw/zinc/15/08/31/170150831.db2.gz CUGXUIHXLXRLAG-TZMCWYRMSA-N 1 0 237.412 3.849 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1cccs1 ZINC000049852026 170150230 /nfs/dbraw/zinc/15/02/30/170150230.db2.gz CUGXUIHXLXRLAG-GXTWGEPZSA-N 1 0 237.412 3.849 10 0 BHAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cccs1 ZINC000049852027 170166212 /nfs/dbraw/zinc/16/62/12/170166212.db2.gz CUGXUIHXLXRLAG-JSGCOSHPSA-N 1 0 237.412 3.849 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1O[C@@H]1CCCC[C@@H]1C ZINC000049894681 170150782 /nfs/dbraw/zinc/15/07/82/170150782.db2.gz OYRDEHHCBIYYQR-YJNKXOJESA-N 1 0 239.403 3.502 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1O[C@@H]1CCCC[C@@H]1C ZINC000049894682 170166005 /nfs/dbraw/zinc/16/60/05/170166005.db2.gz OYRDEHHCBIYYQR-XQLPTFJDSA-N 1 0 239.403 3.502 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1O[C@@H]1CCCC[C@@H]1C ZINC000049894684 170150774 /nfs/dbraw/zinc/15/07/74/170150774.db2.gz OYRDEHHCBIYYQR-GBJTYRQASA-N 1 0 239.403 3.502 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1O[C@@H]1CCCC[C@@H]1C ZINC000049894686 170166963 /nfs/dbraw/zinc/16/69/63/170166963.db2.gz OYRDEHHCBIYYQR-BYNSBNAKSA-N 1 0 239.403 3.502 10 0 BHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1O[C@@H](C)CC(C)C ZINC000049894838 169281810 /nfs/dbraw/zinc/28/18/10/169281810.db2.gz VSXFYHGZVCLQHV-ZNMIVQPWSA-N 1 0 241.419 3.748 10 0 BHAERO CCC[NH2+][C@H]1CCCC[C@@H]1O[C@@H](C)CC(C)C ZINC000049894840 169290454 /nfs/dbraw/zinc/29/04/54/169290454.db2.gz VSXFYHGZVCLQHV-KKUMJFAQSA-N 1 0 241.419 3.748 10 0 BHAERO CCC[NH2+][C@@H]1CCCC[C@H]1O[C@@H](C)CC(C)C ZINC000049894842 169282021 /nfs/dbraw/zinc/28/20/21/169282021.db2.gz VSXFYHGZVCLQHV-RRFJBIMHSA-N 1 0 241.419 3.748 10 0 BHAERO CCC[NH2+][C@H]1CCCC[C@H]1O[C@@H](C)CC(C)C ZINC000049894844 169290458 /nfs/dbraw/zinc/29/04/58/169290458.db2.gz VSXFYHGZVCLQHV-SOUVJXGZSA-N 1 0 241.419 3.748 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1OC1CCCCCC1 ZINC000049898953 169282026 /nfs/dbraw/zinc/28/20/26/169282026.db2.gz ANTMVCNUQDQJTI-CABCVRRESA-N 1 0 239.403 3.647 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1OC1CCCCCC1 ZINC000049898954 169291331 /nfs/dbraw/zinc/29/13/31/169291331.db2.gz ANTMVCNUQDQJTI-GJZGRUSLSA-N 1 0 239.403 3.647 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1OC1CCCCCC1 ZINC000049898955 169281821 /nfs/dbraw/zinc/28/18/21/169281821.db2.gz ANTMVCNUQDQJTI-HUUCEWRRSA-N 1 0 239.403 3.647 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1OC1CCCCCC1 ZINC000049898956 169292158 /nfs/dbraw/zinc/29/21/58/169292158.db2.gz ANTMVCNUQDQJTI-LSDHHAIUSA-N 1 0 239.403 3.647 10 0 BHAERO Clc1cccc2c1CN1CCCCCC1=[NH+]2 ZINC000049925389 384943333 /nfs/dbraw/zinc/94/33/33/384943333.db2.gz OMWVNMMKKOBHLD-UHFFFAOYSA-N 1 0 234.730 3.760 10 0 BHAERO Clc1ccc2c(c1)CN1CCCCCC1=[NH+]2 ZINC000049925470 384943406 /nfs/dbraw/zinc/94/34/06/384943406.db2.gz ZSYBVMLBRRAALN-UHFFFAOYSA-N 1 0 234.730 3.760 10 0 BHAERO Cc1ccccc1[C@@H](C)Nc1ccccn1 ZINC000049943000 179323498 /nfs/dbraw/zinc/32/34/98/179323498.db2.gz LHMLCYDVVSYMRA-GFCCVEGCSA-N 1 0 212.296 3.563 10 0 BHAERO Cc1ccccc1[C@H](C)Nc1ccccn1 ZINC000049943001 179340344 /nfs/dbraw/zinc/34/03/44/179340344.db2.gz LHMLCYDVVSYMRA-LBPRGKRZSA-N 1 0 212.296 3.563 10 0 BHAERO COc1ccc2cc([C@@H]([NH3+])C(C)C)ccc2c1 ZINC000049955749 175224354 /nfs/dbraw/zinc/22/43/54/175224354.db2.gz XPZUUWKYJRUYFZ-HNNXBMFYSA-N 1 0 229.323 3.504 10 0 BHAERO COc1ccc2cc([C@H]([NH3+])C(C)C)ccc2c1 ZINC000049955750 175224636 /nfs/dbraw/zinc/22/46/36/175224636.db2.gz XPZUUWKYJRUYFZ-OAHLLOKOSA-N 1 0 229.323 3.504 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(CC)cc1 ZINC000049962018 170158615 /nfs/dbraw/zinc/15/86/15/170158615.db2.gz MBTAOIZPRIYDHN-CZUORRHYSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(CC)cc1 ZINC000049962019 170158696 /nfs/dbraw/zinc/15/86/96/170158696.db2.gz MBTAOIZPRIYDHN-CJNGLKHVSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(CC)cc1 ZINC000049962021 170140724 /nfs/dbraw/zinc/14/07/24/170140724.db2.gz MBTAOIZPRIYDHN-XJKSGUPXSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(CC)cc1 ZINC000049962023 170140418 /nfs/dbraw/zinc/14/04/18/170140418.db2.gz MBTAOIZPRIYDHN-BBRMVZONSA-N 1 0 233.399 3.816 10 0 BHAERO Cc1cccc(N(C)c2ccc(C[NH3+])cc2C)c1 ZINC000049977697 179117973 /nfs/dbraw/zinc/11/79/73/179117973.db2.gz OZSLNIUNEGPTHR-UHFFFAOYSA-N 1 0 240.350 3.530 10 0 BHAERO Cc1ccccc1N(C)c1ccccc1[C@@H](C)[NH3+] ZINC000049987245 179294733 /nfs/dbraw/zinc/29/47/33/179294733.db2.gz LJURNMPDRRWSSG-CYBMUJFWSA-N 1 0 240.350 3.783 10 0 BHAERO Cc1ccccc1N(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000049987251 179294055 /nfs/dbraw/zinc/29/40/55/179294055.db2.gz ZEMQQUMJFWDZSO-CYBMUJFWSA-N 1 0 240.350 3.783 10 0 BHAERO Cc1ccc(N(C)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000050004724 178702418 /nfs/dbraw/zinc/70/24/18/178702418.db2.gz UXVMAQATOJFBBL-CYBMUJFWSA-N 1 0 240.350 3.783 10 0 BHAERO Cc1ccc([C@@](C)([NH3+])c2ccc(F)cc2)cc1C ZINC000050014265 178880232 /nfs/dbraw/zinc/88/02/32/178880232.db2.gz RJHCNMGBPUSYDR-INIZCTEOSA-N 1 0 243.325 3.665 10 0 BHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000050271795 343144768 /nfs/dbraw/zinc/14/47/68/343144768.db2.gz KNINYACZSBFVAS-NEPJUHHUSA-N 1 0 249.320 3.887 10 0 BHAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000050271882 180890143 /nfs/dbraw/zinc/89/01/43/180890143.db2.gz SFMXAPFBLWVBDQ-NWDGAFQWSA-N 1 0 249.320 3.887 10 0 BHAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000050271883 180890033 /nfs/dbraw/zinc/89/00/33/180890033.db2.gz SFMXAPFBLWVBDQ-RYUDHWBXSA-N 1 0 249.320 3.887 10 0 BHAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000050271885 180889153 /nfs/dbraw/zinc/88/91/53/180889153.db2.gz SFMXAPFBLWVBDQ-NEPJUHHUSA-N 1 0 249.320 3.887 10 0 BHAERO Cc1ccsc1[C@H]([NH3+])C1=CCCCC1 ZINC000050325497 344673481 /nfs/dbraw/zinc/67/34/81/344673481.db2.gz YLIZHTNOROJULM-LLVKDONJSA-N 1 0 207.342 3.557 10 0 BHAERO Cc1ccsc1[C@@H]([NH3+])C1=CCCCC1 ZINC000050325498 344673494 /nfs/dbraw/zinc/67/34/94/344673494.db2.gz YLIZHTNOROJULM-NSHDSACASA-N 1 0 207.342 3.557 10 0 BHAERO C[NH2+][C@@H](c1cccs1)C1=CCCCC1 ZINC000050325950 344673384 /nfs/dbraw/zinc/67/33/84/344673384.db2.gz YTTAFCWPHHWAHF-GFCCVEGCSA-N 1 0 207.342 3.509 10 0 BHAERO C[NH2+][C@H](c1cccs1)C1=CCCCC1 ZINC000050325952 344673430 /nfs/dbraw/zinc/67/34/30/344673430.db2.gz YTTAFCWPHHWAHF-LBPRGKRZSA-N 1 0 207.342 3.509 10 0 BHAERO C[NH2+][C@H](c1cc(C)oc1C)C1=CCCCC1 ZINC000050325964 173422239 /nfs/dbraw/zinc/42/22/39/173422239.db2.gz YEAMRCDKUGZESF-AWEZNQCLSA-N 1 0 219.328 3.657 10 0 BHAERO C[NH2+][C@@H](c1ccc(C)c(F)c1)C1=CCCCC1 ZINC000050326299 173451208 /nfs/dbraw/zinc/45/12/08/173451208.db2.gz PKNQAQHBZUFMCO-OAHLLOKOSA-N 1 0 233.330 3.895 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)C1=CCCCC1 ZINC000050326485 170146725 /nfs/dbraw/zinc/14/67/25/170146725.db2.gz GNFBSQWMYUYDNL-INIZCTEOSA-N 1 0 229.367 3.708 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)C1=CCCCC1 ZINC000050326486 170162514 /nfs/dbraw/zinc/16/25/14/170162514.db2.gz GNFBSQWMYUYDNL-MRXNPFEDSA-N 1 0 229.367 3.708 10 0 BHAERO CC[NH2+][C@@H](c1ccc(F)cc1)C1=CCCCC1 ZINC000050326600 170160782 /nfs/dbraw/zinc/16/07/82/170160782.db2.gz KDRWXDDDHYWSAD-OAHLLOKOSA-N 1 0 233.330 3.977 10 0 BHAERO CC[NH2+][C@H](c1ccc(F)cc1)C1=CCCCC1 ZINC000050326602 170143199 /nfs/dbraw/zinc/14/31/99/170143199.db2.gz KDRWXDDDHYWSAD-HNNXBMFYSA-N 1 0 233.330 3.977 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1)C1=CCCCC1 ZINC000050326692 170146473 /nfs/dbraw/zinc/14/64/73/170146473.db2.gz PGFYZLXMICSUFV-INIZCTEOSA-N 1 0 247.357 3.847 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1)C1=CCCCC1 ZINC000050326694 170162525 /nfs/dbraw/zinc/16/25/25/170162525.db2.gz PGFYZLXMICSUFV-MRXNPFEDSA-N 1 0 247.357 3.847 10 0 BHAERO CC[C@H](c1ccccc1)[C@H]([NH2+]C)C1=CCCC1 ZINC000050327318 171599756 /nfs/dbraw/zinc/59/97/56/171599756.db2.gz QKIIUXVSQDSJFN-HZPDHXFCSA-N 1 0 229.367 3.879 10 0 BHAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)C1=CCCC1 ZINC000050327564 170161082 /nfs/dbraw/zinc/16/10/82/170161082.db2.gz LTVLOLRMMSBYAE-OAHLLOKOSA-N 1 0 247.407 3.998 10 0 BHAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)C1=CCCC1 ZINC000050327565 170142637 /nfs/dbraw/zinc/14/26/37/170142637.db2.gz LTVLOLRMMSBYAE-HNNXBMFYSA-N 1 0 247.407 3.998 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)C1=CCCC1 ZINC000050327729 170145786 /nfs/dbraw/zinc/14/57/86/170145786.db2.gz SIBDSPFFFXBNAY-INIZCTEOSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)cc1)C1=CCCC1 ZINC000050327730 170162164 /nfs/dbraw/zinc/16/21/64/170162164.db2.gz SIBDSPFFFXBNAY-MRXNPFEDSA-N 1 0 229.367 3.626 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1c(F)cccc1F ZINC000050327814 170160687 /nfs/dbraw/zinc/16/06/87/170160687.db2.gz FASSZHBRAOVLSH-CQSZACIVSA-N 1 0 237.293 3.726 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1c(F)cccc1F ZINC000050327815 170142983 /nfs/dbraw/zinc/14/29/83/170142983.db2.gz FASSZHBRAOVLSH-AWEZNQCLSA-N 1 0 237.293 3.726 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1Cl)C1=CCCC1 ZINC000050327832 170146030 /nfs/dbraw/zinc/14/60/30/170146030.db2.gz LLMHEYSCHPFWOD-HNNXBMFYSA-N 1 0 249.785 3.971 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1Cl)C1=CCCC1 ZINC000050327833 170162927 /nfs/dbraw/zinc/16/29/27/170162927.db2.gz LLMHEYSCHPFWOD-OAHLLOKOSA-N 1 0 249.785 3.971 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1ccc2c(c1)CCC2 ZINC000050327850 170160662 /nfs/dbraw/zinc/16/06/62/170160662.db2.gz WXMQLHFMIGVFMP-QGZVFWFLSA-N 1 0 241.378 3.936 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1ccc2c(c1)CCC2 ZINC000050327851 170143155 /nfs/dbraw/zinc/14/31/55/170143155.db2.gz WXMQLHFMIGVFMP-KRWDZBQOSA-N 1 0 241.378 3.936 10 0 BHAERO CCC[NH2+][C@H](C1=CCCC1)c1ccc(OC)cc1 ZINC000050327989 169288275 /nfs/dbraw/zinc/28/82/75/169288275.db2.gz KOHIFBOHSPJNRG-MRXNPFEDSA-N 1 0 245.366 3.846 10 0 BHAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(OC)cc1 ZINC000050327990 169277091 /nfs/dbraw/zinc/27/70/91/169277091.db2.gz KOHIFBOHSPJNRG-INIZCTEOSA-N 1 0 245.366 3.846 10 0 BHAERO CCC[NH2+][C@H](C1=CCCC1)c1cccc(F)c1 ZINC000050328008 169288396 /nfs/dbraw/zinc/28/83/96/169288396.db2.gz RDVNBVKNQGQBBD-OAHLLOKOSA-N 1 0 233.330 3.977 10 0 BHAERO CCC[NH2+][C@@H](C1=CCCC1)c1cccc(F)c1 ZINC000050328009 169276567 /nfs/dbraw/zinc/27/65/67/169276567.db2.gz RDVNBVKNQGQBBD-HNNXBMFYSA-N 1 0 233.330 3.977 10 0 BHAERO CCC[NH2+][C@H](C1=CCCC1)c1cccc(OC)c1 ZINC000050328022 169288308 /nfs/dbraw/zinc/28/83/08/169288308.db2.gz ZCRKFTWSWIKPMN-MRXNPFEDSA-N 1 0 245.366 3.846 10 0 BHAERO CCC[NH2+][C@@H](C1=CCCC1)c1cccc(OC)c1 ZINC000050328023 169277481 /nfs/dbraw/zinc/27/74/81/169277481.db2.gz ZCRKFTWSWIKPMN-INIZCTEOSA-N 1 0 245.366 3.846 10 0 BHAERO Cc1cc([C@H]([NH3+])C2=CCCCCC2)c(C)o1 ZINC000050328072 178262404 /nfs/dbraw/zinc/26/24/04/178262404.db2.gz TUAAQXWWZGBHQW-CQSZACIVSA-N 1 0 219.328 3.787 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2=CCCCCC2)c(C)o1 ZINC000050328073 178236217 /nfs/dbraw/zinc/23/62/17/178236217.db2.gz TUAAQXWWZGBHQW-AWEZNQCLSA-N 1 0 219.328 3.787 10 0 BHAERO C[NH2+][C@@H](Cc1cccc(F)c1)C1=CCCCCC1 ZINC000050328530 173425871 /nfs/dbraw/zinc/42/58/71/173425871.db2.gz GSPIIFYODTZKQG-INIZCTEOSA-N 1 0 247.357 3.847 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccsc1)C(C)C ZINC000050344603 384699816 /nfs/dbraw/zinc/69/98/16/384699816.db2.gz KWLDMDHBLZDRGF-JQWIXIFHSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)C(C)C ZINC000050344606 384699492 /nfs/dbraw/zinc/69/94/92/384699492.db2.gz KWLDMDHBLZDRGF-CMPLNLGQSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccsc1)C(C)C ZINC000050344609 384699931 /nfs/dbraw/zinc/69/99/31/384699931.db2.gz KWLDMDHBLZDRGF-PWSUYJOCSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccsc1)C(C)C ZINC000050344612 384700187 /nfs/dbraw/zinc/70/01/87/384700187.db2.gz KWLDMDHBLZDRGF-ZYHUDNBSSA-N 1 0 211.374 3.833 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccsc1 ZINC000050344891 537908897 /nfs/dbraw/zinc/90/88/97/537908897.db2.gz VENPIJCZIYKLJF-GLQYFDAESA-N 1 0 243.375 3.955 10 0 BHAERO CCC[C@@H](CC)Nc1ccc(N)c2c[nH+]ccc12 ZINC000050399562 169380302 /nfs/dbraw/zinc/38/03/02/169380302.db2.gz ACHNVCFNJQHWON-LLVKDONJSA-N 1 0 243.354 3.808 10 0 BHAERO CCC[C@H](CC)Nc1ccc(N)c2c[nH+]ccc12 ZINC000050399565 169497241 /nfs/dbraw/zinc/49/72/41/169497241.db2.gz ACHNVCFNJQHWON-NSHDSACASA-N 1 0 243.354 3.808 10 0 BHAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000050400454 169379357 /nfs/dbraw/zinc/37/93/57/169379357.db2.gz OSMCJRFHOHTDCA-WDEREUQCSA-N 1 0 211.374 3.977 10 0 BHAERO CCC[C@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000050400456 643698254 /nfs/dbraw/zinc/69/82/54/643698254.db2.gz OSMCJRFHOHTDCA-QWRGUYRKSA-N 1 0 211.374 3.977 10 0 BHAERO CCC[C@@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000050400458 169380577 /nfs/dbraw/zinc/38/05/77/169380577.db2.gz OSMCJRFHOHTDCA-GHMZBOCLSA-N 1 0 211.374 3.977 10 0 BHAERO CCC[C@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000050400460 643698525 /nfs/dbraw/zinc/69/85/25/643698525.db2.gz OSMCJRFHOHTDCA-MNOVXSKESA-N 1 0 211.374 3.977 10 0 BHAERO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000050402895 169380523 /nfs/dbraw/zinc/38/05/23/169380523.db2.gz AFORMBFDDZRIHH-CZUORRHYSA-N 1 0 247.382 3.938 10 0 BHAERO CCC[C@@H](CC)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000050402900 169380725 /nfs/dbraw/zinc/38/07/25/169380725.db2.gz AFORMBFDDZRIHH-CJNGLKHVSA-N 1 0 247.382 3.938 10 0 BHAERO CCC[C@@H](CC)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000050405867 169380400 /nfs/dbraw/zinc/38/04/00/169380400.db2.gz XCKVTKZYFYSGRJ-GFCCVEGCSA-N 1 0 244.338 3.519 10 0 BHAERO CCC[C@@H](CC)n1c(N)[nH+]c2cc(F)ccc21 ZINC000050406366 169381905 /nfs/dbraw/zinc/38/19/05/169381905.db2.gz XIWGZZRHKJRMJA-SNVBAGLBSA-N 1 0 235.306 3.509 10 0 BHAERO CCC[C@@H](CC)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000050408032 169381801 /nfs/dbraw/zinc/38/18/01/169381801.db2.gz DGIAMNLKLMDJRJ-OCCSQVGLSA-N 1 0 234.387 3.884 10 0 BHAERO CCC[C@H](CC)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000050408035 169497433 /nfs/dbraw/zinc/49/74/33/169497433.db2.gz DGIAMNLKLMDJRJ-JSGCOSHPSA-N 1 0 234.387 3.884 10 0 BHAERO CCC[C@@H](CC)n1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000050408036 169382135 /nfs/dbraw/zinc/38/21/35/169382135.db2.gz DGIAMNLKLMDJRJ-TZMCWYRMSA-N 1 0 234.387 3.884 10 0 BHAERO CCC[C@H](CC)n1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000050408038 169497405 /nfs/dbraw/zinc/49/74/05/169497405.db2.gz DGIAMNLKLMDJRJ-GXTWGEPZSA-N 1 0 234.387 3.884 10 0 BHAERO CC[C@H](C)COc1ccc(C[NH2+]C(C)C)cc1 ZINC000050423586 171291319 /nfs/dbraw/zinc/29/13/19/171291319.db2.gz FBKWZXXYXSGTJY-ZDUSSCGKSA-N 1 0 235.371 3.610 10 0 BHAERO CCC[NH2+]Cc1cccc(OC[C@@H](C)CC)c1 ZINC000050423665 169267931 /nfs/dbraw/zinc/26/79/31/169267931.db2.gz OJCDNWVECWQFBR-ZDUSSCGKSA-N 1 0 235.371 3.611 10 0 BHAERO CCC[NH2+]Cc1cccc(OC[C@H](C)CC)c1 ZINC000050423667 169268419 /nfs/dbraw/zinc/26/84/19/169268419.db2.gz OJCDNWVECWQFBR-CYBMUJFWSA-N 1 0 235.371 3.611 10 0 BHAERO CC[C@@H](C)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000050424085 170712586 /nfs/dbraw/zinc/71/25/86/170712586.db2.gz IZGOUEPANRPDDK-WBMJQRKESA-N 1 0 247.382 3.708 10 0 BHAERO CC[C@H](C)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000050424087 171291534 /nfs/dbraw/zinc/29/15/34/171291534.db2.gz IZGOUEPANRPDDK-LRDDRELGSA-N 1 0 247.382 3.708 10 0 BHAERO CC[C@H](C)COc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000050424090 171291225 /nfs/dbraw/zinc/29/12/25/171291225.db2.gz IZGOUEPANRPDDK-BLLLJJGKSA-N 1 0 247.382 3.708 10 0 BHAERO CCC[N@@H+](Cc1ccccc1N)C[C@@H](C)CC ZINC000050425151 169177217 /nfs/dbraw/zinc/17/72/17/169177217.db2.gz ILOUQWWQEPSBNR-ZDUSSCGKSA-N 1 0 234.387 3.527 10 0 BHAERO CCC[N@@H+](Cc1ccccc1N)C[C@H](C)CC ZINC000050425153 169177479 /nfs/dbraw/zinc/17/74/79/169177479.db2.gz ILOUQWWQEPSBNR-CYBMUJFWSA-N 1 0 234.387 3.527 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1C[C@@H](C)CC ZINC000050426317 170169538 /nfs/dbraw/zinc/16/95/38/170169538.db2.gz TZSVXYNYPIIZQS-JGGQBBKZSA-N 1 0 231.383 3.946 10 0 BHAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1C[C@@H](C)CC ZINC000050426321 170170040 /nfs/dbraw/zinc/17/00/40/170170040.db2.gz TZSVXYNYPIIZQS-DUVNUKRYSA-N 1 0 231.383 3.946 10 0 BHAERO CCOC1(C[NH2+]C(C)(C)C)CCC(CC)CC1 ZINC000050482253 170318974 /nfs/dbraw/zinc/31/89/74/170318974.db2.gz ZCHKHJNOENXLOO-UHFFFAOYSA-N 1 0 241.419 3.750 10 0 BHAERO COC1(C[NH2+]C(C)(C)C)CCC(C(C)C)CC1 ZINC000050482617 174000481 /nfs/dbraw/zinc/00/04/81/174000481.db2.gz JCBCAYWWNLNBFW-UHFFFAOYSA-N 1 0 241.419 3.606 10 0 BHAERO CCCOC1(C[NH2+]C(C)(C)C)CCCCCC1 ZINC000050482761 169301686 /nfs/dbraw/zinc/30/16/86/169301686.db2.gz AIDPPPGPUQNJDG-UHFFFAOYSA-N 1 0 241.419 3.894 10 0 BHAERO CCCOC1(C[NH2+]C(C)C)CCC(CC)CC1 ZINC000050482983 169301792 /nfs/dbraw/zinc/30/17/92/169301792.db2.gz KNNIMXPHMURISP-UHFFFAOYSA-N 1 0 241.419 3.750 10 0 BHAERO CCCOC1(C[NH2+]C)CCC(C(C)(C)C)CC1 ZINC000050482997 169301360 /nfs/dbraw/zinc/30/13/60/169301360.db2.gz WEQSWJPMQQOYRK-UHFFFAOYSA-N 1 0 241.419 3.608 10 0 BHAERO CCCCO[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000050483110 168911066 /nfs/dbraw/zinc/91/10/66/168911066.db2.gz RNRUARHITGRYGU-HNNXBMFYSA-N 1 0 235.371 3.542 10 0 BHAERO CCCCO[C@H](C[NH2+]CCC)c1ccc(C)cc1 ZINC000050483127 168914423 /nfs/dbraw/zinc/91/44/23/168914423.db2.gz MMKNWFCABDVBBA-MRXNPFEDSA-N 1 0 249.398 3.852 10 0 BHAERO CC(C)OC1(C[NH2+]C(C)(C)C)CCCCCC1 ZINC000050483494 167174581 /nfs/dbraw/zinc/17/45/81/167174581.db2.gz KSYNQOVSTYFEAR-UHFFFAOYSA-N 1 0 241.419 3.893 10 0 BHAERO CC(C)[NH2+]C[C@H](OC(C)(C)C)c1ccccc1 ZINC000050483872 167115655 /nfs/dbraw/zinc/11/56/55/167115655.db2.gz LRTAWYHWQWEZDG-AWEZNQCLSA-N 1 0 235.371 3.541 10 0 BHAERO CC(C)[NH2+]C[C@@H](OC(C)(C)C)c1ccccc1 ZINC000050483874 167110991 /nfs/dbraw/zinc/11/09/91/167110991.db2.gz LRTAWYHWQWEZDG-CQSZACIVSA-N 1 0 235.371 3.541 10 0 BHAERO CCC[NH2+]C[C@H](OC(C)(C)C)c1ccc(C)cc1 ZINC000050483888 169264791 /nfs/dbraw/zinc/26/47/91/169264791.db2.gz WCCTZNOXGYURTN-HNNXBMFYSA-N 1 0 249.398 3.851 10 0 BHAERO CCC[NH2+]C[C@@H](OC(C)(C)C)c1ccc(C)cc1 ZINC000050483890 169262764 /nfs/dbraw/zinc/26/27/64/169262764.db2.gz WCCTZNOXGYURTN-OAHLLOKOSA-N 1 0 249.398 3.851 10 0 BHAERO Cc1ccccc1[C@H](C[NH2+]C1CC1)OC(C)(C)C ZINC000050483941 179342207 /nfs/dbraw/zinc/34/22/07/179342207.db2.gz GRXNRGQBYVCANP-HNNXBMFYSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1cccc([C@@H](C[NH2+]C(C)C)OC(C)(C)C)c1 ZINC000050483956 179185168 /nfs/dbraw/zinc/18/51/68/179185168.db2.gz LJSBXRKOIWLCMH-OAHLLOKOSA-N 1 0 249.398 3.849 10 0 BHAERO Cc1cccc([C@H](C[NH2+]C(C)C)OC(C)(C)C)c1 ZINC000050483957 179200402 /nfs/dbraw/zinc/20/04/02/179200402.db2.gz LJSBXRKOIWLCMH-HNNXBMFYSA-N 1 0 249.398 3.849 10 0 BHAERO CC1CCC(C[NH2+]C2CC2)(OC(C)(C)C)CC1 ZINC000050484117 168155005 /nfs/dbraw/zinc/15/50/05/168155005.db2.gz GTRDTBDISWYZFU-UHFFFAOYSA-N 1 0 239.403 3.502 10 0 BHAERO C[NH2+]CC1(OC(C)(C)C)CCC(C(C)C)CC1 ZINC000050484132 173337515 /nfs/dbraw/zinc/33/75/15/173337515.db2.gz GTWRMDOXUTXVSP-UHFFFAOYSA-N 1 0 241.419 3.606 10 0 BHAERO CC[C@@H](C)O[C@@H](C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000050484141 170765988 /nfs/dbraw/zinc/76/59/88/170765988.db2.gz QOUIFWSEAGRKDT-ZBFHGGJFSA-N 1 0 249.398 3.849 10 0 BHAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000050484143 171355219 /nfs/dbraw/zinc/35/52/19/171355219.db2.gz QOUIFWSEAGRKDT-HOCLYGCPSA-N 1 0 249.398 3.849 10 0 BHAERO CC[C@H](C)O[C@H](C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000050484146 171355504 /nfs/dbraw/zinc/35/55/04/171355504.db2.gz QOUIFWSEAGRKDT-GOEBONIOSA-N 1 0 249.398 3.849 10 0 BHAERO CCC[NH2+]CC1(O[C@H](C)CC)CCCCCC1 ZINC000050484424 169256460 /nfs/dbraw/zinc/25/64/60/169256460.db2.gz PFYVCZIXMJZSRX-CQSZACIVSA-N 1 0 241.419 3.894 10 0 BHAERO CC[C@@H](C)O[C@@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050484569 170765950 /nfs/dbraw/zinc/76/59/50/170765950.db2.gz SMABBYIDVXVVHG-CJNGLKHVSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H](C)O[C@@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050484570 171355691 /nfs/dbraw/zinc/35/56/91/171355691.db2.gz SMABBYIDVXVVHG-BBRMVZONSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@@H](C)O[C@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050484572 170765801 /nfs/dbraw/zinc/76/58/01/170765801.db2.gz SMABBYIDVXVVHG-CZUORRHYSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H](C)O[C@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050484573 171355724 /nfs/dbraw/zinc/35/57/24/171355724.db2.gz SMABBYIDVXVVHG-XJKSGUPXSA-N 1 0 247.382 3.603 10 0 BHAERO CCC[NH2+]CC1(OCC2CC2)CCCCCC1 ZINC000050485219 169256546 /nfs/dbraw/zinc/25/65/46/169256546.db2.gz INCWYWCGXZECAN-UHFFFAOYSA-N 1 0 239.403 3.506 10 0 BHAERO C[NH2+]C[C@@H](OC1CCCCC1)c1ccccc1C ZINC000050487114 173367169 /nfs/dbraw/zinc/36/71/69/173367169.db2.gz OSALAZUHEZLGES-MRXNPFEDSA-N 1 0 247.382 3.605 10 0 BHAERO C[NH2+]C[C@H](OC1CCCCC1)c1ccccc1C ZINC000050487116 173378211 /nfs/dbraw/zinc/37/82/11/173378211.db2.gz OSALAZUHEZLGES-INIZCTEOSA-N 1 0 247.382 3.605 10 0 BHAERO C[NH2+]CC1(OC2CCCCC2)CCC(C)CC1 ZINC000050487369 173337631 /nfs/dbraw/zinc/33/76/31/173337631.db2.gz SHTHIVWNURBWKZ-UHFFFAOYSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]CC1(OC2CCCCC2)CCCCCC1 ZINC000050487379 173337788 /nfs/dbraw/zinc/33/77/88/173337788.db2.gz QNTXCNSCHAMPHL-UHFFFAOYSA-N 1 0 239.403 3.648 10 0 BHAERO CC(C)[NH2+]CC1(OC2CCCC2)CCCCC1 ZINC000050487472 167100571 /nfs/dbraw/zinc/10/05/71/167100571.db2.gz VIROYHWLSMGIDT-UHFFFAOYSA-N 1 0 239.403 3.647 10 0 BHAERO CC(C)[NH2+]C[C@H](OC1CCCC1)c1ccccc1 ZINC000050487560 167115455 /nfs/dbraw/zinc/11/54/55/167115455.db2.gz IZSYYHQZJKJZBH-INIZCTEOSA-N 1 0 247.382 3.685 10 0 BHAERO CC(C)[NH2+]C[C@@H](OC1CCCC1)c1ccccc1 ZINC000050487562 167110330 /nfs/dbraw/zinc/11/03/30/167110330.db2.gz IZSYYHQZJKJZBH-MRXNPFEDSA-N 1 0 247.382 3.685 10 0 BHAERO CC[NH2+]C[C@H](OC1CCCC1)c1ccc(C)cc1 ZINC000050487580 170122544 /nfs/dbraw/zinc/12/25/44/170122544.db2.gz JABABEQTDREWIJ-INIZCTEOSA-N 1 0 247.382 3.605 10 0 BHAERO CC[NH2+]C[C@@H](OC1CCCC1)c1ccc(C)cc1 ZINC000050487583 170119967 /nfs/dbraw/zinc/11/99/67/170119967.db2.gz JABABEQTDREWIJ-MRXNPFEDSA-N 1 0 247.382 3.605 10 0 BHAERO CC[NH2+]CC1(OC2CCCC2)CCCCCC1 ZINC000050488005 170110184 /nfs/dbraw/zinc/11/01/84/170110184.db2.gz FNERZGUWAQQQRG-UHFFFAOYSA-N 1 0 239.403 3.648 10 0 BHAERO CC1CCC(OC2(C[NH3+])CCCCCC2)CC1 ZINC000050490857 168167071 /nfs/dbraw/zinc/16/70/71/168167071.db2.gz PJRUJLHDSZIFBY-UHFFFAOYSA-N 1 0 239.403 3.633 10 0 BHAERO CC[NH2+]CC1(OC2CCC(C)CC2)CCCC1 ZINC000050490952 170110841 /nfs/dbraw/zinc/11/08/41/170110841.db2.gz YOKWOCCQGMSUIT-UHFFFAOYSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]CC1(O[C@H]2CCCC[C@H]2C)CCCCC1 ZINC000050491081 173338065 /nfs/dbraw/zinc/33/80/65/173338065.db2.gz DIWDSROZZHGAPU-KGLIPLIRSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]CC1(O[C@H]2CCCC[C@@H]2C)CCCCC1 ZINC000050491085 173337664 /nfs/dbraw/zinc/33/76/64/173337664.db2.gz DIWDSROZZHGAPU-KBPBESRZSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]CC1(O[C@@H]2CCCC[C@H]2C)CCCCC1 ZINC000050491086 173337843 /nfs/dbraw/zinc/33/78/43/173337843.db2.gz DIWDSROZZHGAPU-ZIAGYGMSSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]CC1(O[C@@H]2CCCC[C@@H]2C)CCCCC1 ZINC000050491089 173337777 /nfs/dbraw/zinc/33/77/77/173337777.db2.gz DIWDSROZZHGAPU-UONOGXRCSA-N 1 0 239.403 3.504 10 0 BHAERO C[NH2+]C[C@H](O[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000050491178 173378315 /nfs/dbraw/zinc/37/83/15/173378315.db2.gz DJURJBQUUJFNKX-KBMXLJTQSA-N 1 0 247.382 3.542 10 0 BHAERO C[NH2+]C[C@H](O[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000050491181 173378221 /nfs/dbraw/zinc/37/82/21/173378221.db2.gz DJURJBQUUJFNKX-BPUTZDHNSA-N 1 0 247.382 3.542 10 0 BHAERO C[NH2+]C[C@H](O[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000050491183 173378046 /nfs/dbraw/zinc/37/80/46/173378046.db2.gz DJURJBQUUJFNKX-BMFZPTHFSA-N 1 0 247.382 3.542 10 0 BHAERO C[NH2+]C[C@H](O[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000050491185 173377980 /nfs/dbraw/zinc/37/79/80/173377980.db2.gz DJURJBQUUJFNKX-IMJJTQAJSA-N 1 0 247.382 3.542 10 0 BHAERO CC(C)COC1(C[NH2+]C2CC2)CCCCCC1 ZINC000050492046 167022651 /nfs/dbraw/zinc/02/26/51/167022651.db2.gz LOHUOQZBGANJND-UHFFFAOYSA-N 1 0 239.403 3.504 10 0 BHAERO Cc1ccccc1[C@H](C[NH2+]C(C)C)OCC(C)C ZINC000050492120 179342289 /nfs/dbraw/zinc/34/22/89/179342289.db2.gz BWTXNSRQQXGXHF-INIZCTEOSA-N 1 0 249.398 3.707 10 0 BHAERO CCC[NH2+]C[C@H](OCC(C)C)c1cccc(C)c1 ZINC000050492146 169264511 /nfs/dbraw/zinc/26/45/11/169264511.db2.gz BHCJCBQKIZLFAZ-INIZCTEOSA-N 1 0 249.398 3.708 10 0 BHAERO CCC[NH2+]C[C@@H](OCC(C)C)c1cccc(C)c1 ZINC000050492149 169262304 /nfs/dbraw/zinc/26/23/04/169262304.db2.gz BHCJCBQKIZLFAZ-MRXNPFEDSA-N 1 0 249.398 3.708 10 0 BHAERO CC(C)COC1(C[NH2+]C(C)C)CCC(C)CC1 ZINC000050492401 167022529 /nfs/dbraw/zinc/02/25/29/167022529.db2.gz XZJVZMUUKNRDHT-UHFFFAOYSA-N 1 0 241.419 3.606 10 0 BHAERO CCC[NH2+]CC1(OCCC(C)C)CCCCC1 ZINC000050493147 169256456 /nfs/dbraw/zinc/25/64/56/169256456.db2.gz HOBOEOJHEWTDQT-UHFFFAOYSA-N 1 0 241.419 3.752 10 0 BHAERO CC[NH2+]C[C@H](OCCC(C)C)c1ccccc1C ZINC000050493288 170122546 /nfs/dbraw/zinc/12/25/46/170122546.db2.gz GNZQIWUFCCUSBS-INIZCTEOSA-N 1 0 249.398 3.708 10 0 BHAERO CC[NH2+]C[C@@H](OCCC(C)C)c1ccccc1C ZINC000050493289 170120343 /nfs/dbraw/zinc/12/03/43/170120343.db2.gz GNZQIWUFCCUSBS-MRXNPFEDSA-N 1 0 249.398 3.708 10 0 BHAERO CC[NH2+]C[C@H](OCCCC(C)C)c1ccccc1 ZINC000050496848 170122383 /nfs/dbraw/zinc/12/23/83/170122383.db2.gz JRABBZCDQSVWHB-INIZCTEOSA-N 1 0 249.398 3.790 10 0 BHAERO CC[NH2+]C[C@@H](OCCCC(C)C)c1ccccc1 ZINC000050496851 170120000 /nfs/dbraw/zinc/12/00/00/170120000.db2.gz JRABBZCDQSVWHB-MRXNPFEDSA-N 1 0 249.398 3.790 10 0 BHAERO C[NH2+]C[C@@H](OCCCC(C)C)c1ccc(C)cc1 ZINC000050496863 173366960 /nfs/dbraw/zinc/36/69/60/173366960.db2.gz ILRQBPZSDNZXGF-MRXNPFEDSA-N 1 0 249.398 3.708 10 0 BHAERO C[NH2+]C[C@H](OCCCC(C)C)c1ccc(C)cc1 ZINC000050496864 173377850 /nfs/dbraw/zinc/37/78/50/173377850.db2.gz ILRQBPZSDNZXGF-INIZCTEOSA-N 1 0 249.398 3.708 10 0 BHAERO C[C@@H]1CCC[C@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000050497547 176146222 /nfs/dbraw/zinc/14/62/22/176146222.db2.gz DNBUTOHULQFDNB-KGLIPLIRSA-N 1 0 239.403 3.633 10 0 BHAERO C[C@H]1CCC[C@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000050497548 177138447 /nfs/dbraw/zinc/13/84/47/177138447.db2.gz DNBUTOHULQFDNB-KBPBESRZSA-N 1 0 239.403 3.633 10 0 BHAERO C[C@@H]1CCC[C@@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000050497550 176125484 /nfs/dbraw/zinc/12/54/84/176125484.db2.gz DNBUTOHULQFDNB-ZIAGYGMSSA-N 1 0 239.403 3.633 10 0 BHAERO [NH3+]CC1(OC2CCCCCC2)CCCCCC1 ZINC000050501053 181361891 /nfs/dbraw/zinc/36/18/91/181361891.db2.gz FYTJWIWMAHOLJV-UHFFFAOYSA-N 1 0 239.403 3.778 10 0 BHAERO CC[NH2+]CC1(OC2CCCCCC2)CCCC1 ZINC000050501113 170110389 /nfs/dbraw/zinc/11/03/89/170110389.db2.gz RNPJEEVKBJPJBZ-UHFFFAOYSA-N 1 0 239.403 3.648 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1O[C@@H](C)c1ccccc1 ZINC000050503293 169282030 /nfs/dbraw/zinc/28/20/30/169282030.db2.gz WJOWGJIDHSDMOI-IMJJTQAJSA-N 1 0 247.382 3.685 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1O[C@@H](C)c1ccccc1 ZINC000050503295 169291531 /nfs/dbraw/zinc/29/15/31/169291531.db2.gz WJOWGJIDHSDMOI-BPUTZDHNSA-N 1 0 247.382 3.685 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1O[C@@H](C)c1ccccc1 ZINC000050503297 169281782 /nfs/dbraw/zinc/28/17/82/169281782.db2.gz WJOWGJIDHSDMOI-NUEKZKHPSA-N 1 0 247.382 3.685 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1O[C@@H](C)c1ccccc1 ZINC000050503299 169291994 /nfs/dbraw/zinc/29/19/94/169291994.db2.gz WJOWGJIDHSDMOI-CWRNSKLLSA-N 1 0 247.382 3.685 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1O[C@@H](C)c1ccccc1 ZINC000050503331 170150641 /nfs/dbraw/zinc/15/06/41/170150641.db2.gz MXSMKRGREQRWOP-IMJJTQAJSA-N 1 0 247.382 3.685 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1O[C@@H](C)c1ccccc1 ZINC000050503333 170166111 /nfs/dbraw/zinc/16/61/11/170166111.db2.gz MXSMKRGREQRWOP-BPUTZDHNSA-N 1 0 247.382 3.685 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1O[C@@H](C)c1ccccc1 ZINC000050503334 170150521 /nfs/dbraw/zinc/15/05/21/170150521.db2.gz MXSMKRGREQRWOP-NUEKZKHPSA-N 1 0 247.382 3.685 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1O[C@@H](C)c1ccccc1 ZINC000050503337 170166727 /nfs/dbraw/zinc/16/67/27/170166727.db2.gz MXSMKRGREQRWOP-CWRNSKLLSA-N 1 0 247.382 3.685 10 0 BHAERO CCCCO[C@]1(C[NH2+]C(C)C)CCC[C@H](C)C1 ZINC000050503754 168914511 /nfs/dbraw/zinc/91/45/11/168914511.db2.gz KZXBUJBCSZQHSN-LSDHHAIUSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@]1(OC(C)(C)C)CCC[C@H](C)C1 ZINC000050503849 169264957 /nfs/dbraw/zinc/26/49/57/169264957.db2.gz YOPIWLYDCWACTJ-ZFWWWQNUSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@@]1(OC(C)(C)C)CCC[C@H](C)C1 ZINC000050503851 169263354 /nfs/dbraw/zinc/26/33/54/169263354.db2.gz YOPIWLYDCWACTJ-DZGCQCFKSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@]1(OC(C)(C)C)CCC[C@@H](C)C1 ZINC000050503853 169264508 /nfs/dbraw/zinc/26/45/08/169264508.db2.gz YOPIWLYDCWACTJ-HIFRSBDPSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@@]1(OC(C)(C)C)CCC[C@@H](C)C1 ZINC000050503855 169263852 /nfs/dbraw/zinc/26/38/52/169263852.db2.gz YOPIWLYDCWACTJ-UKRRQHHQSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@]1(O[C@@H](C)CC)CCC[C@H](C)C1 ZINC000050503897 169265015 /nfs/dbraw/zinc/26/50/15/169265015.db2.gz VRDYVFSQGMDECF-KKUMJFAQSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@]1(O[C@@H](C)CC)CCC[C@@H](C)C1 ZINC000050503900 169264674 /nfs/dbraw/zinc/26/46/74/169264674.db2.gz VRDYVFSQGMDECF-ILXRZTDVSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@@]1(O[C@@H](C)CC)CCC[C@@H](C)C1 ZINC000050503902 169264069 /nfs/dbraw/zinc/26/40/69/169264069.db2.gz VRDYVFSQGMDECF-QLFBSQMISA-N 1 0 241.419 3.750 10 0 BHAERO CC[NH2+][C@@H](COC1CCC1)c1ccc(C)cc1C ZINC000050519643 170146264 /nfs/dbraw/zinc/14/62/64/170146264.db2.gz SXGCGGSBPFRZHO-INIZCTEOSA-N 1 0 247.382 3.523 10 0 BHAERO CC[NH2+][C@H](COC1CCC1)c1ccc(C)cc1C ZINC000050519644 170162579 /nfs/dbraw/zinc/16/25/79/170162579.db2.gz SXGCGGSBPFRZHO-MRXNPFEDSA-N 1 0 247.382 3.523 10 0 BHAERO CCC[NH2+][C@@H](C)c1ccc(OC2CCC2)cc1 ZINC000050520700 169275565 /nfs/dbraw/zinc/27/55/65/169275565.db2.gz CDHHBQXPIGPUIA-LBPRGKRZSA-N 1 0 233.355 3.679 10 0 BHAERO CCC[NH2+][C@H](C)c1ccc(OC2CCC2)cc1 ZINC000050520701 169286893 /nfs/dbraw/zinc/28/68/93/169286893.db2.gz CDHHBQXPIGPUIA-GFCCVEGCSA-N 1 0 233.355 3.679 10 0 BHAERO Cc1cc(F)ccc1C[NH2+]C1CCC(C)CC1 ZINC000050569075 178085416 /nfs/dbraw/zinc/08/54/16/178085416.db2.gz GGEQMUAOUKXKDT-UHFFFAOYSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000050569094 178086684 /nfs/dbraw/zinc/08/66/84/178086684.db2.gz STYORHAKYKGGFL-XHDPSFHLSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(F)ccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000050569095 178087439 /nfs/dbraw/zinc/08/74/39/178087439.db2.gz STYORHAKYKGGFL-NHYWBVRUSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000050569096 178086899 /nfs/dbraw/zinc/08/68/99/178086899.db2.gz STYORHAKYKGGFL-IAQYHMDHSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(F)ccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000050569097 178086862 /nfs/dbraw/zinc/08/68/62/178086862.db2.gz STYORHAKYKGGFL-ABAIWWIYSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(F)ccc1C[NH2+]C1CCCCCC1 ZINC000050569156 178085943 /nfs/dbraw/zinc/08/59/43/178085943.db2.gz WNKRUBBZIKSNLE-UHFFFAOYSA-N 1 0 235.346 3.947 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000050569545 357712086 /nfs/dbraw/zinc/71/20/86/357712086.db2.gz KCNOAZBECSYZRF-GFCCVEGCSA-N 1 0 247.313 3.886 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000050569546 357711827 /nfs/dbraw/zinc/71/18/27/357711827.db2.gz KCNOAZBECSYZRF-LBPRGKRZSA-N 1 0 247.313 3.886 10 0 BHAERO Cc1cc(F)ccc1C[NH2+]C1(C)CCCCC1 ZINC000050577753 178085171 /nfs/dbraw/zinc/08/51/71/178085171.db2.gz YATJQBWUXRIKAB-UHFFFAOYSA-N 1 0 235.346 3.947 10 0 BHAERO Cc1ccc(N(C)c2ccc(C[NH3+])c(C)c2)cc1 ZINC000050584959 178702376 /nfs/dbraw/zinc/70/23/76/178702376.db2.gz GMXFTHFMZQDKEZ-UHFFFAOYSA-N 1 0 240.350 3.530 10 0 BHAERO Cc1cc(Oc2ccc(F)cc2F)ccc1C[NH3+] ZINC000050585348 178214863 /nfs/dbraw/zinc/21/48/63/178214863.db2.gz MNDBWFZLRQWOOH-UHFFFAOYSA-N 1 0 249.260 3.524 10 0 BHAERO Cc1cccc(Oc2ccc(C[NH3+])c(C)c2)c1C ZINC000050585374 178214768 /nfs/dbraw/zinc/21/47/68/178214768.db2.gz XSJJYFFEPYKUJI-UHFFFAOYSA-N 1 0 241.334 3.863 10 0 BHAERO CCn1cc[nH+]c1N[C@@H](C)c1ccc(Cl)cc1 ZINC000050614227 172228359 /nfs/dbraw/zinc/22/83/59/172228359.db2.gz HHQQCJQNOWYPJR-JTQLQIEISA-N 1 0 249.745 3.730 10 0 BHAERO CCn1cc[nH+]c1N[C@H](C)c1ccc(Cl)cc1 ZINC000050614228 172228240 /nfs/dbraw/zinc/22/82/40/172228240.db2.gz HHQQCJQNOWYPJR-SNVBAGLBSA-N 1 0 249.745 3.730 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cc(C)ccc1OC ZINC000050705592 169276406 /nfs/dbraw/zinc/27/64/06/169276406.db2.gz HLWJEKDZNBTUEU-KBPBESRZSA-N 1 0 249.398 3.570 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cc(C)ccc1OC ZINC000050705593 169285992 /nfs/dbraw/zinc/28/59/92/169285992.db2.gz HLWJEKDZNBTUEU-UONOGXRCSA-N 1 0 249.398 3.570 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cc(C)ccc1OC ZINC000050705594 169276374 /nfs/dbraw/zinc/27/63/74/169276374.db2.gz HLWJEKDZNBTUEU-KGLIPLIRSA-N 1 0 249.398 3.570 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cc(C)ccc1OC ZINC000050705595 169286107 /nfs/dbraw/zinc/28/61/07/169286107.db2.gz HLWJEKDZNBTUEU-ZIAGYGMSSA-N 1 0 249.398 3.570 10 0 BHAERO COc1ccc(C)cc1CC1([NH3+])CCCCCC1 ZINC000050706025 175073775 /nfs/dbraw/zinc/07/37/75/175073775.db2.gz FHECGVRCTRPGDC-UHFFFAOYSA-N 1 0 247.382 3.598 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1OC)C(C)C ZINC000050706750 169279690 /nfs/dbraw/zinc/27/96/90/169279690.db2.gz BFMKLLDLTMWIRL-HNNXBMFYSA-N 1 0 249.398 3.570 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)ccc1OC)C(C)C ZINC000050706751 169289065 /nfs/dbraw/zinc/28/90/65/169289065.db2.gz BFMKLLDLTMWIRL-OAHLLOKOSA-N 1 0 249.398 3.570 10 0 BHAERO CCNc1cc[nH+]c2ccc(C(C)(C)C)cc12 ZINC000050844044 170175106 /nfs/dbraw/zinc/17/51/06/170175106.db2.gz LHIDCRQNRLGLIZ-UHFFFAOYSA-N 1 0 228.339 3.964 10 0 BHAERO CCNc1cc(C(C)(C)C)[nH+]c2ccccc12 ZINC000050868614 170171457 /nfs/dbraw/zinc/17/14/57/170171457.db2.gz FQAOVYDJMJTNCD-UHFFFAOYSA-N 1 0 228.339 3.964 10 0 BHAERO CCCNc1cc(C)[nH+]c2cc(F)cc(F)c12 ZINC000050868742 169293846 /nfs/dbraw/zinc/29/38/46/169293846.db2.gz ZKVFBLAJGBNWIW-UHFFFAOYSA-N 1 0 236.265 3.643 10 0 BHAERO CCNc1cc(C)[nH+]c2c(C)cc(C)cc12 ZINC000050869057 170171912 /nfs/dbraw/zinc/17/19/12/170171912.db2.gz QNLGDKUZEWAYHY-UHFFFAOYSA-N 1 0 214.312 3.592 10 0 BHAERO CCCNc1cc(C)[nH+]c2ccc(C)cc12 ZINC000050869094 169293405 /nfs/dbraw/zinc/29/34/05/169293405.db2.gz ZMIZXGTWRHNLFV-UHFFFAOYSA-N 1 0 214.312 3.674 10 0 BHAERO CCc1ccc2[nH+]c(C(C)C)cc(NC)c2c1 ZINC000050869182 171850296 /nfs/dbraw/zinc/85/02/96/171850296.db2.gz QOECBTRKHHONJW-UHFFFAOYSA-N 1 0 228.339 3.962 10 0 BHAERO CCNc1c2c([nH+]c3c(C)cc(F)cc13)CCC2 ZINC000050869416 170171231 /nfs/dbraw/zinc/17/12/31/170171231.db2.gz JCASMZIIMPPSQQ-UHFFFAOYSA-N 1 0 244.313 3.603 10 0 BHAERO CCNc1c(C)c(C)[nH+]c2c(C)cc(F)cc12 ZINC000050869440 170170725 /nfs/dbraw/zinc/17/07/25/170170725.db2.gz ONBMAVCMXDPTKO-UHFFFAOYSA-N 1 0 232.302 3.731 10 0 BHAERO CCCCc1ccc2[nH+]c(CC)cc(N)c2c1 ZINC000050869736 169024019 /nfs/dbraw/zinc/02/40/19/169024019.db2.gz GOJJROZSVVEJKP-UHFFFAOYSA-N 1 0 228.339 3.722 10 0 BHAERO CCc1c(C)[nH+]c2ccc(C(C)C)cc2c1N ZINC000050869744 171741813 /nfs/dbraw/zinc/74/18/13/171741813.db2.gz MHAGGHJAZDQYGA-UHFFFAOYSA-N 1 0 228.339 3.811 10 0 BHAERO CCNc1cc(CC)[nH+]c2cc(F)c(F)cc12 ZINC000050870054 170172479 /nfs/dbraw/zinc/17/24/79/170172479.db2.gz VBHLNCGZUWKPIS-UHFFFAOYSA-N 1 0 236.265 3.507 10 0 BHAERO CCNc1c(C)c(C)[nH+]c2cc(C)cc(C)c21 ZINC000050870173 170170596 /nfs/dbraw/zinc/17/05/96/170170596.db2.gz QBRCHXZJUUBIDJ-UHFFFAOYSA-N 1 0 228.339 3.900 10 0 BHAERO CCNc1c2c([nH+]c3c(C)ccc(F)c13)CCC2 ZINC000050870233 170171064 /nfs/dbraw/zinc/17/10/64/170171064.db2.gz UJTUTLWTNJCKQN-UHFFFAOYSA-N 1 0 244.313 3.603 10 0 BHAERO Cc1cc(N)c2cccc(-c3ccccc3)c2[nH+]1 ZINC000050870369 178103649 /nfs/dbraw/zinc/10/36/49/178103649.db2.gz AAQDPADLRHSNSD-UHFFFAOYSA-N 1 0 234.302 3.792 10 0 BHAERO CCNc1c2c([nH+]c3c(C)c(C)ccc13)CCC2 ZINC000050870478 170171253 /nfs/dbraw/zinc/17/12/53/170171253.db2.gz HXWJFJOWCYASOW-UHFFFAOYSA-N 1 0 240.350 3.772 10 0 BHAERO CCNc1cc(C)[nH+]c2c(C)c(C)ccc12 ZINC000050870482 170172465 /nfs/dbraw/zinc/17/24/65/170172465.db2.gz VMLMLFRFAWBGQS-UHFFFAOYSA-N 1 0 214.312 3.592 10 0 BHAERO CCCNc1c2c([nH+]c3ccc(F)cc31)CCC2 ZINC000050870517 169293783 /nfs/dbraw/zinc/29/37/83/169293783.db2.gz IIQLRLIVDXTUHB-UHFFFAOYSA-N 1 0 244.313 3.685 10 0 BHAERO CCCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000050870525 169293451 /nfs/dbraw/zinc/29/34/51/169293451.db2.gz AUWFRFHNMMXKKY-UHFFFAOYSA-N 1 0 218.275 3.504 10 0 BHAERO CCNc1c2cc(F)ccc2[nH+]c2c1CCCC2 ZINC000050870556 170171294 /nfs/dbraw/zinc/17/12/94/170171294.db2.gz SGZLCZOUHOESDJ-UHFFFAOYSA-N 1 0 244.313 3.685 10 0 BHAERO Cc1cc(N)c2cc(-c3ccccc3)ccc2[nH+]1 ZINC000050870565 178103883 /nfs/dbraw/zinc/10/38/83/178103883.db2.gz NGSYWSLCPYGTIG-UHFFFAOYSA-N 1 0 234.302 3.792 10 0 BHAERO Cc1[nH+]c2ccc(C(C)(C)C)cc2c(N)c1C ZINC000050870643 180089357 /nfs/dbraw/zinc/08/93/57/180089357.db2.gz QNFSDMCNDQJNKL-UHFFFAOYSA-N 1 0 228.339 3.731 10 0 BHAERO CCNc1cc(C)[nH+]c2ccc(OC(C)C)cc12 ZINC000050870658 170172003 /nfs/dbraw/zinc/17/20/03/170172003.db2.gz QPGKTLNNIDTHMV-UHFFFAOYSA-N 1 0 244.338 3.762 10 0 BHAERO CCNc1c2cc(OC)ccc2[nH+]c(C)c1CC ZINC000050870848 170170297 /nfs/dbraw/zinc/17/02/97/170170297.db2.gz ROSGTFFTIMVDTI-UHFFFAOYSA-N 1 0 244.338 3.546 10 0 BHAERO Cc1cccc2c(N)cc(-c3ccccc3)[nH+]c12 ZINC000050870862 179210633 /nfs/dbraw/zinc/21/06/33/179210633.db2.gz AWVDKKSWBFXSNU-UHFFFAOYSA-N 1 0 234.302 3.792 10 0 BHAERO CCNc1c2c([nH+]c3c(C)c(F)ccc13)CCC2 ZINC000050870990 170171066 /nfs/dbraw/zinc/17/10/66/170171066.db2.gz IEHJYJDTQDFBHI-UHFFFAOYSA-N 1 0 244.313 3.603 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(F)cc1F ZINC000050885239 169275873 /nfs/dbraw/zinc/27/58/73/169275873.db2.gz REQMGYVCZJJZTD-QWRGUYRKSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccc(F)cc1F ZINC000050885240 169286395 /nfs/dbraw/zinc/28/63/95/169286395.db2.gz REQMGYVCZJJZTD-WDEREUQCSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(F)cc1F ZINC000050885241 169276334 /nfs/dbraw/zinc/27/63/34/169276334.db2.gz REQMGYVCZJJZTD-MNOVXSKESA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](C)[C@H](C)Cc1ccc(F)cc1F ZINC000050885242 169285789 /nfs/dbraw/zinc/28/57/89/169285789.db2.gz REQMGYVCZJJZTD-GHMZBOCLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(F)cc1F ZINC000050885251 170158686 /nfs/dbraw/zinc/15/86/86/170158686.db2.gz RCSYRVNRWGSHBV-MNOVXSKESA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(F)cc1F ZINC000050885252 170158215 /nfs/dbraw/zinc/15/82/15/170158215.db2.gz RCSYRVNRWGSHBV-GHMZBOCLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(F)cc1F ZINC000050885253 170141244 /nfs/dbraw/zinc/14/12/44/170141244.db2.gz RCSYRVNRWGSHBV-QWRGUYRKSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(F)cc1F ZINC000050885254 170141166 /nfs/dbraw/zinc/14/11/66/170141166.db2.gz RCSYRVNRWGSHBV-WDEREUQCSA-N 1 0 241.325 3.532 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])Cc1ccc(F)cc1F ZINC000050885965 179343287 /nfs/dbraw/zinc/34/32/87/179343287.db2.gz OPMOQDCCBIWNCF-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccc(F)cc1F ZINC000050885966 179325015 /nfs/dbraw/zinc/32/50/15/179325015.db2.gz OPMOQDCCBIWNCF-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO CCC[NH2+][C@@H](CCC)Cc1ccc(F)cc1F ZINC000050886115 169277715 /nfs/dbraw/zinc/27/77/15/169277715.db2.gz NTPKJZIGGFIFRH-ZDUSSCGKSA-N 1 0 241.325 3.676 10 0 BHAERO CCC[NH2+][C@H](CCC)Cc1ccc(F)cc1F ZINC000050886116 169289475 /nfs/dbraw/zinc/28/94/75/169289475.db2.gz NTPKJZIGGFIFRH-CYBMUJFWSA-N 1 0 241.325 3.676 10 0 BHAERO CCCC[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000050886812 345586594 /nfs/dbraw/zinc/58/65/94/345586594.db2.gz OGJNVWFWFRRBEM-JTQLQIEISA-N 1 0 227.298 3.633 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000050887441 345015418 /nfs/dbraw/zinc/01/54/18/345015418.db2.gz AKLRCZYJKZWXNW-ZJUUUORDSA-N 1 0 226.389 3.681 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000050887442 345015132 /nfs/dbraw/zinc/01/51/32/345015132.db2.gz AKLRCZYJKZWXNW-UWVGGRQHSA-N 1 0 226.389 3.681 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000050887443 345015067 /nfs/dbraw/zinc/01/50/67/345015067.db2.gz AKLRCZYJKZWXNW-NXEZZACHSA-N 1 0 226.389 3.681 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000050887444 345015125 /nfs/dbraw/zinc/01/51/25/345015125.db2.gz AKLRCZYJKZWXNW-VHSXEESVSA-N 1 0 226.389 3.681 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000050887902 168949830 /nfs/dbraw/zinc/94/98/30/168949830.db2.gz FCOKUTLKXUDAJM-MLGOLLRUSA-N 1 0 247.382 3.938 10 0 BHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)C1=CCCCCC1 ZINC000050892208 181536887 /nfs/dbraw/zinc/53/68/87/181536887.db2.gz SGPVAQNJLPIBOE-INIZCTEOSA-N 1 0 243.350 3.512 10 0 BHAERO CCCC1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000050893914 132359511 /nfs/dbraw/zinc/35/95/11/132359511.db2.gz UQUCLFBRAKGUHW-CYBMUJFWSA-N 1 0 246.398 3.723 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)s1)C1=CCCC1 ZINC000051171893 385450406 /nfs/dbraw/zinc/45/04/06/385450406.db2.gz AHHVDVOBKPRJNF-SNVBAGLBSA-N 1 0 213.733 3.512 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)s1)C1=CCCC1 ZINC000051171895 385450433 /nfs/dbraw/zinc/45/04/33/385450433.db2.gz AHHVDVOBKPRJNF-JTQLQIEISA-N 1 0 213.733 3.512 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)s1)C1=CCCC1 ZINC000051171897 346976158 /nfs/dbraw/zinc/97/61/58/346976158.db2.gz RLMNMXAHUSZFPI-LLVKDONJSA-N 1 0 227.760 3.772 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)s1)C1=CCCC1 ZINC000051171898 346975680 /nfs/dbraw/zinc/97/56/80/346975680.db2.gz RLMNMXAHUSZFPI-NSHDSACASA-N 1 0 227.760 3.772 10 0 BHAERO [NH3+][C@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000051172301 385445470 /nfs/dbraw/zinc/44/54/70/385445470.db2.gz NFUVULAZMRQQGG-MRVPVSSYSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000051172303 385444603 /nfs/dbraw/zinc/44/46/03/385444603.db2.gz NFUVULAZMRQQGG-QMMMGPOBSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1cccs1)c1ccc(Cl)s1 ZINC000051172311 181557729 /nfs/dbraw/zinc/55/77/29/181557729.db2.gz HMOXHYFXDUFOSA-QMMMGPOBSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@H](Cc1cccs1)c1ccc(Cl)s1 ZINC000051172313 385444862 /nfs/dbraw/zinc/44/48/62/385444862.db2.gz HMOXHYFXDUFOSA-MRVPVSSYSA-N 1 0 243.784 3.706 10 0 BHAERO CC[NH2+]CC(CC)(CC)CN(C)c1ccccc1 ZINC000051209386 170110661 /nfs/dbraw/zinc/11/06/61/170110661.db2.gz ZXUNCZRLIDGGEV-UHFFFAOYSA-N 1 0 248.414 3.539 10 0 BHAERO CC[C@@](C)(C[NH2+]C(C)C)CN(C)c1ccccc1 ZINC000051209475 171166296 /nfs/dbraw/zinc/16/62/96/171166296.db2.gz VNCBIXKXVUAQGY-INIZCTEOSA-N 1 0 248.414 3.537 10 0 BHAERO CCC[NH2+]CC(C)(C)CN(CC)c1ccccc1 ZINC000051213877 169255321 /nfs/dbraw/zinc/25/53/21/169255321.db2.gz WVWZHWGWJRDZNZ-UHFFFAOYSA-N 1 0 248.414 3.539 10 0 BHAERO CCC(CC)(C[NH3+])CN(C)c1cc(C)cc(C)c1 ZINC000051254509 168322678 /nfs/dbraw/zinc/32/26/78/168322678.db2.gz JEHZWHOZUWHUOZ-UHFFFAOYSA-N 1 0 248.414 3.505 10 0 BHAERO CCCC[NH+](CCCC)C[C@](C)(CO)CCC ZINC000051292648 168806709 /nfs/dbraw/zinc/80/67/09/168806709.db2.gz WGNXPAUVSQLAAB-OAHLLOKOSA-N 1 0 243.435 3.687 10 0 BHAERO CCC(CC)C[N@H+](CC)CC(CC)(CC)CO ZINC000051294514 168347922 /nfs/dbraw/zinc/34/79/22/168347922.db2.gz FWYYYCMGDUTMQZ-UHFFFAOYSA-N 1 0 243.435 3.543 10 0 BHAERO CCCC[N@H+](CC(CC)(CC)CO)[C@@H](C)CC ZINC000051296173 168787744 /nfs/dbraw/zinc/78/77/44/168787744.db2.gz PGDYEZDZJVFUSS-AWEZNQCLSA-N 1 0 243.435 3.686 10 0 BHAERO CCC[C@@H](C)COc1ccc([C@H]([NH3+])CC)cc1 ZINC000051297193 169361621 /nfs/dbraw/zinc/36/16/21/169361621.db2.gz MRVIZXMWPHEVEW-IUODEOHRSA-N 1 0 235.371 3.911 10 0 BHAERO CCC[C@@H](C)COc1ccc([C@@H]([NH3+])CC)cc1 ZINC000051297197 169361510 /nfs/dbraw/zinc/36/15/10/169361510.db2.gz MRVIZXMWPHEVEW-DOMZBBRYSA-N 1 0 235.371 3.911 10 0 BHAERO CCC[C@@H](C)COc1ccccc1[C@H]([NH3+])CC ZINC000051297223 169361448 /nfs/dbraw/zinc/36/14/48/169361448.db2.gz SHDDHHCUBZNLDT-TZMCWYRMSA-N 1 0 235.371 3.911 10 0 BHAERO CCC[C@@H](C)COc1cccc(C[NH2+]CC)c1 ZINC000051297350 169361478 /nfs/dbraw/zinc/36/14/78/169361478.db2.gz JIHJMUVUIRGOEV-CYBMUJFWSA-N 1 0 235.371 3.611 10 0 BHAERO CCC[C@@H](C)COc1ccccc1[C@@H](C)[NH2+]C ZINC000051297442 169361249 /nfs/dbraw/zinc/36/12/49/169361249.db2.gz QNPAURKTEDFWKF-CHWSQXEVSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)COc1ccccc1[C@H](C)[NH2+]C ZINC000051297445 169361373 /nfs/dbraw/zinc/36/13/73/169361373.db2.gz QNPAURKTEDFWKF-OLZOCXBDSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000051297530 169361608 /nfs/dbraw/zinc/36/16/08/169361608.db2.gz BITMTVQSAXEFSL-CHWSQXEVSA-N 1 0 235.371 3.830 10 0 BHAERO CCC[C@@H](C)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000051297534 169361376 /nfs/dbraw/zinc/36/13/76/169361376.db2.gz BITMTVQSAXEFSL-OLZOCXBDSA-N 1 0 235.371 3.830 10 0 BHAERO CCC[C@H](C)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000051297535 169483882 /nfs/dbraw/zinc/48/38/82/169483882.db2.gz BITMTVQSAXEFSL-STQMWFEESA-N 1 0 235.371 3.830 10 0 BHAERO CCC[C@@H](C)COc1ccc(C[C@H]([NH3+])CC)cc1 ZINC000051323028 169361406 /nfs/dbraw/zinc/36/14/06/169361406.db2.gz YWXMUDWKYDKJHJ-UKRRQHHQSA-N 1 0 249.398 3.781 10 0 BHAERO CCC[C@H](C)COc1ccc(C[C@H]([NH3+])CC)cc1 ZINC000051323030 169484288 /nfs/dbraw/zinc/48/42/88/169484288.db2.gz YWXMUDWKYDKJHJ-DZGCQCFKSA-N 1 0 249.398 3.781 10 0 BHAERO CCC[C@@H](C)COc1ccc(C[C@@H]([NH3+])CC)cc1 ZINC000051323031 169361722 /nfs/dbraw/zinc/36/17/22/169361722.db2.gz YWXMUDWKYDKJHJ-HIFRSBDPSA-N 1 0 249.398 3.781 10 0 BHAERO CCC[C@@H](C)COc1cccc(C[C@H]([NH3+])CC)c1 ZINC000051323074 169361340 /nfs/dbraw/zinc/36/13/40/169361340.db2.gz GSBYMKIGWZWXQN-UKRRQHHQSA-N 1 0 249.398 3.781 10 0 BHAERO CCC[C@@H](C)COc1cccc(C[C@@H]([NH3+])CC)c1 ZINC000051323078 169361316 /nfs/dbraw/zinc/36/13/16/169361316.db2.gz GSBYMKIGWZWXQN-HIFRSBDPSA-N 1 0 249.398 3.781 10 0 BHAERO CCC(CC)CN(CC)c1cc(C)ccc1C[NH3+] ZINC000051579113 168350549 /nfs/dbraw/zinc/35/05/49/168350549.db2.gz YVTSOJCOEDRALA-UHFFFAOYSA-N 1 0 248.414 3.716 10 0 BHAERO CCOc1ccc(C)cc1[C@@H](CC(C)C)[NH2+]C ZINC000051599497 170540108 /nfs/dbraw/zinc/54/01/08/170540108.db2.gz VIJMSZPINUEANS-CQSZACIVSA-N 1 0 235.371 3.700 10 0 BHAERO CCOc1ccc(C)cc1[C@H](CC(C)C)[NH2+]C ZINC000051599499 170540502 /nfs/dbraw/zinc/54/05/02/170540502.db2.gz VIJMSZPINUEANS-AWEZNQCLSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)C1CCC1 ZINC000051599654 170147493 /nfs/dbraw/zinc/14/74/93/170147493.db2.gz KVIOXNVCOZKIQR-MRXNPFEDSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@H](c1cc(C)ccc1OCC)C1CCC1 ZINC000051599656 170162921 /nfs/dbraw/zinc/16/29/21/170162921.db2.gz KVIOXNVCOZKIQR-INIZCTEOSA-N 1 0 247.382 3.844 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)C(C)C ZINC000051599697 170147578 /nfs/dbraw/zinc/14/75/78/170147578.db2.gz WLSWWNWPDCFUJC-OAHLLOKOSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](c1cc(C)ccc1OCC)C(C)C ZINC000051599699 170163418 /nfs/dbraw/zinc/16/34/18/170163418.db2.gz WLSWWNWPDCFUJC-HNNXBMFYSA-N 1 0 235.371 3.700 10 0 BHAERO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000051668647 179060138 /nfs/dbraw/zinc/06/01/38/179060138.db2.gz WLYIDKQYEGKWSJ-GOEBONIOSA-N 1 0 231.383 3.706 10 0 BHAERO Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000051668649 179060020 /nfs/dbraw/zinc/06/00/20/179060020.db2.gz WLYIDKQYEGKWSJ-HOCLYGCPSA-N 1 0 231.383 3.706 10 0 BHAERO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000051668651 179059366 /nfs/dbraw/zinc/05/93/66/179059366.db2.gz WLYIDKQYEGKWSJ-GDBMZVCRSA-N 1 0 231.383 3.706 10 0 BHAERO Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000051668653 179060653 /nfs/dbraw/zinc/06/06/53/179060653.db2.gz WLYIDKQYEGKWSJ-ZBFHGGJFSA-N 1 0 231.383 3.706 10 0 BHAERO CCc1ccc(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000051721709 398056991 /nfs/dbraw/zinc/05/69/91/398056991.db2.gz DGMAGRGBQHGZCP-INIZCTEOSA-N 1 0 241.334 3.619 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000051721848 398057288 /nfs/dbraw/zinc/05/72/88/398057288.db2.gz VNLFRMMLUSHKAP-JTQLQIEISA-N 1 0 235.352 3.754 10 0 BHAERO CCc1ccc(C[NH2+][C@H](C)c2cccs2)o1 ZINC000051721850 398057244 /nfs/dbraw/zinc/05/72/44/398057244.db2.gz VNLFRMMLUSHKAP-SNVBAGLBSA-N 1 0 235.352 3.754 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)o1)c1ccc(C)s1 ZINC000051727600 170147573 /nfs/dbraw/zinc/14/75/73/170147573.db2.gz LYFFLTFTXKBRKR-AWEZNQCLSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(C)s1 ZINC000051727602 170163912 /nfs/dbraw/zinc/16/39/12/170163912.db2.gz LYFFLTFTXKBRKR-CQSZACIVSA-N 1 0 249.379 3.911 10 0 BHAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(CC)o1 ZINC000051727698 170162691 /nfs/dbraw/zinc/16/26/91/170162691.db2.gz GBIMLWQGFAYSIK-OAHLLOKOSA-N 1 0 243.350 3.735 10 0 BHAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(CC)o1 ZINC000051727699 170146752 /nfs/dbraw/zinc/14/67/52/170146752.db2.gz GBIMLWQGFAYSIK-HNNXBMFYSA-N 1 0 243.350 3.735 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)o1)c1ccc(C)cc1 ZINC000051727724 170163358 /nfs/dbraw/zinc/16/33/58/170163358.db2.gz VGFIGFWKXWHXCU-MRXNPFEDSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(C)cc1 ZINC000051727726 170147352 /nfs/dbraw/zinc/14/73/52/170147352.db2.gz VGFIGFWKXWHXCU-INIZCTEOSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)o1)c1ccc(F)cc1 ZINC000051728009 170163874 /nfs/dbraw/zinc/16/38/74/170163874.db2.gz LGXXREDLZRICFB-OAHLLOKOSA-N 1 0 247.313 3.680 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(F)cc1 ZINC000051728011 170147132 /nfs/dbraw/zinc/14/71/32/170147132.db2.gz LGXXREDLZRICFB-HNNXBMFYSA-N 1 0 247.313 3.680 10 0 BHAERO CC[NH2+][C@@H](c1ccc(CC)o1)c1cccc(C)c1 ZINC000051728032 170164332 /nfs/dbraw/zinc/16/43/32/170164332.db2.gz MQEMENQQZLZPJT-MRXNPFEDSA-N 1 0 243.350 3.849 10 0 BHAERO CC[NH2+][C@H](c1ccc(CC)o1)c1cccc(C)c1 ZINC000051728034 170148402 /nfs/dbraw/zinc/14/84/02/170148402.db2.gz MQEMENQQZLZPJT-INIZCTEOSA-N 1 0 243.350 3.849 10 0 BHAERO CC1([NH2+]Cc2c[nH]c3ccccc23)CCCC1 ZINC000051754326 168062952 /nfs/dbraw/zinc/06/29/52/168062952.db2.gz UOKMSKXUFKKKFG-UHFFFAOYSA-N 1 0 228.339 3.590 10 0 BHAERO c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CC=CCC1 ZINC000051754405 187954810 /nfs/dbraw/zinc/95/48/10/187954810.db2.gz JSBYOUOHXXOBMK-ZDUSSCGKSA-N 1 0 240.350 3.614 10 0 BHAERO c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000051754407 187271663 /nfs/dbraw/zinc/27/16/63/187271663.db2.gz JSBYOUOHXXOBMK-CYBMUJFWSA-N 1 0 240.350 3.614 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc2c(c1)CC(C)(C)O2 ZINC000051754669 169008635 /nfs/dbraw/zinc/00/86/35/169008635.db2.gz ATSVCIAMGJETNM-ZDUSSCGKSA-N 1 0 233.355 3.590 10 0 BHAERO CCCC[C@H]([NH2+]C)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755046 169011116 /nfs/dbraw/zinc/01/11/16/169011116.db2.gz QFTWTWVNUDKLBX-AWEZNQCLSA-N 1 0 247.382 3.851 10 0 BHAERO CCCOc1ccc2[nH+]c(CCC)cc(N)c2c1 ZINC000051786964 169324392 /nfs/dbraw/zinc/32/43/92/169324392.db2.gz YVQXEVVEUPMIAL-UHFFFAOYSA-N 1 0 244.338 3.558 10 0 BHAERO CCCOc1ccc2[nH+]c(C)cc(NCC)c2c1 ZINC000051786977 169324272 /nfs/dbraw/zinc/32/42/72/169324272.db2.gz SKVKVWAPQSGXPB-UHFFFAOYSA-N 1 0 244.338 3.764 10 0 BHAERO Cc1cc([C@@H](C)[NH2+]Cc2ccc[nH]2)c(C)s1 ZINC000051788957 178229747 /nfs/dbraw/zinc/22/97/47/178229747.db2.gz DEPFWQAAAGZEQB-SNVBAGLBSA-N 1 0 234.368 3.544 10 0 BHAERO Cc1cc([C@H](C)[NH2+]Cc2ccc[nH]2)c(C)s1 ZINC000051788958 178252615 /nfs/dbraw/zinc/25/26/15/178252615.db2.gz DEPFWQAAAGZEQB-JTQLQIEISA-N 1 0 234.368 3.544 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000051789860 177082835 /nfs/dbraw/zinc/08/28/35/177082835.db2.gz IUGNCHCTOPEYOD-UVRXNYFOSA-N 1 0 229.367 3.868 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000051789863 177089010 /nfs/dbraw/zinc/08/90/10/177089010.db2.gz IUGNCHCTOPEYOD-MWHIQHKOSA-N 1 0 229.367 3.868 10 0 BHAERO CCC[NH2+]CCOCc1ccc(C(C)(C)C)cc1 ZINC000051844873 169260402 /nfs/dbraw/zinc/26/04/02/169260402.db2.gz BAZLFVGPFLEPDJ-UHFFFAOYSA-N 1 0 249.398 3.500 10 0 BHAERO c1ccc2c(C[NH2+]C3CCCCC3)ccnc2c1 ZINC000051848390 322852163 /nfs/dbraw/zinc/85/21/63/322852163.db2.gz CIVJWYVWCMKXLL-UHFFFAOYSA-N 1 0 240.350 3.657 10 0 BHAERO CC(C)(C)c1ccc(SC[C@@H]2CC[NH2+]C2)cc1 ZINC000051890978 187436564 /nfs/dbraw/zinc/43/65/64/187436564.db2.gz LNLDNZVCISAWRO-GFCCVEGCSA-N 1 0 249.423 3.686 10 0 BHAERO Cc1ccc(SCC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000051920278 187271588 /nfs/dbraw/zinc/27/15/88/187271588.db2.gz PYGKRQJCPZPHPT-AWEZNQCLSA-N 1 0 249.423 3.785 10 0 BHAERO Cc1ccc(SCC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000051920280 187781479 /nfs/dbraw/zinc/78/14/79/187781479.db2.gz PYGKRQJCPZPHPT-CQSZACIVSA-N 1 0 249.423 3.785 10 0 BHAERO C[C@H]1[NH2+]CC[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000051954032 187271518 /nfs/dbraw/zinc/27/15/18/187271518.db2.gz MXFFFOSYTJJVMM-DYVFJYSZSA-N 1 0 237.346 3.819 10 0 BHAERO CC[C@@H]1[NH2+]CC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000051954498 171149249 /nfs/dbraw/zinc/14/92/49/171149249.db2.gz QGPBWANFXBNKKR-RYUDHWBXSA-N 1 0 243.272 3.561 10 0 BHAERO CC[C@H]1[NH2+]CC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000051954500 171682368 /nfs/dbraw/zinc/68/23/68/171682368.db2.gz QGPBWANFXBNKKR-VXGBXAGGSA-N 1 0 243.272 3.561 10 0 BHAERO CC[C@@H]1[NH2+]CC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000051954502 171147675 /nfs/dbraw/zinc/14/76/75/171147675.db2.gz QGPBWANFXBNKKR-NEPJUHHUSA-N 1 0 243.272 3.561 10 0 BHAERO CC(C)(C)c1ccc([C@H]2CC[NH2+]C2(C)C)cc1 ZINC000051954839 188299655 /nfs/dbraw/zinc/29/96/55/188299655.db2.gz GQNPGSUICCHPDZ-CQSZACIVSA-N 1 0 231.383 3.840 10 0 BHAERO CCC[NH2+]CC(C)(C)O[C@@H](C)c1ccccc1 ZINC000051957453 169255932 /nfs/dbraw/zinc/25/59/32/169255932.db2.gz PDAPMADCGOHUJB-ZDUSSCGKSA-N 1 0 235.371 3.542 10 0 BHAERO CCC[NH2+]CC(C)(C)O[C@H](C)c1ccccc1 ZINC000051957456 169255251 /nfs/dbraw/zinc/25/52/51/169255251.db2.gz PDAPMADCGOHUJB-CYBMUJFWSA-N 1 0 235.371 3.542 10 0 BHAERO C[NH2+]CC(C)(C)Oc1ccc(C)cc1C(C)(C)C ZINC000051957582 173336611 /nfs/dbraw/zinc/33/66/11/173336611.db2.gz XNCWTBPNPPWSBK-UHFFFAOYSA-N 1 0 249.398 3.669 10 0 BHAERO CC[NH2+]CC(C)(C)Oc1ccccc1C(C)(C)C ZINC000051957595 170110886 /nfs/dbraw/zinc/11/08/86/170110886.db2.gz UKKBTEZICHPMBM-UHFFFAOYSA-N 1 0 249.398 3.751 10 0 BHAERO CC[NH2+]CC(C)(C)Oc1ccc(C(C)C)cc1 ZINC000051957607 170111239 /nfs/dbraw/zinc/11/12/39/170111239.db2.gz RUMSTDGTINHXEF-UHFFFAOYSA-N 1 0 235.371 3.577 10 0 BHAERO CC[NH2+]CC(C)(C)Oc1ccc2ccccc2c1 ZINC000051957754 170111209 /nfs/dbraw/zinc/11/12/09/170111209.db2.gz OJEVTZXIIIAURA-UHFFFAOYSA-N 1 0 243.350 3.607 10 0 BHAERO CCC[NH2+]CC(C)(C)Oc1ccccc1C(C)C ZINC000051957765 169257666 /nfs/dbraw/zinc/25/76/66/169257666.db2.gz MGJJIHUYOWWCOT-UHFFFAOYSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+]CC(C)(C)Oc1cc(C)cc(C)c1C ZINC000051957955 169255834 /nfs/dbraw/zinc/25/58/34/169255834.db2.gz UWUMHONRYSTVBB-UHFFFAOYSA-N 1 0 249.398 3.769 10 0 BHAERO CC[NH2+]CC(C)(C)Oc1cc(C)cc(C(C)C)c1 ZINC000051958002 170111302 /nfs/dbraw/zinc/11/13/02/170111302.db2.gz ZTFLWORPWGASMY-UHFFFAOYSA-N 1 0 249.398 3.885 10 0 BHAERO CC[NH2+]CC(C)(C)Oc1cc(C(C)C)ccc1C ZINC000051958074 170110616 /nfs/dbraw/zinc/11/06/16/170110616.db2.gz LPJOSMNINQQPFG-UHFFFAOYSA-N 1 0 249.398 3.885 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)O[C@@H]1CCCC[C@@H]1C ZINC000051958416 169264056 /nfs/dbraw/zinc/26/40/56/169264056.db2.gz ZEIAEUGFDAHBPF-RRFJBIMHSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)O[C@@H]1CCCC[C@@H]1C ZINC000051958417 169264890 /nfs/dbraw/zinc/26/48/90/169264890.db2.gz ZEIAEUGFDAHBPF-ZNMIVQPWSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)O[C@H]1CCCC[C@@H]1C ZINC000051958419 169264103 /nfs/dbraw/zinc/26/41/03/169264103.db2.gz ZEIAEUGFDAHBPF-SOUVJXGZSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)O[C@H]1CCCC[C@@H]1C ZINC000051958421 169264798 /nfs/dbraw/zinc/26/47/98/169264798.db2.gz ZEIAEUGFDAHBPF-KKUMJFAQSA-N 1 0 241.419 3.750 10 0 BHAERO CC[C@@](C)(C[NH3+])Oc1cc(C)ccc1C(C)(C)C ZINC000051958665 171166110 /nfs/dbraw/zinc/16/61/10/171166110.db2.gz DYTYJMWVCJJPIK-INIZCTEOSA-N 1 0 249.398 3.799 10 0 BHAERO CC[C@](C)(C[NH3+])Oc1cc(C)ccc1C(C)(C)C ZINC000051958667 171692561 /nfs/dbraw/zinc/69/25/61/171692561.db2.gz DYTYJMWVCJJPIK-MRXNPFEDSA-N 1 0 249.398 3.799 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)Oc1ccc(C)cc1C ZINC000051958750 169263249 /nfs/dbraw/zinc/26/32/49/169263249.db2.gz ZGFLMFVLQSOBJD-MRXNPFEDSA-N 1 0 249.398 3.851 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)Oc1ccc(C)cc1C ZINC000051958752 169264866 /nfs/dbraw/zinc/26/48/66/169264866.db2.gz ZGFLMFVLQSOBJD-INIZCTEOSA-N 1 0 249.398 3.851 10 0 BHAERO CC[NH2+]C[C@](C)(CC)Oc1cccc(C(C)C)c1 ZINC000051958768 170123721 /nfs/dbraw/zinc/12/37/21/170123721.db2.gz IYIMXLPEVQEORP-INIZCTEOSA-N 1 0 249.398 3.967 10 0 BHAERO CC[NH2+]C[C@@](C)(CC)Oc1cccc(C(C)C)c1 ZINC000051958769 170121286 /nfs/dbraw/zinc/12/12/86/170121286.db2.gz IYIMXLPEVQEORP-MRXNPFEDSA-N 1 0 249.398 3.967 10 0 BHAERO CC[C@@](C)(C[NH3+])Oc1cc(C)ccc1C(C)C ZINC000051958832 171167511 /nfs/dbraw/zinc/16/75/11/171167511.db2.gz VUNHWHXNHQDOPH-HNNXBMFYSA-N 1 0 235.371 3.625 10 0 BHAERO CC[C@@](C)(C[NH2+]C)Oc1ccc(C(C)C)c(C)c1 ZINC000051958840 171167649 /nfs/dbraw/zinc/16/76/49/171167649.db2.gz HCXSZBSBQQFHRD-INIZCTEOSA-N 1 0 249.398 3.885 10 0 BHAERO CC[C@](C)(C[NH2+]C)Oc1ccc(C(C)C)c(C)c1 ZINC000051958842 171693270 /nfs/dbraw/zinc/69/32/70/171693270.db2.gz HCXSZBSBQQFHRD-MRXNPFEDSA-N 1 0 249.398 3.885 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)Oc1cc(C)ccc1C ZINC000051958909 169263220 /nfs/dbraw/zinc/26/32/20/169263220.db2.gz KNJYRBKPMRJCOV-MRXNPFEDSA-N 1 0 249.398 3.851 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)Oc1cc(C)ccc1C ZINC000051958912 169264569 /nfs/dbraw/zinc/26/45/69/169264569.db2.gz KNJYRBKPMRJCOV-INIZCTEOSA-N 1 0 249.398 3.851 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)Oc1cc(C)cc(C)c1 ZINC000051958937 169263160 /nfs/dbraw/zinc/26/31/60/169263160.db2.gz KZIUEFPAEFOIBB-MRXNPFEDSA-N 1 0 249.398 3.851 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)Oc1cc(C)cc(C)c1 ZINC000051958939 169264453 /nfs/dbraw/zinc/26/44/53/169264453.db2.gz KZIUEFPAEFOIBB-INIZCTEOSA-N 1 0 249.398 3.851 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@@](C)(CC)C[NH3+] ZINC000051959099 170806285 /nfs/dbraw/zinc/80/62/85/170806285.db2.gz LEBAURNVEDGTGW-DOMZBBRYSA-N 1 0 235.371 3.706 10 0 BHAERO CC[C@H](C)c1ccccc1O[C@@](C)(CC)C[NH3+] ZINC000051959100 171413328 /nfs/dbraw/zinc/41/33/28/171413328.db2.gz LEBAURNVEDGTGW-WFASDCNBSA-N 1 0 235.371 3.706 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@](C)(CC)C[NH3+] ZINC000051959102 170806154 /nfs/dbraw/zinc/80/61/54/170806154.db2.gz LEBAURNVEDGTGW-IUODEOHRSA-N 1 0 235.371 3.706 10 0 BHAERO CCCC[C@@H](CC)CO[C@@](C)(CC)C[NH2+]CC ZINC000051959181 168959357 /nfs/dbraw/zinc/95/93/57/168959357.db2.gz BBZUIBFVFLTNDE-CABCVRRESA-N 1 0 243.435 3.998 10 0 BHAERO CC[NH2+]C[C@](C)(CC)Oc1cc(C)cc(C)c1C ZINC000051959431 170123837 /nfs/dbraw/zinc/12/38/37/170123837.db2.gz RYIUIVYOTUEWKA-INIZCTEOSA-N 1 0 249.398 3.769 10 0 BHAERO CC[NH2+]C[C@@](C)(CC)Oc1cc(C)cc(C)c1C ZINC000051959432 170120637 /nfs/dbraw/zinc/12/06/37/170120637.db2.gz RYIUIVYOTUEWKA-MRXNPFEDSA-N 1 0 249.398 3.769 10 0 BHAERO CC[C@@](C)(C[NH2+]C)Oc1cc(C)cc(C(C)C)c1 ZINC000051959509 171166927 /nfs/dbraw/zinc/16/69/27/171166927.db2.gz AUHIMDZLECKVMX-INIZCTEOSA-N 1 0 249.398 3.885 10 0 BHAERO CC[C@@](C)(C[NH2+]C)Oc1cccc(C(C)(C)C)c1 ZINC000051959560 171167241 /nfs/dbraw/zinc/16/72/41/171167241.db2.gz NQISPONCVSQXQJ-INIZCTEOSA-N 1 0 249.398 3.751 10 0 BHAERO Cc1ccccc1CC[C@H]([NH3+])Cc1ccsc1 ZINC000051985498 179267445 /nfs/dbraw/zinc/26/74/45/179267445.db2.gz RBSNVHCXIWPAOL-HNNXBMFYSA-N 1 0 245.391 3.559 10 0 BHAERO Cc1ccccc1CC[C@@H]([NH3+])Cc1ccsc1 ZINC000051985500 179267215 /nfs/dbraw/zinc/26/72/15/179267215.db2.gz RBSNVHCXIWPAOL-OAHLLOKOSA-N 1 0 245.391 3.559 10 0 BHAERO [NH2+]=C1CCCCN1Cc1cccc2ccccc21 ZINC000052062266 181206956 /nfs/dbraw/zinc/20/69/56/181206956.db2.gz BKZDIFHDNJLBRX-UHFFFAOYSA-N 1 0 238.334 3.803 10 0 BHAERO [NH3+]Cc1oc2ccc(F)cc2c1-c1ccccc1 ZINC000052068865 181509175 /nfs/dbraw/zinc/50/91/75/181509175.db2.gz PGIQGDOCRJWHDW-UHFFFAOYSA-N 1 0 241.265 3.698 10 0 BHAERO CCC(C)(C)c1ccc2oc(C[NH3+])c(C)c2c1 ZINC000052068895 168305887 /nfs/dbraw/zinc/30/58/87/168305887.db2.gz WWMPZIVYLYVYFV-UHFFFAOYSA-N 1 0 231.339 3.888 10 0 BHAERO CC[C@@H]1[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000052095426 171150794 /nfs/dbraw/zinc/15/07/94/171150794.db2.gz KUWKEOHHGSOBMB-NSHDSACASA-N 1 0 230.138 3.590 10 0 BHAERO CC[C@@H]1[NH2+]CCc2c(Cl)c(Cl)ccc21 ZINC000052095438 171150031 /nfs/dbraw/zinc/15/00/31/171150031.db2.gz OJJCQVDZSDULRU-JTQLQIEISA-N 1 0 230.138 3.590 10 0 BHAERO CC[C@@H]1[NH2+]CCc2cc(Cl)cc(Cl)c21 ZINC000052095462 171150800 /nfs/dbraw/zinc/15/08/00/171150800.db2.gz SFAZJMDENXQMJD-JTQLQIEISA-N 1 0 230.138 3.590 10 0 BHAERO CCC[C@@H]1[NH2+]CCc2c3ccccc3ccc21 ZINC000052095504 169444102 /nfs/dbraw/zinc/44/41/02/169444102.db2.gz BYRMWCBESVJRJV-INIZCTEOSA-N 1 0 225.335 3.827 10 0 BHAERO CC(C)[C@@H]1[NH2+]CCc2c3ccccc3ccc21 ZINC000052095570 187609979 /nfs/dbraw/zinc/60/99/79/187609979.db2.gz HFQKVIGOHWZXDO-INIZCTEOSA-N 1 0 225.335 3.683 10 0 BHAERO CC(C)[C@@H]1[NH2+]CCc2c(Cl)c(Cl)ccc21 ZINC000052095576 188156741 /nfs/dbraw/zinc/15/67/41/188156741.db2.gz DUDNNWNIQHJCOT-LBPRGKRZSA-N 1 0 244.165 3.836 10 0 BHAERO CC(C)[C@@H]1[NH2+]CCc2cc(Cl)cc(Cl)c21 ZINC000052095600 188156637 /nfs/dbraw/zinc/15/66/37/188156637.db2.gz RYAHIRMWQJDEEF-LBPRGKRZSA-N 1 0 244.165 3.836 10 0 BHAERO Cc1ccc2c(c1C)CC[NH2+][C@@H]2C(C)(C)C ZINC000052095667 178961566 /nfs/dbraw/zinc/96/15/66/178961566.db2.gz SHJNRWHHMDUIBA-AWEZNQCLSA-N 1 0 217.356 3.536 10 0 BHAERO Cc1cc(C)c2c(c1)CC[NH2+][C@@H]2C(C)(C)C ZINC000052095669 177880706 /nfs/dbraw/zinc/88/07/06/177880706.db2.gz FNMYGCWLVZTUQT-AWEZNQCLSA-N 1 0 217.356 3.536 10 0 BHAERO CC(C)Oc1ccc2c(c1)[C@H](C(C)(C)C)[NH2+]CC2 ZINC000052095673 167302340 /nfs/dbraw/zinc/30/23/40/167302340.db2.gz MIVZUNBYBKKHQI-OAHLLOKOSA-N 1 0 247.382 3.707 10 0 BHAERO CC(C)Oc1ccc2c(c1)[C@@H](C(C)(C)C)[NH2+]CC2 ZINC000052095674 167303115 /nfs/dbraw/zinc/30/31/15/167303115.db2.gz MIVZUNBYBKKHQI-HNNXBMFYSA-N 1 0 247.382 3.707 10 0 BHAERO CC(C)(C)[C@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000052095685 188157248 /nfs/dbraw/zinc/15/72/48/188157248.db2.gz BRLXNYHQBBIJEE-LBPRGKRZSA-N 1 0 223.747 3.573 10 0 BHAERO CC(C)(C)[C@@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000052095686 187639426 /nfs/dbraw/zinc/63/94/26/187639426.db2.gz BRLXNYHQBBIJEE-GFCCVEGCSA-N 1 0 223.747 3.573 10 0 BHAERO CC(C)(C)[C@@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000052095688 187299769 /nfs/dbraw/zinc/29/97/69/187299769.db2.gz NPHCTPKJKGMMFQ-GFCCVEGCSA-N 1 0 223.747 3.573 10 0 BHAERO CC(C)C[C@H]1[NH2+]CCc2ccc(OC(C)C)cc21 ZINC000052095729 188299808 /nfs/dbraw/zinc/29/98/08/188299808.db2.gz UWQDPUQFICITJK-MRXNPFEDSA-N 1 0 247.382 3.707 10 0 BHAERO C[C@@H]1CCCC[C@@H]1n1c(N)[nH+]c2ccc(F)cc21 ZINC000052122816 176083565 /nfs/dbraw/zinc/08/35/65/176083565.db2.gz OWDOCDLXJNCKEY-SKDRFNHKSA-N 1 0 247.317 3.509 10 0 BHAERO C[C@H]1CCCC[C@@H]1n1c(N)[nH+]c2ccc(F)cc21 ZINC000052122817 177084312 /nfs/dbraw/zinc/08/43/12/177084312.db2.gz OWDOCDLXJNCKEY-CABZTGNLSA-N 1 0 247.317 3.509 10 0 BHAERO C[C@@H]1CCCC[C@H]1n1c(N)[nH+]c2ccc(F)cc21 ZINC000052122818 176089971 /nfs/dbraw/zinc/08/99/71/176089971.db2.gz OWDOCDLXJNCKEY-BXKDBHETSA-N 1 0 247.317 3.509 10 0 BHAERO C[C@H]1CCCC[C@H]1n1c(N)[nH+]c2ccc(F)cc21 ZINC000052122819 177090402 /nfs/dbraw/zinc/09/04/02/177090402.db2.gz OWDOCDLXJNCKEY-JOYOIKCWSA-N 1 0 247.317 3.509 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000052127006 179105519 /nfs/dbraw/zinc/10/55/19/179105519.db2.gz KVBWMAFNBMNGQE-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000052127007 179104807 /nfs/dbraw/zinc/10/48/07/179104807.db2.gz KVBWMAFNBMNGQE-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000052127036 179105734 /nfs/dbraw/zinc/10/57/34/179105734.db2.gz VQYDZNYMBRRBDQ-KRWDZBQOSA-N 1 0 239.362 3.854 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000052127037 179105020 /nfs/dbraw/zinc/10/50/20/179105020.db2.gz VQYDZNYMBRRBDQ-QGZVFWFLSA-N 1 0 239.362 3.854 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(C)c1)CC(C)(C)C ZINC000052127455 170146502 /nfs/dbraw/zinc/14/65/02/170146502.db2.gz YPEQZEDBOVXXLD-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(C)c1)CC(C)(C)C ZINC000052127456 170162350 /nfs/dbraw/zinc/16/23/50/170162350.db2.gz YPEQZEDBOVXXLD-OAHLLOKOSA-N 1 0 233.399 3.952 10 0 BHAERO Cc1cc([C@@H]([NH3+])Cc2cccc(C)c2)c(C)s1 ZINC000052127800 179106194 /nfs/dbraw/zinc/10/61/94/179106194.db2.gz LDCYVMWTGUKFBE-HNNXBMFYSA-N 1 0 245.391 3.916 10 0 BHAERO Cc1cc([C@H]([NH3+])Cc2cccc(C)c2)c(C)s1 ZINC000052127801 179104160 /nfs/dbraw/zinc/10/41/60/179104160.db2.gz LDCYVMWTGUKFBE-OAHLLOKOSA-N 1 0 245.391 3.916 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])C2=CCCCCC2)c1 ZINC000052127930 179105370 /nfs/dbraw/zinc/10/53/70/179105370.db2.gz VYGWEBDURSVWRD-INIZCTEOSA-N 1 0 229.367 3.755 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2cc(F)ccc2C)c1 ZINC000052138978 179105468 /nfs/dbraw/zinc/10/54/68/179105468.db2.gz DOIFFCNDGNLLFC-INIZCTEOSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2cc(F)ccc2C)c1 ZINC000052138980 179104778 /nfs/dbraw/zinc/10/47/78/179104778.db2.gz DOIFFCNDGNLLFC-MRXNPFEDSA-N 1 0 243.325 3.685 10 0 BHAERO Cc1ccc(F)cc1[C@H]([NH3+])CCc1ccccc1 ZINC000052139005 178691884 /nfs/dbraw/zinc/69/18/84/178691884.db2.gz RZXQWULNIGINTH-MRXNPFEDSA-N 1 0 243.325 3.767 10 0 BHAERO CC[NH2+][C@@H](c1cccs1)c1cc(F)ccc1C ZINC000052139667 170148433 /nfs/dbraw/zinc/14/84/33/170148433.db2.gz WKLKJGOJHMUXPG-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1cccs1)c1cc(F)ccc1C ZINC000052139669 170165403 /nfs/dbraw/zinc/16/54/03/170165403.db2.gz WKLKJGOJHMUXPG-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])OCC2CCCCC2)c1 ZINC000052147179 179185565 /nfs/dbraw/zinc/18/55/65/179185565.db2.gz AKCBITZCHFLIGH-MRXNPFEDSA-N 1 0 247.382 3.592 10 0 BHAERO Cc1cccc([C@H](C[NH3+])OCC2CCCCC2)c1 ZINC000052147183 179199004 /nfs/dbraw/zinc/19/90/04/179199004.db2.gz AKCBITZCHFLIGH-INIZCTEOSA-N 1 0 247.382 3.592 10 0 BHAERO Cc1ccccc1[C@H](C[NH3+])OCC1CCCCC1 ZINC000052148086 179341939 /nfs/dbraw/zinc/34/19/39/179341939.db2.gz ADTLUHUMXSKOSS-INIZCTEOSA-N 1 0 247.382 3.592 10 0 BHAERO CC(C)[NH2+]CC1(OC2CCC2)CCC(C)CC1 ZINC000052148120 168155356 /nfs/dbraw/zinc/15/53/56/168155356.db2.gz IQYVWJJFIMEVGL-UHFFFAOYSA-N 1 0 239.403 3.502 10 0 BHAERO CCC[NH2+]C[C@H](OC1CCC1)c1ccc(C)cc1 ZINC000052148250 169264487 /nfs/dbraw/zinc/26/44/87/169264487.db2.gz MWLQICAFIBCZRG-INIZCTEOSA-N 1 0 247.382 3.605 10 0 BHAERO CCC[NH2+]C[C@@H](OC1CCC1)c1ccc(C)cc1 ZINC000052148254 169262453 /nfs/dbraw/zinc/26/24/53/169262453.db2.gz MWLQICAFIBCZRG-MRXNPFEDSA-N 1 0 247.382 3.605 10 0 BHAERO Cc1cccc([C@@H](C[NH2+]C(C)C)OC2CCC2)c1 ZINC000052148366 179184656 /nfs/dbraw/zinc/18/46/56/179184656.db2.gz CWNYUQRTYIXUPY-MRXNPFEDSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1cccc([C@H](C[NH2+]C(C)C)OC2CCC2)c1 ZINC000052148368 179200064 /nfs/dbraw/zinc/20/00/64/179200064.db2.gz CWNYUQRTYIXUPY-INIZCTEOSA-N 1 0 247.382 3.603 10 0 BHAERO CCC[NH2+]C[C@]1(OC2CCC2)CCC[C@H](C)C1 ZINC000052148667 169264811 /nfs/dbraw/zinc/26/48/11/169264811.db2.gz GNTSRZXBWJXFAG-ZFWWWQNUSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+]C[C@@]1(OC2CCC2)CCC[C@H](C)C1 ZINC000052148670 169263779 /nfs/dbraw/zinc/26/37/79/169263779.db2.gz GNTSRZXBWJXFAG-DZGCQCFKSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+]C[C@]1(OC2CCC2)CCC[C@@H](C)C1 ZINC000052148673 169264586 /nfs/dbraw/zinc/26/45/86/169264586.db2.gz GNTSRZXBWJXFAG-HIFRSBDPSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+]C[C@@]1(OC2CCC2)CCC[C@@H](C)C1 ZINC000052148675 169263449 /nfs/dbraw/zinc/26/34/49/169263449.db2.gz GNTSRZXBWJXFAG-UKRRQHHQSA-N 1 0 239.403 3.504 10 0 BHAERO CC[NH2+]CC1(OCC2CCCCC2)CCCC1 ZINC000052150128 170110833 /nfs/dbraw/zinc/11/08/33/170110833.db2.gz CJBMSIXWJBDAPY-UHFFFAOYSA-N 1 0 239.403 3.506 10 0 BHAERO CCC[C@H]([NH2+]C)[C@@H](CC)OCC1CCCCC1 ZINC000052151633 169510040 /nfs/dbraw/zinc/51/00/40/169510040.db2.gz ZCDYNXFEOKWRKB-LSDHHAIUSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[C@@H]([NH2+]C)[C@H](CC)OCC1CCCCC1 ZINC000052151641 169399888 /nfs/dbraw/zinc/39/98/88/169399888.db2.gz ZCDYNXFEOKWRKB-CABCVRRESA-N 1 0 241.419 3.750 10 0 BHAERO CC[NH2+][C@@H](COCC1CCCCC1)C(C)(C)C ZINC000052151768 170146525 /nfs/dbraw/zinc/14/65/25/170146525.db2.gz GDSODQTZCCLRBW-AWEZNQCLSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+][C@H](COCC1CCCCC1)C(C)(C)C ZINC000052151771 170162609 /nfs/dbraw/zinc/16/26/09/170162609.db2.gz GDSODQTZCCLRBW-CQSZACIVSA-N 1 0 241.419 3.608 10 0 BHAERO C[C@H](OCC1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000052152355 177021080 /nfs/dbraw/zinc/02/10/80/177021080.db2.gz SMDXUBUXOKYNAB-BBRMVZONSA-N 1 0 247.382 3.672 10 0 BHAERO C[C@@H](OCC1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000052152358 176002707 /nfs/dbraw/zinc/00/27/07/176002707.db2.gz SMDXUBUXOKYNAB-CJNGLKHVSA-N 1 0 247.382 3.672 10 0 BHAERO C[C@H](OCC1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000052152360 177020876 /nfs/dbraw/zinc/02/08/76/177020876.db2.gz SMDXUBUXOKYNAB-XJKSGUPXSA-N 1 0 247.382 3.672 10 0 BHAERO C[C@@H](OCC1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000052152363 176002202 /nfs/dbraw/zinc/00/22/02/176002202.db2.gz SMDXUBUXOKYNAB-CZUORRHYSA-N 1 0 247.382 3.672 10 0 BHAERO Cc1ccc(C)c(NCC[C@H]2CCCC[N@H+]2C)c1 ZINC000052205396 178484366 /nfs/dbraw/zinc/48/43/66/178484366.db2.gz NMOQCYWGKWPAKE-OAHLLOKOSA-N 1 0 246.398 3.590 10 0 BHAERO Clc1ccc(C[NH2+]C2CCC2)c(Cl)c1 ZINC000052206924 384039642 /nfs/dbraw/zinc/03/96/42/384039642.db2.gz ZJDKCFRBTMRVKY-UHFFFAOYSA-N 1 0 230.138 3.636 10 0 BHAERO CCC[NH2+][C@@H](CCOc1ccccc1)C(C)(C)C ZINC000052231836 169277964 /nfs/dbraw/zinc/27/79/64/169277964.db2.gz KPCWWBHPMZVTCZ-HNNXBMFYSA-N 1 0 249.398 3.870 10 0 BHAERO CCC[NH2+][C@H](CCOc1ccccc1)C(C)(C)C ZINC000052231839 169289158 /nfs/dbraw/zinc/28/91/58/169289158.db2.gz KPCWWBHPMZVTCZ-OAHLLOKOSA-N 1 0 249.398 3.870 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000052232201 170146452 /nfs/dbraw/zinc/14/64/52/170146452.db2.gz XGOJZMDZIRHNNY-ZDUSSCGKSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000052232204 170162508 /nfs/dbraw/zinc/16/25/08/170162508.db2.gz XGOJZMDZIRHNNY-CYBMUJFWSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000052268855 134698856 /nfs/dbraw/zinc/69/88/56/134698856.db2.gz FYAARXDERLIPSO-FPMFFAJLSA-N 1 0 203.329 3.526 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000052268860 346302194 /nfs/dbraw/zinc/30/21/94/346302194.db2.gz FYAARXDERLIPSO-UBHSHLNASA-N 1 0 203.329 3.526 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000052268876 384710439 /nfs/dbraw/zinc/71/04/39/384710439.db2.gz CSFWKNFDYMAOJJ-KKOFPSKJSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000052268879 177350250 /nfs/dbraw/zinc/35/02/50/177350250.db2.gz CSFWKNFDYMAOJJ-MFNGEMCRSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000052268882 384708695 /nfs/dbraw/zinc/70/86/95/384708695.db2.gz CSFWKNFDYMAOJJ-TWRYWWQQSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000052268885 177385376 /nfs/dbraw/zinc/38/53/76/177385376.db2.gz CSFWKNFDYMAOJJ-HOJRLLLISA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000052268974 384709867 /nfs/dbraw/zinc/70/98/67/384709867.db2.gz MSQVBWIDCKSHKN-CJNGLKHVSA-N 1 0 237.346 3.774 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000052268977 384709300 /nfs/dbraw/zinc/70/93/00/384709300.db2.gz MSQVBWIDCKSHKN-BBRMVZONSA-N 1 0 237.346 3.774 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000052268980 384710077 /nfs/dbraw/zinc/71/00/77/384710077.db2.gz MSQVBWIDCKSHKN-CZUORRHYSA-N 1 0 237.346 3.774 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000052268983 384709289 /nfs/dbraw/zinc/70/92/89/384709289.db2.gz MSQVBWIDCKSHKN-XJKSGUPXSA-N 1 0 237.346 3.774 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052269076 384709403 /nfs/dbraw/zinc/70/94/03/384709403.db2.gz ZPBSMTLTMAKMHN-XUJVJEKNSA-N 1 0 217.356 3.869 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052269079 322852834 /nfs/dbraw/zinc/85/28/34/322852834.db2.gz ZPBSMTLTMAKMHN-HUBLWGQQSA-N 1 0 217.356 3.869 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052269082 384726184 /nfs/dbraw/zinc/72/61/84/384726184.db2.gz ZPBSMTLTMAKMHN-TYNCELHUSA-N 1 0 217.356 3.869 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052269086 384708506 /nfs/dbraw/zinc/70/85/06/384708506.db2.gz ZPBSMTLTMAKMHN-SLEUVZQESA-N 1 0 217.356 3.869 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000052269522 384713609 /nfs/dbraw/zinc/71/36/09/384713609.db2.gz ALLPTZSKLVTGKV-DYVFJYSZSA-N 1 0 237.346 3.852 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000052269525 384712419 /nfs/dbraw/zinc/71/24/19/384712419.db2.gz ALLPTZSKLVTGKV-GUYCJALGSA-N 1 0 237.346 3.852 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000052269527 384712408 /nfs/dbraw/zinc/71/24/08/384712408.db2.gz ALLPTZSKLVTGKV-CXAGYDPISA-N 1 0 237.346 3.852 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000052269530 322852752 /nfs/dbraw/zinc/85/27/52/322852752.db2.gz ALLPTZSKLVTGKV-SUMWQHHRSA-N 1 0 237.346 3.852 10 0 BHAERO CCC(C)(C)C1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC000052269631 322852733 /nfs/dbraw/zinc/85/27/33/322852733.db2.gz UHOYQSORKRNTPO-GFJIZPEISA-N 1 0 223.404 3.979 10 0 BHAERO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@@H]2C)CC1 ZINC000052269632 384713746 /nfs/dbraw/zinc/71/37/46/384713746.db2.gz UHOYQSORKRNTPO-ABXWRUBCSA-N 1 0 223.404 3.979 10 0 BHAERO CCC(C)(C)C1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC000052269635 384713453 /nfs/dbraw/zinc/71/34/53/384713453.db2.gz UHOYQSORKRNTPO-BLYZHGLHSA-N 1 0 223.404 3.979 10 0 BHAERO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@H]2C)CC1 ZINC000052269638 384711683 /nfs/dbraw/zinc/71/16/83/384711683.db2.gz UHOYQSORKRNTPO-RYSNWHEDSA-N 1 0 223.404 3.979 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000052269779 384713850 /nfs/dbraw/zinc/71/38/50/384713850.db2.gz IUXDPKRVSQUVTM-XVSSEFHLSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000052269781 322852874 /nfs/dbraw/zinc/85/28/74/322852874.db2.gz IUXDPKRVSQUVTM-WTIISPKJSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000052269783 384711540 /nfs/dbraw/zinc/71/15/40/384711540.db2.gz IUXDPKRVSQUVTM-IKWCTNDRSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000052269786 322852820 /nfs/dbraw/zinc/85/28/20/322852820.db2.gz IUXDPKRVSQUVTM-YWPUVAFDSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000052269842 384712431 /nfs/dbraw/zinc/71/24/31/384712431.db2.gz ATCBTEAVPNRIFT-XQHKEYJVSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1C(F)(F)F ZINC000052270210 384712070 /nfs/dbraw/zinc/71/20/70/384712070.db2.gz JRLKHKRHCCDUCG-PTRXPTGYSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000052270213 322852747 /nfs/dbraw/zinc/85/27/47/322852747.db2.gz JRLKHKRHCCDUCG-AUTRQRHGSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1C(F)(F)F ZINC000052270216 384713644 /nfs/dbraw/zinc/71/36/44/384713644.db2.gz JRLKHKRHCCDUCG-VDDIYKPWSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000052270219 384713662 /nfs/dbraw/zinc/71/36/62/384713662.db2.gz JRLKHKRHCCDUCG-HOTUBEGUSA-N 1 0 243.272 3.764 10 0 BHAERO CC(C)C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000052270278 134385333 /nfs/dbraw/zinc/38/53/33/134385333.db2.gz CWIVXLTUQXPQED-SNPRPXQTSA-N 1 0 217.356 3.772 10 0 BHAERO CC(C)C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000052270281 134698457 /nfs/dbraw/zinc/69/84/57/134698457.db2.gz CWIVXLTUQXPQED-QEJZJMRPSA-N 1 0 217.356 3.772 10 0 BHAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000052270283 358777217 /nfs/dbraw/zinc/77/72/17/358777217.db2.gz CWIVXLTUQXPQED-YUELXQCFSA-N 1 0 217.356 3.772 10 0 BHAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000052270286 358777040 /nfs/dbraw/zinc/77/70/40/358777040.db2.gz CWIVXLTUQXPQED-CFVMTHIKSA-N 1 0 217.356 3.772 10 0 BHAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270450 169320659 /nfs/dbraw/zinc/32/06/59/169320659.db2.gz CGJDGJCVVUVVNH-YWPYICTPSA-N 1 0 233.355 3.534 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270453 169322411 /nfs/dbraw/zinc/32/24/11/169322411.db2.gz CGJDGJCVVUVVNH-SLEUVZQESA-N 1 0 233.355 3.534 10 0 BHAERO CCCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270456 169320884 /nfs/dbraw/zinc/32/08/84/169320884.db2.gz CGJDGJCVVUVVNH-ZOWXZIJZSA-N 1 0 233.355 3.534 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270459 169322349 /nfs/dbraw/zinc/32/23/49/169322349.db2.gz CGJDGJCVVUVVNH-HUBLWGQQSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052270462 322852935 /nfs/dbraw/zinc/85/29/35/322852935.db2.gz MAPVAIJBBFOWQF-XUJVJEKNSA-N 1 0 233.355 3.533 10 0 BHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270464 384712128 /nfs/dbraw/zinc/71/21/28/384712128.db2.gz MAPVAIJBBFOWQF-HUBLWGQQSA-N 1 0 233.355 3.533 10 0 BHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052270466 384712400 /nfs/dbraw/zinc/71/24/00/384712400.db2.gz MAPVAIJBBFOWQF-TYNCELHUSA-N 1 0 233.355 3.533 10 0 BHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270468 384712876 /nfs/dbraw/zinc/71/28/76/384712876.db2.gz MAPVAIJBBFOWQF-SLEUVZQESA-N 1 0 233.355 3.533 10 0 BHAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270578 322852836 /nfs/dbraw/zinc/85/28/36/322852836.db2.gz PLETWMWXLMIUJE-SLEUVZQESA-N 1 0 217.356 3.698 10 0 BHAERO CCCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270583 322852743 /nfs/dbraw/zinc/85/27/43/322852743.db2.gz PLETWMWXLMIUJE-HUBLWGQQSA-N 1 0 217.356 3.698 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2ccccc2c1 ZINC000052270954 176930621 /nfs/dbraw/zinc/93/06/21/176930621.db2.gz OSXNPYKQNMCDBU-WQGACYEGSA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2ccccc2c1 ZINC000052270957 384713988 /nfs/dbraw/zinc/71/39/88/384713988.db2.gz OSXNPYKQNMCDBU-MKBNYLNASA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2ccccc2c1 ZINC000052270959 384712151 /nfs/dbraw/zinc/71/21/51/384712151.db2.gz OSXNPYKQNMCDBU-BFQNTYOBSA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2ccccc2c1 ZINC000052270962 384712361 /nfs/dbraw/zinc/71/23/61/384712361.db2.gz OSXNPYKQNMCDBU-MQIPJXDCSA-N 1 0 225.335 3.899 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000052271037 346303174 /nfs/dbraw/zinc/30/31/74/346303174.db2.gz IMCHILZKESFJAM-TVYUQYBPSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000052271044 134699441 /nfs/dbraw/zinc/69/94/41/134699441.db2.gz IMCHILZKESFJAM-XDTLVQLUSA-N 1 0 223.747 3.789 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000052271140 384713683 /nfs/dbraw/zinc/71/36/83/384713683.db2.gz TXOQMJOQXACMMX-PTRXPTGYSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000052271143 384713303 /nfs/dbraw/zinc/71/33/03/384713303.db2.gz TXOQMJOQXACMMX-AUTRQRHGSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000052271146 322852998 /nfs/dbraw/zinc/85/29/98/322852998.db2.gz TXOQMJOQXACMMX-VDDIYKPWSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000052271149 384713573 /nfs/dbraw/zinc/71/35/73/384713573.db2.gz TXOQMJOQXACMMX-HOTUBEGUSA-N 1 0 243.272 3.764 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000052271196 346303031 /nfs/dbraw/zinc/30/30/31/346303031.db2.gz PVKLTGOSCBWVRG-TVYUQYBPSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000052271203 346302946 /nfs/dbraw/zinc/30/29/46/346302946.db2.gz PVKLTGOSCBWVRG-XDTLVQLUSA-N 1 0 223.747 3.789 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc2ccccc21 ZINC000052271467 384713508 /nfs/dbraw/zinc/71/35/08/384713508.db2.gz WBKUFJLCKRKADL-WQGACYEGSA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc2ccccc21 ZINC000052271470 384712570 /nfs/dbraw/zinc/71/25/70/384712570.db2.gz WBKUFJLCKRKADL-MKBNYLNASA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc2ccccc21 ZINC000052271472 322852983 /nfs/dbraw/zinc/85/29/83/322852983.db2.gz WBKUFJLCKRKADL-BFQNTYOBSA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc2ccccc21 ZINC000052271475 384713183 /nfs/dbraw/zinc/71/31/83/384713183.db2.gz WBKUFJLCKRKADL-MQIPJXDCSA-N 1 0 225.335 3.899 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000052271869 384712946 /nfs/dbraw/zinc/71/29/46/384712946.db2.gz FMQXGWCZFLWEPH-PTRXPTGYSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000052271871 322853010 /nfs/dbraw/zinc/85/30/10/322853010.db2.gz FMQXGWCZFLWEPH-AUTRQRHGSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000052271873 384713235 /nfs/dbraw/zinc/71/32/35/384713235.db2.gz FMQXGWCZFLWEPH-VDDIYKPWSA-N 1 0 243.272 3.764 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000052271874 322853031 /nfs/dbraw/zinc/85/30/31/322853031.db2.gz FMQXGWCZFLWEPH-HOTUBEGUSA-N 1 0 243.272 3.764 10 0 BHAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1C ZINC000052271979 322853004 /nfs/dbraw/zinc/85/30/04/322853004.db2.gz SPCSKDNJZUFLFE-KCQAQPDRSA-N 1 0 217.356 3.671 10 0 BHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1C ZINC000052271983 322853074 /nfs/dbraw/zinc/85/30/74/322853074.db2.gz SPCSKDNJZUFLFE-YDHLFZDLSA-N 1 0 217.356 3.671 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000052272054 384713563 /nfs/dbraw/zinc/71/35/63/384713563.db2.gz UAQIEMCKFSIMJQ-WQGACYEGSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000052272056 322853071 /nfs/dbraw/zinc/85/30/71/322853071.db2.gz UAQIEMCKFSIMJQ-MKBNYLNASA-N 1 0 229.367 3.624 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000052272058 322853023 /nfs/dbraw/zinc/85/30/23/322853023.db2.gz UAQIEMCKFSIMJQ-BFQNTYOBSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000052272060 384713366 /nfs/dbraw/zinc/71/33/66/384713366.db2.gz UAQIEMCKFSIMJQ-MQIPJXDCSA-N 1 0 229.367 3.624 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000052272336 177349645 /nfs/dbraw/zinc/34/96/45/177349645.db2.gz DVXRCNOZOFMMAW-HZMBPMFUSA-N 1 0 245.297 3.584 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000052272341 177385243 /nfs/dbraw/zinc/38/52/43/177385243.db2.gz DVXRCNOZOFMMAW-IINYFYTJSA-N 1 0 245.297 3.584 10 0 BHAERO CCCCCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272426 322853015 /nfs/dbraw/zinc/85/30/15/322853015.db2.gz RSEDILCNOBRRLP-XJKSGUPXSA-N 1 0 247.382 3.754 10 0 BHAERO CCCCCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272428 384713515 /nfs/dbraw/zinc/71/35/15/384713515.db2.gz RSEDILCNOBRRLP-BBRMVZONSA-N 1 0 247.382 3.754 10 0 BHAERO CCCCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272430 384713802 /nfs/dbraw/zinc/71/38/02/384713802.db2.gz RSEDILCNOBRRLP-CZUORRHYSA-N 1 0 247.382 3.754 10 0 BHAERO CCCCCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272431 322853009 /nfs/dbraw/zinc/85/30/09/322853009.db2.gz RSEDILCNOBRRLP-CJNGLKHVSA-N 1 0 247.382 3.754 10 0 BHAERO CC(C)CCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272542 384712209 /nfs/dbraw/zinc/71/22/09/384712209.db2.gz ADHZEBDIITWGFF-CJNGLKHVSA-N 1 0 247.382 3.610 10 0 BHAERO CC(C)CCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272543 384711636 /nfs/dbraw/zinc/71/16/36/384711636.db2.gz ADHZEBDIITWGFF-BBRMVZONSA-N 1 0 247.382 3.610 10 0 BHAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272545 384713836 /nfs/dbraw/zinc/71/38/36/384713836.db2.gz ADHZEBDIITWGFF-CZUORRHYSA-N 1 0 247.382 3.610 10 0 BHAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272547 384712618 /nfs/dbraw/zinc/71/26/18/384712618.db2.gz ADHZEBDIITWGFF-XJKSGUPXSA-N 1 0 247.382 3.610 10 0 BHAERO COc1cccc2cc([C@H](C)[NH2+][C@H]3C[C@H]3C)oc21 ZINC000052272651 175307220 /nfs/dbraw/zinc/30/72/20/175307220.db2.gz PYQYIZLXMWVPLI-SCVCMEIPSA-N 1 0 245.322 3.500 10 0 BHAERO COc1cccc2cc([C@H](C)[NH2+][C@H]3C[C@@H]3C)oc21 ZINC000052272653 175307599 /nfs/dbraw/zinc/30/75/99/175307599.db2.gz PYQYIZLXMWVPLI-NHCYSSNCSA-N 1 0 245.322 3.500 10 0 BHAERO COc1cccc2cc([C@H](C)[NH2+][C@@H]3C[C@H]3C)oc21 ZINC000052272655 175307740 /nfs/dbraw/zinc/30/77/40/175307740.db2.gz PYQYIZLXMWVPLI-JFGNBEQYSA-N 1 0 245.322 3.500 10 0 BHAERO COc1cccc2cc([C@H](C)[NH2+][C@@H]3C[C@@H]3C)oc21 ZINC000052272657 175307232 /nfs/dbraw/zinc/30/72/32/175307232.db2.gz PYQYIZLXMWVPLI-JBLDHEPKSA-N 1 0 245.322 3.500 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000052272659 384712393 /nfs/dbraw/zinc/71/23/93/384712393.db2.gz MWAHBNSWSSTGGV-LWINAJNOSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000052272661 384712547 /nfs/dbraw/zinc/71/25/47/384712547.db2.gz MWAHBNSWSSTGGV-UBJUHAIHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000052272664 322852999 /nfs/dbraw/zinc/85/29/99/322852999.db2.gz MWAHBNSWSSTGGV-RGNHYFCHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000052272665 322852991 /nfs/dbraw/zinc/85/29/91/322852991.db2.gz MWAHBNSWSSTGGV-YVZVNANGSA-N 1 0 227.710 3.538 10 0 BHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272691 322853043 /nfs/dbraw/zinc/85/30/43/322853043.db2.gz BZQUKQFRFPMOTI-WWGRRREGSA-N 1 0 247.382 3.780 10 0 BHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272693 322853038 /nfs/dbraw/zinc/85/30/38/322853038.db2.gz BZQUKQFRFPMOTI-XEZPLFJOSA-N 1 0 247.382 3.780 10 0 BHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272695 322853073 /nfs/dbraw/zinc/85/30/73/322853073.db2.gz BZQUKQFRFPMOTI-DVOMOZLQSA-N 1 0 247.382 3.780 10 0 BHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272697 322853083 /nfs/dbraw/zinc/85/30/83/322853083.db2.gz BZQUKQFRFPMOTI-HEHGZKQESA-N 1 0 247.382 3.780 10 0 BHAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272912 322853079 /nfs/dbraw/zinc/85/30/79/322853079.db2.gz LTGINJQAYMHHCT-TUKIKUTGSA-N 1 0 217.356 3.698 10 0 BHAERO CCc1ccc([C@H](CC)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272916 384712612 /nfs/dbraw/zinc/71/26/12/384712612.db2.gz LTGINJQAYMHHCT-CQDKDKBSSA-N 1 0 217.356 3.698 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000052273296 384713337 /nfs/dbraw/zinc/71/33/37/384713337.db2.gz WXBPMDNMOVAMCP-XCJSAZNDSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000052273297 322853001 /nfs/dbraw/zinc/85/30/01/322853001.db2.gz WXBPMDNMOVAMCP-IHDSQDGZSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000052273298 322852987 /nfs/dbraw/zinc/85/29/87/322852987.db2.gz WXBPMDNMOVAMCP-SOBJAKRESA-N 1 0 235.758 3.584 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000052273300 322853019 /nfs/dbraw/zinc/85/30/19/322853019.db2.gz WXBPMDNMOVAMCP-IEXPGBGJSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000052273331 322853080 /nfs/dbraw/zinc/85/30/80/322853080.db2.gz NFCRNTKXYYVOBC-XCJSAZNDSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000052273334 322853036 /nfs/dbraw/zinc/85/30/36/322853036.db2.gz NFCRNTKXYYVOBC-IHDSQDGZSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000052273335 384713464 /nfs/dbraw/zinc/71/34/64/384713464.db2.gz NFCRNTKXYYVOBC-SOBJAKRESA-N 1 0 235.758 3.584 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000052273338 322853012 /nfs/dbraw/zinc/85/30/12/322853012.db2.gz NFCRNTKXYYVOBC-IEXPGBGJSA-N 1 0 235.758 3.584 10 0 BHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052273806 384713688 /nfs/dbraw/zinc/71/36/88/384713688.db2.gz CFJLRSIZOGTRDD-XHVZSJERSA-N 1 0 229.323 3.800 10 0 BHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052273810 384712973 /nfs/dbraw/zinc/71/29/73/384712973.db2.gz CFJLRSIZOGTRDD-GAFUQQFSSA-N 1 0 229.323 3.800 10 0 BHAERO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[C@@H]1C ZINC000052274166 175649787 /nfs/dbraw/zinc/64/97/87/175649787.db2.gz FNKNRMZHBWDJMO-YDHLFZDLSA-N 1 0 231.383 3.741 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000052274372 384713654 /nfs/dbraw/zinc/71/36/54/384713654.db2.gz AGYPYNBSUIPXEI-BIGNPOOSSA-N 1 0 235.758 3.789 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000052274375 384713168 /nfs/dbraw/zinc/71/31/68/384713168.db2.gz AGYPYNBSUIPXEI-OWYVNGRQSA-N 1 0 235.758 3.789 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000052274427 322852990 /nfs/dbraw/zinc/85/29/90/322852990.db2.gz KFBZGEWVSRQWST-MIGQKNRLSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000052274434 322852981 /nfs/dbraw/zinc/85/29/81/322852981.db2.gz PYEHYLCXBPRBGW-LWINAJNOSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000052274436 384713528 /nfs/dbraw/zinc/71/35/28/384713528.db2.gz PYEHYLCXBPRBGW-UBJUHAIHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000052274438 384713190 /nfs/dbraw/zinc/71/31/90/384713190.db2.gz PYEHYLCXBPRBGW-RGNHYFCHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000052274440 384712698 /nfs/dbraw/zinc/71/26/98/384712698.db2.gz PYEHYLCXBPRBGW-YVZVNANGSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000052274820 384713404 /nfs/dbraw/zinc/71/34/04/384713404.db2.gz WMEYLRHZNQWMPS-SCDSUCTJSA-N 1 0 235.396 3.977 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000052274825 384713555 /nfs/dbraw/zinc/71/35/55/384713555.db2.gz WMEYLRHZNQWMPS-MPKXVKKWSA-N 1 0 235.396 3.977 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000052275062 384712922 /nfs/dbraw/zinc/71/29/22/384712922.db2.gz RBIRUPAZBIMSOB-ABAIWWIYSA-N 1 0 243.375 3.913 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000052275063 322853076 /nfs/dbraw/zinc/85/30/76/322853076.db2.gz RBIRUPAZBIMSOB-NHYWBVRUSA-N 1 0 243.375 3.913 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000052275066 384713934 /nfs/dbraw/zinc/71/39/34/384713934.db2.gz RBIRUPAZBIMSOB-IAQYHMDHSA-N 1 0 243.375 3.913 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000052275068 384713857 /nfs/dbraw/zinc/71/38/57/384713857.db2.gz RBIRUPAZBIMSOB-XHDPSFHLSA-N 1 0 243.375 3.913 10 0 BHAERO Cc1nc(-c2ccc(C(C)C)cc2)sc1C[NH3+] ZINC000052329981 188126185 /nfs/dbraw/zinc/12/61/85/188126185.db2.gz VDHBCQWUWCBUIG-UHFFFAOYSA-N 1 0 246.379 3.701 10 0 BHAERO CC[NH2+]Cc1sc(C2CCCCC2)nc1C ZINC000052330275 170133046 /nfs/dbraw/zinc/13/30/46/170133046.db2.gz RDOOOASWQSJTRY-UHFFFAOYSA-N 1 0 238.400 3.609 10 0 BHAERO CCC[NH2+]CCCCN(CC)c1ccccc1C ZINC000052417736 169257551 /nfs/dbraw/zinc/25/75/51/169257551.db2.gz FLOUXHOQWDZLEE-UHFFFAOYSA-N 1 0 248.414 3.601 10 0 BHAERO CCC[NH2+]CCCCCN(C)c1ccc(C)cc1 ZINC000052509589 169256616 /nfs/dbraw/zinc/25/66/16/169256616.db2.gz AYXOAZNFAPNIIB-UHFFFAOYSA-N 1 0 248.414 3.601 10 0 BHAERO Cc1cccc(N(C)CCCC[NH2+]C(C)(C)C)c1 ZINC000052517864 179116654 /nfs/dbraw/zinc/11/66/54/179116654.db2.gz MXHZOONCXIOWTN-UHFFFAOYSA-N 1 0 248.414 3.600 10 0 BHAERO CCC(CC)CN(CC)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052540607 168351092 /nfs/dbraw/zinc/35/10/92/168351092.db2.gz XZHZELDPZZLXTL-ZDUSSCGKSA-N 1 0 242.451 3.521 10 0 BHAERO CCC(CC)CN(CC)[C@H](C)C[NH2+]C(C)(C)C ZINC000052540608 168350561 /nfs/dbraw/zinc/35/05/61/168350561.db2.gz XZHZELDPZZLXTL-CYBMUJFWSA-N 1 0 242.451 3.521 10 0 BHAERO Cc1ccccc1N(C)CCCC[NH2+]C(C)(C)C ZINC000052542850 179294408 /nfs/dbraw/zinc/29/44/08/179294408.db2.gz BJZUXBGLVNHFJV-UHFFFAOYSA-N 1 0 248.414 3.600 10 0 BHAERO CCC[NH2+]CCCCN(C)c1ccc(C)cc1C ZINC000052544316 169257332 /nfs/dbraw/zinc/25/73/32/169257332.db2.gz IBSSGHQRLVYUMX-UHFFFAOYSA-N 1 0 248.414 3.519 10 0 BHAERO Cc1cc(C)cc(N(C)[C@@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052544615 177904880 /nfs/dbraw/zinc/90/48/80/177904880.db2.gz LHIHQXYDXWYLGH-AWEZNQCLSA-N 1 0 248.414 3.516 10 0 BHAERO CC[C@H](C[NH2+]C(C)C)N(C)c1cc(C)cc(C)c1 ZINC000052544626 171436856 /nfs/dbraw/zinc/43/68/56/171436856.db2.gz LLCWZRSGSIBHJC-OAHLLOKOSA-N 1 0 248.414 3.516 10 0 BHAERO C/C=C/CO[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052595025 187271440 /nfs/dbraw/zinc/27/14/40/187271440.db2.gz DXOVPACLDGKSPK-APHBUQMISA-N 1 0 247.382 3.566 10 0 BHAERO CC(C)C[NH2+]Cc1ccc(COC2CCC2)cc1 ZINC000052595653 167007425 /nfs/dbraw/zinc/00/74/25/167007425.db2.gz ASMMYJBMFMRXQG-UHFFFAOYSA-N 1 0 247.382 3.501 10 0 BHAERO CC(C)(C)[NH2+]Cc1ccccc1COC1CCC1 ZINC000052595744 166634945 /nfs/dbraw/zinc/63/49/45/166634945.db2.gz ZZGWNWCFMCCOKN-UHFFFAOYSA-N 1 0 247.382 3.644 10 0 BHAERO CC(C)C[NH2+]Cc1ccccc1COC1CCC1 ZINC000052595790 167010774 /nfs/dbraw/zinc/01/07/74/167010774.db2.gz VVRXSGHFYRASKT-UHFFFAOYSA-N 1 0 247.382 3.501 10 0 BHAERO C/C=C/c1ccccc1O[C@@H](C)C[NH2+]CC(C)C ZINC000052598357 188126110 /nfs/dbraw/zinc/12/61/10/188126110.db2.gz OOOACQHSUASFFW-GPAKFWEMSA-N 1 0 247.382 3.733 10 0 BHAERO C/C=C/c1ccccc1O[C@@H](CC)C[NH2+]C1CC1 ZINC000052598374 188126445 /nfs/dbraw/zinc/12/64/45/188126445.db2.gz WDVBVNIQWNMQIA-MIOHMZDASA-N 1 0 245.366 3.629 10 0 BHAERO CC(C)[NH2+]Cc1ccccc1COC1CCCC1 ZINC000052600938 167121464 /nfs/dbraw/zinc/12/14/64/167121464.db2.gz YNCJNNIHLPCGEB-UHFFFAOYSA-N 1 0 247.382 3.644 10 0 BHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)OCc1ccccc1 ZINC000052600998 167398454 /nfs/dbraw/zinc/39/84/54/167398454.db2.gz HJINYRXUSFZIOT-OAHLLOKOSA-N 1 0 249.398 3.616 10 0 BHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)OCc1ccccc1 ZINC000052601000 188333556 /nfs/dbraw/zinc/33/35/56/188333556.db2.gz HJINYRXUSFZIOT-HNNXBMFYSA-N 1 0 249.398 3.616 10 0 BHAERO CC[NH2+]Cc1sc2ccccc2c1COCC ZINC000052602606 170133053 /nfs/dbraw/zinc/13/30/53/170133053.db2.gz URCSGGUWZDGQDY-UHFFFAOYSA-N 1 0 249.379 3.547 10 0 BHAERO CC(C)C[C@@H](C)OCCCCC[NH2+]C(C)(C)C ZINC000052603704 188126290 /nfs/dbraw/zinc/12/62/90/188126290.db2.gz IPPCZUQUNMYDTR-CQSZACIVSA-N 1 0 243.435 3.996 10 0 BHAERO CC1CCC(OCCCC[NH2+]C(C)(C)C)CC1 ZINC000052618962 168167999 /nfs/dbraw/zinc/16/79/99/168167999.db2.gz WRAGDFUHJANTFY-UHFFFAOYSA-N 1 0 241.419 3.750 10 0 BHAERO C[NH2+]Cc1ccccc1COC1CCC(C)CC1 ZINC000052619524 173390863 /nfs/dbraw/zinc/39/08/63/173390863.db2.gz TXHKVNOUIGEGQC-UHFFFAOYSA-N 1 0 247.382 3.501 10 0 BHAERO CC[C@@H](C[NH2+]CC(C)C)O[C@@H]1CCCC[C@@H]1C ZINC000052619906 170827691 /nfs/dbraw/zinc/82/76/91/170827691.db2.gz LGLGYZOCQOPFLD-SOUVJXGZSA-N 1 0 241.419 3.606 10 0 BHAERO CC[C@@H](C[NH2+]C1CC1)O[C@H]1CCCC[C@@H]1CC ZINC000052621439 170827978 /nfs/dbraw/zinc/82/79/78/170827978.db2.gz PUPNXZIOLQXWTQ-QEJZJMRPSA-N 1 0 239.403 3.502 10 0 BHAERO CC[C@@H](C[NH2+]C1CC1)O[C@@H]1CCCC[C@@H]1CC ZINC000052621443 170827747 /nfs/dbraw/zinc/82/77/47/170827747.db2.gz PUPNXZIOLQXWTQ-AEGPPILISA-N 1 0 239.403 3.502 10 0 BHAERO CC[NH2+]CCCCCO[C@H]1CCCC[C@H]1CC ZINC000052622003 170111758 /nfs/dbraw/zinc/11/17/58/170111758.db2.gz QWTHFAOFTCOSDC-CABCVRRESA-N 1 0 241.419 3.752 10 0 BHAERO CC[NH2+]CCCCCO[C@H]1CCCC[C@@H]1CC ZINC000052622004 170111476 /nfs/dbraw/zinc/11/14/76/170111476.db2.gz QWTHFAOFTCOSDC-GJZGRUSLSA-N 1 0 241.419 3.752 10 0 BHAERO CC[NH2+]CCCCCO[C@@H]1CCCC[C@H]1CC ZINC000052622006 170112124 /nfs/dbraw/zinc/11/21/24/170112124.db2.gz QWTHFAOFTCOSDC-HUUCEWRRSA-N 1 0 241.419 3.752 10 0 BHAERO CC(C)COCc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052622416 187781815 /nfs/dbraw/zinc/78/18/15/187781815.db2.gz WBOXIXHTGQIVLU-UHFFFAOYSA-N 1 0 249.398 3.747 10 0 BHAERO CC(C)COCc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052622677 188126272 /nfs/dbraw/zinc/12/62/72/188126272.db2.gz AEQDSAHZXQQZQK-UHFFFAOYSA-N 1 0 249.398 3.747 10 0 BHAERO CC(C)COCc1ccccc1C[NH2+]C(C)(C)C ZINC000052622759 187781952 /nfs/dbraw/zinc/78/19/52/187781952.db2.gz KSBXDZPBRXFREC-UHFFFAOYSA-N 1 0 249.398 3.747 10 0 BHAERO CC(C)C[NH2+]Cc1ccccc1COCC(C)C ZINC000052622792 167010736 /nfs/dbraw/zinc/01/07/36/167010736.db2.gz ZEWWFZAGJDGJNP-UHFFFAOYSA-N 1 0 249.398 3.605 10 0 BHAERO CC(C)[NH2+]CCCCO[C@@H](C)c1ccccc1 ZINC000052623770 167102018 /nfs/dbraw/zinc/10/20/18/167102018.db2.gz ZRMAKVPLBIBLEK-AWEZNQCLSA-N 1 0 235.371 3.542 10 0 BHAERO CC(C)[NH2+]CCCCO[C@H](C)c1ccccc1 ZINC000052623772 167103176 /nfs/dbraw/zinc/10/31/76/167103176.db2.gz ZRMAKVPLBIBLEK-CQSZACIVSA-N 1 0 235.371 3.542 10 0 BHAERO C[C@H](C[NH2+]C(C)(C)C)O[C@@H](C)c1ccccc1 ZINC000052623835 177021573 /nfs/dbraw/zinc/02/15/73/177021573.db2.gz CVRYYFANINBQRK-OLZOCXBDSA-N 1 0 235.371 3.541 10 0 BHAERO C[C@@H](O[C@@H](C)C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052623837 175731001 /nfs/dbraw/zinc/73/10/01/175731001.db2.gz CVRYYFANINBQRK-QWHCGFSZSA-N 1 0 235.371 3.541 10 0 BHAERO CC[NH2+]CCCCO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629119 170112540 /nfs/dbraw/zinc/11/25/40/170112540.db2.gz OBUCOHODBRCSNN-UONOGXRCSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+]CCCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629120 170112916 /nfs/dbraw/zinc/11/29/16/170112916.db2.gz OBUCOHODBRCSNN-KBPBESRZSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+]CCCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629121 170112883 /nfs/dbraw/zinc/11/28/83/170112883.db2.gz OBUCOHODBRCSNN-ZIAGYGMSSA-N 1 0 241.419 3.608 10 0 BHAERO CC[NH2+]CCCCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629122 170112513 /nfs/dbraw/zinc/11/25/13/170112513.db2.gz OBUCOHODBRCSNN-KGLIPLIRSA-N 1 0 241.419 3.608 10 0 BHAERO CC(C)C[NH2+]C[C@H](OC(C)(C)C)c1ccccc1 ZINC000052629787 167006032 /nfs/dbraw/zinc/00/60/32/167006032.db2.gz DETJILKUTODKNY-HNNXBMFYSA-N 1 0 249.398 3.788 10 0 BHAERO CC(C)C[NH2+]C[C@@H](OC(C)(C)C)c1ccccc1 ZINC000052629788 167006349 /nfs/dbraw/zinc/00/63/49/167006349.db2.gz DETJILKUTODKNY-OAHLLOKOSA-N 1 0 249.398 3.788 10 0 BHAERO CCCC[C@@H](CC)COCCC[NH2+]CC(C)C ZINC000052629915 168959091 /nfs/dbraw/zinc/95/90/91/168959091.db2.gz GZHOSCHPNYZMKN-OAHLLOKOSA-N 1 0 243.435 3.855 10 0 BHAERO CCC[NH2+]Cc1cccc(COC(C)(C)CC)c1 ZINC000052630475 169267538 /nfs/dbraw/zinc/26/75/38/169267538.db2.gz XNMIQQGYMBOGCE-UHFFFAOYSA-N 1 0 249.398 3.891 10 0 BHAERO CCC[NH2+]Cc1ccccc1COC(C)(C)CC ZINC000052630653 169268317 /nfs/dbraw/zinc/26/83/17/169268317.db2.gz MYJZJCAODSDRMN-UHFFFAOYSA-N 1 0 249.398 3.891 10 0 BHAERO CCC(C)(C)O[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052630665 168304211 /nfs/dbraw/zinc/30/42/11/168304211.db2.gz PWAPPTUQRVBCSC-HNNXBMFYSA-N 1 0 249.398 3.931 10 0 BHAERO CCC(C)(C)O[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052630666 168304532 /nfs/dbraw/zinc/30/45/32/168304532.db2.gz PWAPPTUQRVBCSC-OAHLLOKOSA-N 1 0 249.398 3.931 10 0 BHAERO CCC[NH2+]C[C@H](O[C@@H]1CCC[C@H](C)C1)C(C)C ZINC000052631547 169264712 /nfs/dbraw/zinc/26/47/12/169264712.db2.gz MHEQRTCPWWEKML-ZNMIVQPWSA-N 1 0 241.419 3.606 10 0 BHAERO CCC[NH2+]C[C@H](O[C@H]1CCC[C@H](C)C1)C(C)C ZINC000052631549 169264879 /nfs/dbraw/zinc/26/48/79/169264879.db2.gz MHEQRTCPWWEKML-KKUMJFAQSA-N 1 0 241.419 3.606 10 0 BHAERO CC[C@H](C[NH2+]CC(C)C)O[C@H]1CCC[C@H](C)C1 ZINC000052631662 171437500 /nfs/dbraw/zinc/43/75/00/171437500.db2.gz AEKHFDGCKMXAHL-ZNMIVQPWSA-N 1 0 241.419 3.606 10 0 BHAERO CCC[NH2+]CCC[C@H](C)O[C@@H]1CCC[C@H](C)C1 ZINC000052632040 169258185 /nfs/dbraw/zinc/25/81/85/169258185.db2.gz KLXCURIZOPEWQL-SOUVJXGZSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+]CCC[C@H](C)O[C@H]1CCC[C@H](C)C1 ZINC000052632042 169257835 /nfs/dbraw/zinc/25/78/35/169257835.db2.gz KLXCURIZOPEWQL-KKUMJFAQSA-N 1 0 241.419 3.750 10 0 BHAERO CCCOCc1ccccc1C[NH2+]C(C)(C)C ZINC000052644644 169309943 /nfs/dbraw/zinc/30/99/43/169309943.db2.gz SDMTYRHIFBXDFG-UHFFFAOYSA-N 1 0 235.371 3.501 10 0 BHAERO CCCCOCc1c2ccccc2sc1C[NH3+] ZINC000052644957 188126345 /nfs/dbraw/zinc/12/63/45/188126345.db2.gz QQTUSULZZAHADO-UHFFFAOYSA-N 1 0 249.379 3.677 10 0 BHAERO CCCCO[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052645136 168911513 /nfs/dbraw/zinc/91/15/13/168911513.db2.gz JZZMIIFDXQLFQI-INIZCTEOSA-N 1 0 249.398 3.790 10 0 BHAERO C[NH2+]CCCCOc1cc(C)ccc1C(C)(C)C ZINC000052646196 173345319 /nfs/dbraw/zinc/34/53/19/173345319.db2.gz NTTFYNRFIKEICY-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO CCc1cccc(O[C@H](CC)C[NH2+]C(C)(C)C)c1 ZINC000052647721 171866943 /nfs/dbraw/zinc/86/69/43/171866943.db2.gz QYBGBHREDRJKAF-CQSZACIVSA-N 1 0 249.398 3.795 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccccc1C(C)(C)C ZINC000052651987 169262377 /nfs/dbraw/zinc/26/23/77/169262377.db2.gz BQBNHICRZVIGNH-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccccc1C(C)(C)C ZINC000052651989 169263307 /nfs/dbraw/zinc/26/33/07/169263307.db2.gz BQBNHICRZVIGNH-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO CC(C)[NH2+]C[C@@H](C)Oc1ccccc1C(C)(C)C ZINC000052651991 167111701 /nfs/dbraw/zinc/11/17/01/167111701.db2.gz HYAIZYVMFUQUJM-CYBMUJFWSA-N 1 0 249.398 3.749 10 0 BHAERO CC(C)[NH2+]C[C@H](C)Oc1ccccc1C(C)(C)C ZINC000052651993 167112934 /nfs/dbraw/zinc/11/29/34/167112934.db2.gz HYAIZYVMFUQUJM-ZDUSSCGKSA-N 1 0 249.398 3.749 10 0 BHAERO CC[NH2+]C[C@H](CC)Oc1ccccc1C(C)(C)C ZINC000052652006 170121650 /nfs/dbraw/zinc/12/16/50/170121650.db2.gz BRAZNTYRDDDZER-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO CC[NH2+]C[C@@H](CC)Oc1ccccc1C(C)(C)C ZINC000052652007 170118993 /nfs/dbraw/zinc/11/89/93/170118993.db2.gz BRAZNTYRDDDZER-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccc(C)cc1C ZINC000052652952 170828012 /nfs/dbraw/zinc/82/80/12/170828012.db2.gz MFMMWQGPXJMDGS-HNNXBMFYSA-N 1 0 249.398 3.706 10 0 BHAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccc(C)cc1C ZINC000052652955 171437515 /nfs/dbraw/zinc/43/75/15/171437515.db2.gz MFMMWQGPXJMDGS-OAHLLOKOSA-N 1 0 249.398 3.706 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653303 169262832 /nfs/dbraw/zinc/26/28/32/169262832.db2.gz HNTCIKUNCHPDBA-CYBMUJFWSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653305 169263329 /nfs/dbraw/zinc/26/33/29/169263329.db2.gz HNTCIKUNCHPDBA-ZDUSSCGKSA-N 1 0 235.371 3.577 10 0 BHAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653317 167004613 /nfs/dbraw/zinc/00/46/13/167004613.db2.gz UXVRLBSQLWJWSE-CQSZACIVSA-N 1 0 249.398 3.823 10 0 BHAERO CC(C)C[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653318 167007230 /nfs/dbraw/zinc/00/72/30/167007230.db2.gz UXVRLBSQLWJWSE-AWEZNQCLSA-N 1 0 249.398 3.823 10 0 BHAERO CC[NH2+]C[C@H](CC)Oc1ccc(C(C)C)cc1 ZINC000052653324 170121793 /nfs/dbraw/zinc/12/17/93/170121793.db2.gz PCUUFWGIOLCGCA-AWEZNQCLSA-N 1 0 235.371 3.577 10 0 BHAERO CC[NH2+]C[C@@H](CC)Oc1ccc(C(C)C)cc1 ZINC000052653326 170118754 /nfs/dbraw/zinc/11/87/54/170118754.db2.gz PCUUFWGIOLCGCA-CQSZACIVSA-N 1 0 235.371 3.577 10 0 BHAERO C[NH2+]CCCCCOc1ccc(C(C)C)cc1 ZINC000052653471 173345444 /nfs/dbraw/zinc/34/54/44/173345444.db2.gz APFCXKJESNRCNU-UHFFFAOYSA-N 1 0 235.371 3.579 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000052653597 169262710 /nfs/dbraw/zinc/26/27/10/169262710.db2.gz WXKUFFVTNVFDNG-CYBMUJFWSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1cccc(C(C)C)c1 ZINC000052653599 169263761 /nfs/dbraw/zinc/26/37/61/169263761.db2.gz WXKUFFVTNVFDNG-ZDUSSCGKSA-N 1 0 235.371 3.577 10 0 BHAERO CC(C)C[NH2+]C[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000052653613 167004796 /nfs/dbraw/zinc/00/47/96/167004796.db2.gz QKKZRXSEEHUQML-CQSZACIVSA-N 1 0 249.398 3.823 10 0 BHAERO CC(C)C[NH2+]C[C@H](C)Oc1cccc(C(C)C)c1 ZINC000052653615 167007091 /nfs/dbraw/zinc/00/70/91/167007091.db2.gz QKKZRXSEEHUQML-AWEZNQCLSA-N 1 0 249.398 3.823 10 0 BHAERO CC[C@H](C[NH2+]C(C)(C)C)Oc1cccc(C)c1C ZINC000052654566 171436547 /nfs/dbraw/zinc/43/65/47/171436547.db2.gz MSUZNAJEBSAWER-CQSZACIVSA-N 1 0 249.398 3.849 10 0 BHAERO CCC[NH2+]C[C@H](Oc1ccc(CC)cc1)C(C)C ZINC000052655379 169264683 /nfs/dbraw/zinc/26/46/83/169264683.db2.gz KLKKVINWNNAUQG-INIZCTEOSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+]C[C@@H](Oc1ccc(CC)cc1)C(C)C ZINC000052655381 169262532 /nfs/dbraw/zinc/26/25/32/169262532.db2.gz KLKKVINWNNAUQG-MRXNPFEDSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000052663024 169261706 /nfs/dbraw/zinc/26/17/06/169261706.db2.gz OVMMWMRFTGBKPH-CQSZACIVSA-N 1 0 249.398 3.885 10 0 BHAERO CC[NH2+]C[C@H](CC)Oc1cc(C)ccc1C(C)C ZINC000052663045 170121533 /nfs/dbraw/zinc/12/15/33/170121533.db2.gz IARKJPTUEPMIMD-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO CC[NH2+]C[C@@H](CC)Oc1cc(C)ccc1C(C)C ZINC000052663047 170118954 /nfs/dbraw/zinc/11/89/54/170118954.db2.gz IARKJPTUEPMIMD-CQSZACIVSA-N 1 0 249.398 3.885 10 0 BHAERO C[NH2+]CCC[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000052663144 173350379 /nfs/dbraw/zinc/35/03/79/173350379.db2.gz UERRKLKYNYLSEI-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO C[NH2+]CCC[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000052663145 173349899 /nfs/dbraw/zinc/34/98/99/173349899.db2.gz UERRKLKYNYLSEI-CQSZACIVSA-N 1 0 249.398 3.885 10 0 BHAERO C[NH2+]C[C@H](Oc1ccc(C(C)C)c(C)c1)C(C)C ZINC000052663215 173377807 /nfs/dbraw/zinc/37/78/07/173377807.db2.gz YGNAODAOBAXFNT-INIZCTEOSA-N 1 0 249.398 3.741 10 0 BHAERO C[NH2+]C[C@@H](Oc1ccc(C(C)C)c(C)c1)C(C)C ZINC000052663217 173367088 /nfs/dbraw/zinc/36/70/88/173367088.db2.gz YGNAODAOBAXFNT-MRXNPFEDSA-N 1 0 249.398 3.741 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000052663236 169261452 /nfs/dbraw/zinc/26/14/52/169261452.db2.gz SLMZPBPLMOYVOK-CQSZACIVSA-N 1 0 249.398 3.885 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000052663238 169263644 /nfs/dbraw/zinc/26/36/44/169263644.db2.gz SLMZPBPLMOYVOK-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO Cc1cc(O[C@@H](C)C[NH2+]C(C)C)ccc1C(C)C ZINC000052663239 178212916 /nfs/dbraw/zinc/21/29/16/178212916.db2.gz WQZZPECGNALCIO-AWEZNQCLSA-N 1 0 249.398 3.884 10 0 BHAERO Cc1cc(O[C@H](C)C[NH2+]C(C)C)ccc1C(C)C ZINC000052663241 178213672 /nfs/dbraw/zinc/21/36/72/178213672.db2.gz WQZZPECGNALCIO-CQSZACIVSA-N 1 0 249.398 3.884 10 0 BHAERO CC[NH2+]C[C@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000052663254 170121505 /nfs/dbraw/zinc/12/15/05/170121505.db2.gz KHRBLLODVVWESW-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO CC[NH2+]C[C@@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000052663255 170118748 /nfs/dbraw/zinc/11/87/48/170118748.db2.gz KHRBLLODVVWESW-CQSZACIVSA-N 1 0 249.398 3.885 10 0 BHAERO Cc1cc(O[C@@H](C)CCC[NH3+])ccc1C(C)C ZINC000052663319 178213120 /nfs/dbraw/zinc/21/31/20/178213120.db2.gz MUFIDOCVFAYMFA-ZDUSSCGKSA-N 1 0 235.371 3.625 10 0 BHAERO Cc1cc(O[C@H](C)CCC[NH3+])ccc1C(C)C ZINC000052663321 178213737 /nfs/dbraw/zinc/21/37/37/178213737.db2.gz MUFIDOCVFAYMFA-CYBMUJFWSA-N 1 0 235.371 3.625 10 0 BHAERO C[NH2+]CCCCCOc1ccc(C(C)C)c(C)c1 ZINC000052663343 173345303 /nfs/dbraw/zinc/34/53/03/173345303.db2.gz PEQGCGFOHSCXBQ-UHFFFAOYSA-N 1 0 249.398 3.887 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663407 169261636 /nfs/dbraw/zinc/26/16/36/169261636.db2.gz CLCPEERJLHXKRN-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663409 169263631 /nfs/dbraw/zinc/26/36/31/169263631.db2.gz CLCPEERJLHXKRN-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO C[NH2+]CCC[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663496 173350443 /nfs/dbraw/zinc/35/04/43/173350443.db2.gz XVEZUIZNBVFTLA-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO C[NH2+]CCC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663498 173350113 /nfs/dbraw/zinc/35/01/13/173350113.db2.gz XVEZUIZNBVFTLA-CYBMUJFWSA-N 1 0 249.398 3.751 10 0 BHAERO Cc1cc(C)cc(OCCCC[NH2+]CC(C)C)c1 ZINC000052666274 177912903 /nfs/dbraw/zinc/91/29/03/177912903.db2.gz FAEGTEHGHHYKSB-UHFFFAOYSA-N 1 0 249.398 3.708 10 0 BHAERO Cc1cccc(O[C@@H](C)CCC[NH2+]C(C)(C)C)c1 ZINC000052666928 179173368 /nfs/dbraw/zinc/17/33/68/179173368.db2.gz YJGNKURIPIGUKH-AWEZNQCLSA-N 1 0 249.398 3.931 10 0 BHAERO Cc1cccc(O[C@H](C)CCC[NH2+]C(C)(C)C)c1 ZINC000052666930 179174567 /nfs/dbraw/zinc/17/45/67/179174567.db2.gz YJGNKURIPIGUKH-CQSZACIVSA-N 1 0 249.398 3.931 10 0 BHAERO Cc1ccccc1O[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052667136 179313180 /nfs/dbraw/zinc/31/31/80/179313180.db2.gz NVQASBCUOBMYES-HNNXBMFYSA-N 1 0 249.398 3.787 10 0 BHAERO Cc1ccccc1O[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052667138 179313994 /nfs/dbraw/zinc/31/39/94/179313994.db2.gz NVQASBCUOBMYES-OAHLLOKOSA-N 1 0 249.398 3.787 10 0 BHAERO Cc1ccccc1O[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052667386 179312554 /nfs/dbraw/zinc/31/25/54/179312554.db2.gz KILDXQJGMJPHLS-AWEZNQCLSA-N 1 0 249.398 3.931 10 0 BHAERO Cc1ccccc1O[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052667388 179312805 /nfs/dbraw/zinc/31/28/05/179312805.db2.gz KILDXQJGMJPHLS-CQSZACIVSA-N 1 0 249.398 3.931 10 0 BHAERO CCC[NH2+]Cc1cccc(CO[C@@H](C)CC)c1 ZINC000052668719 169267536 /nfs/dbraw/zinc/26/75/36/169267536.db2.gz GKROGVOJLDUUMZ-ZDUSSCGKSA-N 1 0 235.371 3.501 10 0 BHAERO CC[C@H](C)OCc1cccc(C[NH2+]CC(C)C)c1 ZINC000052668738 171355228 /nfs/dbraw/zinc/35/52/28/171355228.db2.gz YKPUDFANSKQUDW-AWEZNQCLSA-N 1 0 249.398 3.747 10 0 BHAERO CC[C@H](C)OCc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052669180 171355677 /nfs/dbraw/zinc/35/56/77/171355677.db2.gz VRHHCLWIEXHEKI-ZDUSSCGKSA-N 1 0 249.398 3.890 10 0 BHAERO CC[C@H](C)OCc1ccccc1C[NH2+]C(C)(C)C ZINC000052669305 171355247 /nfs/dbraw/zinc/35/52/47/171355247.db2.gz PNXRTRWESBXFLP-ZDUSSCGKSA-N 1 0 249.398 3.890 10 0 BHAERO C[NH2+]Cc1ccccc1COC1CCCCCC1 ZINC000052671515 173390661 /nfs/dbraw/zinc/39/06/61/173390661.db2.gz GBTNYZSKJSXIJC-UHFFFAOYSA-N 1 0 247.382 3.645 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1cccc2ccccc21 ZINC000052676099 169262910 /nfs/dbraw/zinc/26/29/10/169262910.db2.gz BWAGWEAAFMQGEH-CYBMUJFWSA-N 1 0 243.350 3.607 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1cccc2ccccc21 ZINC000052676102 169263713 /nfs/dbraw/zinc/26/37/13/169263713.db2.gz BWAGWEAAFMQGEH-ZDUSSCGKSA-N 1 0 243.350 3.607 10 0 BHAERO C[NH2+]CCC[C@H](C)Oc1cccc2ccccc21 ZINC000052676282 173350411 /nfs/dbraw/zinc/35/04/11/173350411.db2.gz PXHXSNBUXSGEBB-ZDUSSCGKSA-N 1 0 243.350 3.607 10 0 BHAERO C[NH2+]CCC[C@@H](C)Oc1cccc2ccccc21 ZINC000052676285 173349990 /nfs/dbraw/zinc/34/99/90/173349990.db2.gz PXHXSNBUXSGEBB-CYBMUJFWSA-N 1 0 243.350 3.607 10 0 BHAERO CC[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000052677326 170112448 /nfs/dbraw/zinc/11/24/48/170112448.db2.gz ARPQDOTXBPGVPQ-UHFFFAOYSA-N 1 0 243.350 3.608 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccc2ccccc2c1 ZINC000052677349 169262458 /nfs/dbraw/zinc/26/24/58/169262458.db2.gz NQVWMMPANXJGEY-CYBMUJFWSA-N 1 0 243.350 3.607 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccc2ccccc2c1 ZINC000052677352 169263566 /nfs/dbraw/zinc/26/35/66/169263566.db2.gz NQVWMMPANXJGEY-ZDUSSCGKSA-N 1 0 243.350 3.607 10 0 BHAERO C[NH2+]CCCCCOc1ccc2ccccc2c1 ZINC000052677498 173345452 /nfs/dbraw/zinc/34/54/52/173345452.db2.gz ACZZLTUGUQRKDY-UHFFFAOYSA-N 1 0 243.350 3.608 10 0 BHAERO CC[NH2+]C[C@H](Oc1ccccc1C(C)C)C(C)C ZINC000052690870 170122530 /nfs/dbraw/zinc/12/25/30/170122530.db2.gz VGLCNBXBQNZVOI-INIZCTEOSA-N 1 0 249.398 3.823 10 0 BHAERO CC[NH2+]C[C@@H](Oc1ccccc1C(C)C)C(C)C ZINC000052690873 170120410 /nfs/dbraw/zinc/12/04/10/170120410.db2.gz VGLCNBXBQNZVOI-MRXNPFEDSA-N 1 0 249.398 3.823 10 0 BHAERO CCC[NH2+]C[C@@H](C)Oc1ccccc1C(C)C ZINC000052690920 169261992 /nfs/dbraw/zinc/26/19/92/169261992.db2.gz KLFNUBHGKFAGCT-CYBMUJFWSA-N 1 0 235.371 3.577 10 0 BHAERO CCC[NH2+]C[C@H](C)Oc1ccccc1C(C)C ZINC000052690921 169263282 /nfs/dbraw/zinc/26/32/82/169263282.db2.gz KLFNUBHGKFAGCT-ZDUSSCGKSA-N 1 0 235.371 3.577 10 0 BHAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccccc1C(C)C ZINC000052690941 167005150 /nfs/dbraw/zinc/00/51/50/167005150.db2.gz PTEGQHMWKJRRAB-CQSZACIVSA-N 1 0 249.398 3.823 10 0 BHAERO CC(C)C[NH2+]C[C@H](C)Oc1ccccc1C(C)C ZINC000052690943 167006846 /nfs/dbraw/zinc/00/68/46/167006846.db2.gz PTEGQHMWKJRRAB-AWEZNQCLSA-N 1 0 249.398 3.823 10 0 BHAERO CCC[NH2+]C[C@@H](CC)Oc1ccccc1C(C)C ZINC000052690958 169262827 /nfs/dbraw/zinc/26/28/27/169262827.db2.gz IQVASGNPZMEHJO-CQSZACIVSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+]C[C@H](CC)Oc1ccccc1C(C)C ZINC000052690961 169263832 /nfs/dbraw/zinc/26/38/32/169263832.db2.gz IQVASGNPZMEHJO-AWEZNQCLSA-N 1 0 249.398 3.967 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@@H](C)C[NH2+]C(C)C ZINC000052691491 170805981 /nfs/dbraw/zinc/80/59/81/170805981.db2.gz PAGDRFPAGRDNTB-KGLIPLIRSA-N 1 0 249.398 3.965 10 0 BHAERO CC[C@@H](C)c1ccccc1O[C@H](C)C[NH2+]C(C)C ZINC000052691496 170806294 /nfs/dbraw/zinc/80/62/94/170806294.db2.gz PAGDRFPAGRDNTB-ZIAGYGMSSA-N 1 0 249.398 3.965 10 0 BHAERO CC[C@H](C)c1ccccc1O[C@@H](CC)C[NH2+]C ZINC000052691540 170827640 /nfs/dbraw/zinc/82/76/40/170827640.db2.gz WRKHJWLFKYXXCE-STQMWFEESA-N 1 0 235.371 3.577 10 0 BHAERO CC[C@H](C)c1ccccc1O[C@H](C)CCC[NH2+]C ZINC000052691849 171413271 /nfs/dbraw/zinc/41/32/71/171413271.db2.gz DRJMUIAEGKNIFZ-UONOGXRCSA-N 1 0 249.398 3.967 10 0 BHAERO CCC[NH2+]CCCCCOc1ccccc1CC ZINC000052698557 169257254 /nfs/dbraw/zinc/25/72/54/169257254.db2.gz KZLRENMGCQKLRL-UHFFFAOYSA-N 1 0 249.398 3.798 10 0 BHAERO C[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C ZINC000052698773 173345197 /nfs/dbraw/zinc/34/51/97/173345197.db2.gz NICCZAJVYQNGLF-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO Cc1cc(C(C)(C)C)ccc1O[C@H](C[NH3+])C(C)C ZINC000052698837 177828670 /nfs/dbraw/zinc/82/86/70/177828670.db2.gz HHCNLPFSEDCLRB-OAHLLOKOSA-N 1 0 249.398 3.655 10 0 BHAERO C[NH2+]C[C@@H](Oc1cccc(C(C)(C)C)c1)C(C)C ZINC000052698901 173367129 /nfs/dbraw/zinc/36/71/29/173367129.db2.gz PXFADZVJTGGYTM-OAHLLOKOSA-N 1 0 249.398 3.607 10 0 BHAERO C[NH2+]C[C@H](Oc1cccc(C(C)(C)C)c1)C(C)C ZINC000052698904 173377921 /nfs/dbraw/zinc/37/79/21/173377921.db2.gz PXFADZVJTGGYTM-HNNXBMFYSA-N 1 0 249.398 3.607 10 0 BHAERO CC(C)[NH2+]C[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000052698941 167111161 /nfs/dbraw/zinc/11/11/61/167111161.db2.gz PYAAWHWUZHJTIS-CYBMUJFWSA-N 1 0 249.398 3.749 10 0 BHAERO CC(C)[NH2+]C[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000052698944 167114009 /nfs/dbraw/zinc/11/40/09/167114009.db2.gz PYAAWHWUZHJTIS-ZDUSSCGKSA-N 1 0 249.398 3.749 10 0 BHAERO CC[NH2+]C[C@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000052698965 170121543 /nfs/dbraw/zinc/12/15/43/170121543.db2.gz GKOSZXWRFYOJAV-AWEZNQCLSA-N 1 0 249.398 3.751 10 0 BHAERO CC[NH2+]C[C@@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000052698967 170118829 /nfs/dbraw/zinc/11/88/29/170118829.db2.gz GKOSZXWRFYOJAV-CQSZACIVSA-N 1 0 249.398 3.751 10 0 BHAERO C[NH2+]C[C@H](Oc1cc(C(C)C)ccc1C)C(C)C ZINC000052702767 173377927 /nfs/dbraw/zinc/37/79/27/173377927.db2.gz SJMYTZVKKDXOQP-INIZCTEOSA-N 1 0 249.398 3.741 10 0 BHAERO C[NH2+]C[C@@H](Oc1cc(C(C)C)ccc1C)C(C)C ZINC000052702770 173366776 /nfs/dbraw/zinc/36/67/76/173366776.db2.gz SJMYTZVKKDXOQP-MRXNPFEDSA-N 1 0 249.398 3.741 10 0 BHAERO CCCNc1cc(C[N@H+](CCC)C(C)C)ccn1 ZINC000052719767 169293649 /nfs/dbraw/zinc/29/36/49/169293649.db2.gz NNEVGDOWODBXKH-UHFFFAOYSA-N 1 0 249.402 3.524 10 0 BHAERO CCCNc1cc(C[N@H+](C)C(CC)CC)ccn1 ZINC000052721399 169293670 /nfs/dbraw/zinc/29/36/70/169293670.db2.gz VAHDCOMIICFICL-UHFFFAOYSA-N 1 0 249.402 3.524 10 0 BHAERO Cc1ccc(C)c(SCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765355 178493167 /nfs/dbraw/zinc/49/31/67/178493167.db2.gz ZWDZSBNYQKQYHU-CQSZACIVSA-N 1 0 249.423 3.928 10 0 BHAERO Cc1cc(C[NH2+]C2CCCCCCC2)c(C)n1C ZINC000052789558 178019286 /nfs/dbraw/zinc/01/92/86/178019286.db2.gz PWFDAOPSBIVHFS-UHFFFAOYSA-N 1 0 248.414 3.844 10 0 BHAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C)n1C ZINC000052789630 178033342 /nfs/dbraw/zinc/03/33/42/178033342.db2.gz ADWMDNKSAQRZEL-DETPVDSQSA-N 1 0 248.414 3.556 10 0 BHAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)n1C ZINC000052789632 178033119 /nfs/dbraw/zinc/03/31/19/178033119.db2.gz ADWMDNKSAQRZEL-PVXIVEMSSA-N 1 0 248.414 3.556 10 0 BHAERO Cc1cc(C[NH2+]CCC2CCCCC2)c(C)n1C ZINC000052790294 178021091 /nfs/dbraw/zinc/02/10/91/178021091.db2.gz JOZPRVZILDGXEY-UHFFFAOYSA-N 1 0 248.414 3.702 10 0 BHAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c(C)n1C ZINC000052790490 178022222 /nfs/dbraw/zinc/02/22/22/178022222.db2.gz GCBFLYXBXJTDRC-WFASDCNBSA-N 1 0 248.414 3.558 10 0 BHAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c(C)n1C ZINC000052790491 178025236 /nfs/dbraw/zinc/02/52/36/178025236.db2.gz GCBFLYXBXJTDRC-SWLSCSKDSA-N 1 0 248.414 3.558 10 0 BHAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c(C)n1C ZINC000052790492 178022035 /nfs/dbraw/zinc/02/20/35/178022035.db2.gz GCBFLYXBXJTDRC-DOMZBBRYSA-N 1 0 248.414 3.558 10 0 BHAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C)c(C)n1C ZINC000052790493 178025473 /nfs/dbraw/zinc/02/54/73/178025473.db2.gz GCBFLYXBXJTDRC-IUODEOHRSA-N 1 0 248.414 3.558 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CCCC[C@@H]1C ZINC000052842186 180081492 /nfs/dbraw/zinc/08/14/92/180081492.db2.gz KXVHUKMBLCDPGV-IINYFYTJSA-N 1 0 243.354 3.678 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@H]1CCCC[C@@H]1C ZINC000052842188 180081555 /nfs/dbraw/zinc/08/15/55/180081555.db2.gz KXVHUKMBLCDPGV-HZMBPMFUSA-N 1 0 243.354 3.678 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CCCC[C@H]1C ZINC000052842190 180082550 /nfs/dbraw/zinc/08/25/50/180082550.db2.gz KXVHUKMBLCDPGV-QMTHXVAHSA-N 1 0 243.354 3.678 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@H]1CCCC[C@H]1C ZINC000052842192 180082588 /nfs/dbraw/zinc/08/25/88/180082588.db2.gz KXVHUKMBLCDPGV-YGRLFVJLSA-N 1 0 243.354 3.678 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)CC(C)C ZINC000052852586 180081656 /nfs/dbraw/zinc/08/16/56/180081656.db2.gz CNNLKDQLUPNAAW-JTQLQIEISA-N 1 0 231.343 3.534 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)CC(C)C ZINC000052852587 180081295 /nfs/dbraw/zinc/08/12/95/180081295.db2.gz CNNLKDQLUPNAAW-SNVBAGLBSA-N 1 0 231.343 3.534 10 0 BHAERO Cc1[nH+]c2cc(N)ccc2n1CCC1CCCC1 ZINC000052853150 180081241 /nfs/dbraw/zinc/08/12/41/180081241.db2.gz BAMQUWSALIWQCE-UHFFFAOYSA-N 1 0 243.354 3.507 10 0 BHAERO CCC[C@@H](CC)n1c2ccc(N)cc2[nH+]c1CC ZINC000052853330 169381732 /nfs/dbraw/zinc/38/17/32/169381732.db2.gz NXIBGTXWFMUEDH-GFCCVEGCSA-N 1 0 245.370 3.932 10 0 BHAERO [NH3+]Cc1cc(Cl)ccc1Oc1ccccc1 ZINC000052858202 344671860 /nfs/dbraw/zinc/67/18/60/344671860.db2.gz MLQVIWUIMMTTMT-UHFFFAOYSA-N 1 0 233.698 3.591 10 0 BHAERO [NH3+]Cc1cc(Cl)ccc1Sc1ccccc1 ZINC000052858646 344671881 /nfs/dbraw/zinc/67/18/81/344671881.db2.gz WCBCCNLIVGCPRN-UHFFFAOYSA-N 1 0 249.766 3.950 10 0 BHAERO CC(C)[NH2+]Cc1ccc(-c2ccccc2F)cc1 ZINC000052887767 167119667 /nfs/dbraw/zinc/11/96/67/167119667.db2.gz RWDBYNMCMCLTET-UHFFFAOYSA-N 1 0 243.325 3.991 10 0 BHAERO CC[NH2+]Cc1ccccc1-c1ccccc1F ZINC000052887793 170128115 /nfs/dbraw/zinc/12/81/15/170128115.db2.gz SUXLLABWZXWAGK-UHFFFAOYSA-N 1 0 229.298 3.602 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccccc2F)cc1F ZINC000052887807 170126630 /nfs/dbraw/zinc/12/66/30/170126630.db2.gz SJBWDZGXGZVKDG-UHFFFAOYSA-N 1 0 247.288 3.741 10 0 BHAERO CCCOc1ccc2c(c1)[C@H](C(C)(C)C)[NH2+]CC2 ZINC000052919914 169323252 /nfs/dbraw/zinc/32/32/52/169323252.db2.gz LCUFQWRKMQQSIL-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CCCOc1ccc2c(c1)[C@@H](C(C)(C)C)[NH2+]CC2 ZINC000052919916 169323481 /nfs/dbraw/zinc/32/34/81/169323481.db2.gz LCUFQWRKMQQSIL-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CCCOc1ccc2c(c1)[C@H](CC(C)C)[NH2+]CC2 ZINC000052919920 169323168 /nfs/dbraw/zinc/32/31/68/169323168.db2.gz RXXLOVLPLLMXBU-INIZCTEOSA-N 1 0 247.382 3.708 10 0 BHAERO CCCOc1ccc2c(c1)[C@@H](CC(C)C)[NH2+]CC2 ZINC000052919921 169323020 /nfs/dbraw/zinc/32/30/20/169323020.db2.gz RXXLOVLPLLMXBU-MRXNPFEDSA-N 1 0 247.382 3.708 10 0 BHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2C)o1 ZINC000052924281 173448715 /nfs/dbraw/zinc/44/87/15/173448715.db2.gz OFRPIVYWGZGMLS-SNVBAGLBSA-N 1 0 233.286 3.675 10 0 BHAERO CCCc1ccccc1-c1ccc([C@H](C)[NH3+])o1 ZINC000052924602 169577698 /nfs/dbraw/zinc/57/76/98/169577698.db2.gz RLDHOSGBORHWRS-NSHDSACASA-N 1 0 229.323 3.919 10 0 BHAERO COc1ccc(C)cc1[C@H]([NH3+])C1=CCCCC1 ZINC000052943573 175082349 /nfs/dbraw/zinc/08/23/49/175082349.db2.gz QGWLFCLHWGBPQR-OAHLLOKOSA-N 1 0 231.339 3.504 10 0 BHAERO COc1ccc(C)cc1[C@@H]([NH3+])C1=CCCCC1 ZINC000052943574 175080055 /nfs/dbraw/zinc/08/00/55/175080055.db2.gz QGWLFCLHWGBPQR-HNNXBMFYSA-N 1 0 231.339 3.504 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1cc(C)ccc1OC ZINC000052943583 170161170 /nfs/dbraw/zinc/16/11/70/170161170.db2.gz KJSKNPRYWZGEQK-MRXNPFEDSA-N 1 0 245.366 3.765 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1cc(C)ccc1OC ZINC000052943584 170143192 /nfs/dbraw/zinc/14/31/92/170143192.db2.gz KJSKNPRYWZGEQK-INIZCTEOSA-N 1 0 245.366 3.765 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccco1 ZINC000052944587 344994118 /nfs/dbraw/zinc/99/41/18/344994118.db2.gz RPPVKXIYEHRCIB-ZDUSSCGKSA-N 1 0 249.741 3.826 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccco1 ZINC000052944588 344994148 /nfs/dbraw/zinc/99/41/48/344994148.db2.gz RPPVKXIYEHRCIB-CYBMUJFWSA-N 1 0 249.741 3.826 10 0 BHAERO Cc1ccc(CCC[NH2+]Cc2cccs2)cc1 ZINC000052945848 187610769 /nfs/dbraw/zinc/61/07/69/187610769.db2.gz MPOUKQAPRWFCEQ-UHFFFAOYSA-N 1 0 245.391 3.779 10 0 BHAERO CC(C)(C)CC[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000052947574 166574674 /nfs/dbraw/zinc/57/46/74/166574674.db2.gz LFTXBLDBHUGODE-CYBMUJFWSA-N 1 0 237.362 3.769 10 0 BHAERO CCC[C@@H](C)C[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000052947934 169361295 /nfs/dbraw/zinc/36/12/95/169361295.db2.gz LQRZJOGAWFGBQS-OCCSQVGLSA-N 1 0 237.362 3.769 10 0 BHAERO CCC[C@H](C)C[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000052947935 169484956 /nfs/dbraw/zinc/48/49/56/169484956.db2.gz LQRZJOGAWFGBQS-JSGCOSHPSA-N 1 0 237.362 3.769 10 0 BHAERO CCC[C@@H](C)C[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000052947936 169361682 /nfs/dbraw/zinc/36/16/82/169361682.db2.gz LQRZJOGAWFGBQS-TZMCWYRMSA-N 1 0 237.362 3.769 10 0 BHAERO Cc1ccccc1C[C@H](C[NH3+])CC1CCCC1 ZINC000052948263 179292385 /nfs/dbraw/zinc/29/23/85/179292385.db2.gz WKTPPGDIKFBSBW-OAHLLOKOSA-N 1 0 231.383 3.693 10 0 BHAERO Cc1ccccc1C[C@@H](C[NH3+])CC1CCCC1 ZINC000052948264 179289703 /nfs/dbraw/zinc/28/97/03/179289703.db2.gz WKTPPGDIKFBSBW-HNNXBMFYSA-N 1 0 231.383 3.693 10 0 BHAERO CCC[C@@H](C)C[C@H](C[NH3+])Cc1ccccc1F ZINC000052948393 169361410 /nfs/dbraw/zinc/36/14/10/169361410.db2.gz YSUGXPRNLXCQDI-OLZOCXBDSA-N 1 0 237.362 3.769 10 0 BHAERO CCC[C@@H](C)C[C@@H](C[NH3+])Cc1ccccc1F ZINC000052948396 169361666 /nfs/dbraw/zinc/36/16/66/169361666.db2.gz YSUGXPRNLXCQDI-CHWSQXEVSA-N 1 0 237.362 3.769 10 0 BHAERO COc1ccccc1C[C@@H](C[NH3+])CCC(C)(C)C ZINC000052948906 175332430 /nfs/dbraw/zinc/33/24/30/175332430.db2.gz SMSNJZSRGMVWMK-ZDUSSCGKSA-N 1 0 249.398 3.639 10 0 BHAERO COc1ccccc1C[C@H](C[NH3+])CCC(C)(C)C ZINC000052948909 175333972 /nfs/dbraw/zinc/33/39/72/175333972.db2.gz SMSNJZSRGMVWMK-CYBMUJFWSA-N 1 0 249.398 3.639 10 0 BHAERO Cc1cc(C)cc(CCC[NH2+]C(C)(C)C)c1 ZINC000052949527 177896296 /nfs/dbraw/zinc/89/62/96/177896296.db2.gz DTCIDLBXJJNSMJ-UHFFFAOYSA-N 1 0 219.372 3.624 10 0 BHAERO CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000052954000 170119474 /nfs/dbraw/zinc/11/94/74/170119474.db2.gz QCLWRBAJAIGZEK-ZDUSSCGKSA-N 1 0 233.399 3.772 10 0 BHAERO CC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000052954003 170122251 /nfs/dbraw/zinc/12/22/51/170122251.db2.gz QCLWRBAJAIGZEK-CYBMUJFWSA-N 1 0 233.399 3.772 10 0 BHAERO COc1ccc(C)cc1C[C@H](C)C[NH2+]C(C)(C)C ZINC000052967030 175077055 /nfs/dbraw/zinc/07/70/55/175077055.db2.gz FCCPOGZDHDSAMP-ZDUSSCGKSA-N 1 0 249.398 3.570 10 0 BHAERO Cc1ccc(C[C@@H](C)C[NH2+]C(C)(C)C)cc1C ZINC000052967147 178647257 /nfs/dbraw/zinc/64/72/57/178647257.db2.gz AIGXRKBEWMLITD-GFCCVEGCSA-N 1 0 233.399 3.870 10 0 BHAERO Cc1ccc(C[C@H](C)C[NH2+]C(C)(C)C)cc1C ZINC000052967150 178650869 /nfs/dbraw/zinc/65/08/69/178650869.db2.gz AIGXRKBEWMLITD-LBPRGKRZSA-N 1 0 233.399 3.870 10 0 BHAERO C[NH2+]C[C@H](CCCc1ccccc1)CC(C)C ZINC000052967850 173376089 /nfs/dbraw/zinc/37/60/89/173376089.db2.gz UNIRJAUVXKCACY-MRXNPFEDSA-N 1 0 233.399 3.891 10 0 BHAERO C[NH2+]C[C@@H](CCCc1ccccc1)CC(C)C ZINC000052967853 173364952 /nfs/dbraw/zinc/36/49/52/173364952.db2.gz UNIRJAUVXKCACY-INIZCTEOSA-N 1 0 233.399 3.891 10 0 BHAERO CC[NH2+]C[C@@H](Cc1cccc(F)c1)CC(C)C ZINC000052967948 170118933 /nfs/dbraw/zinc/11/89/33/170118933.db2.gz IRDUBHJDCBBDNN-CQSZACIVSA-N 1 0 237.362 3.640 10 0 BHAERO CC[NH2+]C[C@H](Cc1cccc(F)c1)CC(C)C ZINC000052967950 170122125 /nfs/dbraw/zinc/12/21/25/170122125.db2.gz IRDUBHJDCBBDNN-AWEZNQCLSA-N 1 0 237.362 3.640 10 0 BHAERO CC[NH2+]C[C@@H](Cc1ccc(F)cc1)CC(C)C ZINC000052967957 170118715 /nfs/dbraw/zinc/11/87/15/170118715.db2.gz YSRXDAJMMYDLCJ-CQSZACIVSA-N 1 0 237.362 3.640 10 0 BHAERO CC[NH2+]C[C@H](Cc1ccc(F)cc1)CC(C)C ZINC000052967959 170122200 /nfs/dbraw/zinc/12/22/00/170122200.db2.gz YSRXDAJMMYDLCJ-AWEZNQCLSA-N 1 0 237.362 3.640 10 0 BHAERO CC[NH2+]C[C@@H](CCOCCC(C)C)CC(C)C ZINC000052968042 170119102 /nfs/dbraw/zinc/11/91/02/170119102.db2.gz QKNROPVTKLZMFI-HNNXBMFYSA-N 1 0 243.435 3.711 10 0 BHAERO CC[NH2+]C[C@H](CCOCCC(C)C)CC(C)C ZINC000052968044 170121841 /nfs/dbraw/zinc/12/18/41/170121841.db2.gz QKNROPVTKLZMFI-OAHLLOKOSA-N 1 0 243.435 3.711 10 0 BHAERO CC[NH2+]C[C@@H](Cc1ccccc1OC)CC(C)C ZINC000052968083 170119208 /nfs/dbraw/zinc/11/92/08/170119208.db2.gz WKSLLZQJAQZXIR-CQSZACIVSA-N 1 0 249.398 3.510 10 0 BHAERO CC[NH2+]C[C@H](Cc1ccccc1OC)CC(C)C ZINC000052968085 170122295 /nfs/dbraw/zinc/12/22/95/170122295.db2.gz WKSLLZQJAQZXIR-AWEZNQCLSA-N 1 0 249.398 3.510 10 0 BHAERO Cc1ccccc1C[C@H](C[NH2+]C1CC1)CC(C)C ZINC000052968507 179292467 /nfs/dbraw/zinc/29/24/67/179292467.db2.gz YFUIUPBSICJMKO-OAHLLOKOSA-N 1 0 245.410 3.952 10 0 BHAERO Cc1ccccc1C[C@@H](C[NH2+]C1CC1)CC(C)C ZINC000052968510 179289863 /nfs/dbraw/zinc/28/98/63/179289863.db2.gz YFUIUPBSICJMKO-HNNXBMFYSA-N 1 0 245.410 3.952 10 0 BHAERO CC(C)C[NH2+]C[C@H](CCOC(C)C)CC(C)C ZINC000052968867 167006209 /nfs/dbraw/zinc/00/62/09/167006209.db2.gz UOCDBTWQCWONRS-OAHLLOKOSA-N 1 0 243.435 3.709 10 0 BHAERO CC(C)C[NH2+]C[C@@H](CCOC(C)C)CC(C)C ZINC000052968869 167004977 /nfs/dbraw/zinc/00/49/77/167004977.db2.gz UOCDBTWQCWONRS-HNNXBMFYSA-N 1 0 243.435 3.709 10 0 BHAERO CCC[C@@H](C[NH2+]C)Cc1ccc(C(C)C)cc1 ZINC000052969114 169384757 /nfs/dbraw/zinc/38/47/57/169384757.db2.gz LGUYGRPUKMEODA-OAHLLOKOSA-N 1 0 233.399 3.988 10 0 BHAERO CCC[C@@H](C[NH2+]CC)Cc1cc(C)ccc1OC ZINC000052969613 169384459 /nfs/dbraw/zinc/38/44/59/169384459.db2.gz RPIOKYAMERQPQZ-CQSZACIVSA-N 1 0 249.398 3.572 10 0 BHAERO CCC[NH2+]C[C@@H](CCC)Cc1cccc(OC)c1 ZINC000052969820 169262379 /nfs/dbraw/zinc/26/23/79/169262379.db2.gz UHOCQTJAPOOGFO-HNNXBMFYSA-N 1 0 249.398 3.654 10 0 BHAERO CCC[NH2+]C[C@H](CCC)Cc1cccc(OC)c1 ZINC000052969822 169263124 /nfs/dbraw/zinc/26/31/24/169263124.db2.gz UHOCQTJAPOOGFO-OAHLLOKOSA-N 1 0 249.398 3.654 10 0 BHAERO CCC[NH2+]C[C@@H](CCC)Cc1ccccc1C ZINC000052969870 169262807 /nfs/dbraw/zinc/26/28/07/169262807.db2.gz MGILMPZRZTYKSK-HNNXBMFYSA-N 1 0 233.399 3.953 10 0 BHAERO CCC[NH2+]C[C@H](CCC)Cc1ccccc1C ZINC000052969874 169263936 /nfs/dbraw/zinc/26/39/36/169263936.db2.gz MGILMPZRZTYKSK-OAHLLOKOSA-N 1 0 233.399 3.953 10 0 BHAERO CCC[NH2+]C[C@@H](CCC)CCOc1ccccc1 ZINC000052969966 169262899 /nfs/dbraw/zinc/26/28/99/169262899.db2.gz OUZAJTXIAMTFCZ-HNNXBMFYSA-N 1 0 249.398 3.871 10 0 BHAERO CCC[NH2+]C[C@H](CCC)CCOc1ccccc1 ZINC000052969967 169264123 /nfs/dbraw/zinc/26/41/23/169264123.db2.gz OUZAJTXIAMTFCZ-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO CCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1F ZINC000052970041 169385202 /nfs/dbraw/zinc/38/52/02/169385202.db2.gz PAMKAFJYLGBTAM-CYBMUJFWSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[C@@H](C[NH2+]C(C)C)Cc1cccc(OC)c1 ZINC000052970061 169384487 /nfs/dbraw/zinc/38/44/87/169384487.db2.gz YGGKSWUUQZHKBR-OAHLLOKOSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[C@@H](C[NH2+]C(C)C)Cc1ccc(F)cc1 ZINC000052970103 169384867 /nfs/dbraw/zinc/38/48/67/169384867.db2.gz SUEXTOTULGMYBU-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[C@@H](CCOCCC(C)C)C[NH2+]C(C)C ZINC000052970206 169383170 /nfs/dbraw/zinc/38/31/70/169383170.db2.gz HULMAODLCVHAGY-HNNXBMFYSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000052970385 169384690 /nfs/dbraw/zinc/38/46/90/169384690.db2.gz PJJUIZDJNKIKRY-CYBMUJFWSA-N 1 0 235.346 3.537 10 0 BHAERO CCCCOCC[C@H](CCC)C[NH2+]CC(C)C ZINC000052970923 168904901 /nfs/dbraw/zinc/90/49/01/168904901.db2.gz ZYXUFNJRGZMOCS-HNNXBMFYSA-N 1 0 243.435 3.855 10 0 BHAERO CC[NH2+]C[C@@H](CCCc1ccccc1)C(C)C ZINC000052971761 170118884 /nfs/dbraw/zinc/11/88/84/170118884.db2.gz AHZNYCJCXMCCAT-MRXNPFEDSA-N 1 0 233.399 3.891 10 0 BHAERO CC[NH2+]C[C@H](CCCc1ccccc1)C(C)C ZINC000052971764 170121734 /nfs/dbraw/zinc/12/17/34/170121734.db2.gz AHZNYCJCXMCCAT-INIZCTEOSA-N 1 0 233.399 3.891 10 0 BHAERO CCC[NH2+]C[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000052971901 169262029 /nfs/dbraw/zinc/26/20/29/169262029.db2.gz XFKQEKBZINBZIY-CQSZACIVSA-N 1 0 237.362 3.640 10 0 BHAERO CCC[NH2+]C[C@H](Cc1ccc(F)cc1)C(C)C ZINC000052971905 169263728 /nfs/dbraw/zinc/26/37/28/169263728.db2.gz XFKQEKBZINBZIY-AWEZNQCLSA-N 1 0 237.362 3.640 10 0 BHAERO CCC[NH2+]C[C@@H](CCOCCC(C)C)C(C)C ZINC000052972025 169262526 /nfs/dbraw/zinc/26/25/26/169262526.db2.gz VBQHYXXHKISSEJ-OAHLLOKOSA-N 1 0 243.435 3.711 10 0 BHAERO CCC[NH2+]C[C@H](CCOCCC(C)C)C(C)C ZINC000052972028 169263757 /nfs/dbraw/zinc/26/37/57/169263757.db2.gz VBQHYXXHKISSEJ-HNNXBMFYSA-N 1 0 243.435 3.711 10 0 BHAERO CC(C)[NH2+]C[C@H](Cc1ccccc1F)C(C)C ZINC000052972128 167113273 /nfs/dbraw/zinc/11/32/73/167113273.db2.gz HBYUVEZTVZKMAM-AWEZNQCLSA-N 1 0 237.362 3.638 10 0 BHAERO CC(C)[NH2+]C[C@@H](Cc1ccccc1F)C(C)C ZINC000052972130 167111590 /nfs/dbraw/zinc/11/15/90/167111590.db2.gz HBYUVEZTVZKMAM-CQSZACIVSA-N 1 0 237.362 3.638 10 0 BHAERO Cc1ccc(C)c(C[C@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052972536 178476794 /nfs/dbraw/zinc/47/67/94/178476794.db2.gz ZCTIVKLUXLWZMR-MRXNPFEDSA-N 1 0 245.410 3.870 10 0 BHAERO CC[C@H](C[NH2+]C)Cc1cccc2ccccc21 ZINC000052972826 171436535 /nfs/dbraw/zinc/43/65/35/171436535.db2.gz WTFWSMLQDWFTJR-ZDUSSCGKSA-N 1 0 227.351 3.628 10 0 BHAERO CC[NH2+]C[C@@H](CC)Cc1ccc(C(C)C)cc1 ZINC000052973167 170118824 /nfs/dbraw/zinc/11/88/24/170118824.db2.gz DCIURFGHHZKLJA-AWEZNQCLSA-N 1 0 233.399 3.988 10 0 BHAERO CC[NH2+]C[C@H](CC)Cc1ccc(C(C)C)cc1 ZINC000052973169 170121860 /nfs/dbraw/zinc/12/18/60/170121860.db2.gz DCIURFGHHZKLJA-CQSZACIVSA-N 1 0 233.399 3.988 10 0 BHAERO CCC[NH2+]C[C@@H](CC)Cc1cc(C)ccc1OC ZINC000052973436 169262198 /nfs/dbraw/zinc/26/21/98/169262198.db2.gz ZDCNPAQMQIQREF-AWEZNQCLSA-N 1 0 249.398 3.572 10 0 BHAERO CCC[NH2+]C[C@H](CC)Cc1cc(C)ccc1OC ZINC000052973438 169263210 /nfs/dbraw/zinc/26/32/10/169263210.db2.gz ZDCNPAQMQIQREF-CQSZACIVSA-N 1 0 249.398 3.572 10 0 BHAERO CCC[NH2+]C[C@@H](CC)Cc1ccc(C)c(C)c1 ZINC000052973509 169262601 /nfs/dbraw/zinc/26/26/01/169262601.db2.gz URTFELDGYFSBKQ-HNNXBMFYSA-N 1 0 233.399 3.872 10 0 BHAERO CCC[NH2+]C[C@H](CC)Cc1ccc(C)c(C)c1 ZINC000052973511 169263912 /nfs/dbraw/zinc/26/39/12/169263912.db2.gz URTFELDGYFSBKQ-OAHLLOKOSA-N 1 0 233.399 3.872 10 0 BHAERO CC[C@@H](C[NH2+]CC(C)C)Cc1cccc(C)c1 ZINC000052974200 170827518 /nfs/dbraw/zinc/82/75/18/170827518.db2.gz RLXVWLFGQDXFED-OAHLLOKOSA-N 1 0 233.399 3.809 10 0 BHAERO CCCCC[C@H](C[NH2+]C)Cc1ccc(C)cc1 ZINC000052974317 168744554 /nfs/dbraw/zinc/74/45/54/168744554.db2.gz WZKNWRFNIUROJT-INIZCTEOSA-N 1 0 233.399 3.953 10 0 BHAERO C[NH2+]C[C@@H](Cc1ccc(C)cc1)CC1CCCC1 ZINC000052974407 173364736 /nfs/dbraw/zinc/36/47/36/173364736.db2.gz QLKJZVINBMTJHT-QGZVFWFLSA-N 1 0 245.410 3.953 10 0 BHAERO C[NH2+]C[C@H](Cc1ccc(C)cc1)CC1CCCC1 ZINC000052974408 173376024 /nfs/dbraw/zinc/37/60/24/173376024.db2.gz QLKJZVINBMTJHT-KRWDZBQOSA-N 1 0 245.410 3.953 10 0 BHAERO CCCC[C@H](C[NH2+]CC)Cc1ccc(C)cc1 ZINC000052974449 169003465 /nfs/dbraw/zinc/00/34/65/169003465.db2.gz XGCBOKXQGKJETO-INIZCTEOSA-N 1 0 233.399 3.953 10 0 BHAERO CC[C@H](C)C[C@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974776 171299111 /nfs/dbraw/zinc/29/91/11/171299111.db2.gz NZUHRAZKLJMJBR-JSGCOSHPSA-N 1 0 237.362 3.640 10 0 BHAERO CC[C@H](C)C[C@@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974778 171296191 /nfs/dbraw/zinc/29/61/91/171296191.db2.gz NZUHRAZKLJMJBR-GXTWGEPZSA-N 1 0 237.362 3.640 10 0 BHAERO C[NH2+]C[C@@H](Cc1ccc(F)cc1)CC1CCCC1 ZINC000052974798 173364623 /nfs/dbraw/zinc/36/46/23/173364623.db2.gz RIZVUXGQKSIAHQ-OAHLLOKOSA-N 1 0 249.373 3.784 10 0 BHAERO C[NH2+]C[C@H](Cc1ccc(F)cc1)CC1CCCC1 ZINC000052974800 173375868 /nfs/dbraw/zinc/37/58/68/173375868.db2.gz RIZVUXGQKSIAHQ-HNNXBMFYSA-N 1 0 249.373 3.784 10 0 BHAERO CCCC[C@H](C[NH2+]CC)Cc1ccc(F)cc1 ZINC000052974863 169003074 /nfs/dbraw/zinc/00/30/74/169003074.db2.gz WYSMRMPBUCNGOU-AWEZNQCLSA-N 1 0 237.362 3.784 10 0 BHAERO C[NH2+]C[C@@H](CCC(C)C)Cc1ccc(OC)cc1 ZINC000052975785 173364632 /nfs/dbraw/zinc/36/46/32/173364632.db2.gz SVCFBCNFNCQMCR-HNNXBMFYSA-N 1 0 249.398 3.510 10 0 BHAERO C[NH2+]C[C@H](CCC(C)C)Cc1ccc(OC)cc1 ZINC000052975786 173376049 /nfs/dbraw/zinc/37/60/49/173376049.db2.gz SVCFBCNFNCQMCR-OAHLLOKOSA-N 1 0 249.398 3.510 10 0 BHAERO CC[C@H](C)C[C@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000052975885 171299573 /nfs/dbraw/zinc/29/95/73/171299573.db2.gz YDGHWMBSDNLOJC-ZFWWWQNUSA-N 1 0 249.398 3.510 10 0 BHAERO CC[C@H](C)C[C@@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000052975888 171296602 /nfs/dbraw/zinc/29/66/02/171296602.db2.gz YDGHWMBSDNLOJC-DZGCQCFKSA-N 1 0 249.398 3.510 10 0 BHAERO CC[C@@H](C[NH2+]CC(C)C)Cc1ccc(OC)cc1 ZINC000052976229 170827644 /nfs/dbraw/zinc/82/76/44/170827644.db2.gz XMKFLLQXHBALLG-CQSZACIVSA-N 1 0 249.398 3.510 10 0 BHAERO C[NH2+]C[C@H](CCC(C)C)Cc1cccc(C)c1 ZINC000052976263 173375982 /nfs/dbraw/zinc/37/59/82/173375982.db2.gz MXLUPISZMQJPIE-MRXNPFEDSA-N 1 0 233.399 3.809 10 0 BHAERO C[NH2+]C[C@@H](CCC(C)C)Cc1cccc(C)c1 ZINC000052976266 173365045 /nfs/dbraw/zinc/36/50/45/173365045.db2.gz MXLUPISZMQJPIE-INIZCTEOSA-N 1 0 233.399 3.809 10 0 BHAERO CCCC[C@H](C[NH2+]CC)Cc1cccc(C)c1 ZINC000052976452 169003231 /nfs/dbraw/zinc/00/32/31/169003231.db2.gz OQWKYLNZHPXOII-INIZCTEOSA-N 1 0 233.399 3.953 10 0 BHAERO CCCC[C@@H](C[NH2+]CC)Cc1cccc(F)c1 ZINC000052977099 168963623 /nfs/dbraw/zinc/96/36/23/168963623.db2.gz FVJRBGUAXALXHO-CQSZACIVSA-N 1 0 237.362 3.784 10 0 BHAERO CC[C@H](C)C[C@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000052978312 171299355 /nfs/dbraw/zinc/29/93/55/171299355.db2.gz UXORPXCZDPZYQF-ZFWWWQNUSA-N 1 0 249.398 3.510 10 0 BHAERO CC[C@H](C)C[C@@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000052978315 171296106 /nfs/dbraw/zinc/29/61/06/171296106.db2.gz UXORPXCZDPZYQF-DZGCQCFKSA-N 1 0 249.398 3.510 10 0 BHAERO CC[C@H](C)C[C@H](C[NH2+]C)Cc1ccccc1C ZINC000052978669 171298869 /nfs/dbraw/zinc/29/88/69/171298869.db2.gz QHUZHLBAMCPGRX-ZFWWWQNUSA-N 1 0 233.399 3.809 10 0 BHAERO CC[C@H](C)C[C@@H](C[NH2+]C)Cc1ccccc1C ZINC000052978673 171296327 /nfs/dbraw/zinc/29/63/27/171296327.db2.gz QHUZHLBAMCPGRX-DZGCQCFKSA-N 1 0 233.399 3.809 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1cc(C)ccc1F ZINC000052982792 170160695 /nfs/dbraw/zinc/16/06/95/170160695.db2.gz VYXFRGXGFUHYBI-OAHLLOKOSA-N 1 0 233.330 3.895 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1cc(C)ccc1F ZINC000052982794 170142709 /nfs/dbraw/zinc/14/27/09/170142709.db2.gz VYXFRGXGFUHYBI-HNNXBMFYSA-N 1 0 233.330 3.895 10 0 BHAERO CC[C@@H]1[NH2+]C(CC)(CC)CO[C@H]1c1ccccc1 ZINC000053068465 171144608 /nfs/dbraw/zinc/14/46/08/171144608.db2.gz BCSVZFYTKVUBFQ-GJZGRUSLSA-N 1 0 247.382 3.685 10 0 BHAERO CC[C@@H]1[NH2+]C(CC)(CC)CO[C@@H]1c1ccccc1 ZINC000053068467 171145283 /nfs/dbraw/zinc/14/52/83/171145283.db2.gz BCSVZFYTKVUBFQ-LSDHHAIUSA-N 1 0 247.382 3.685 10 0 BHAERO CCCC[C@@H](CC)C[C@H]([NH3+])Cc1ccncc1 ZINC000053134934 168959251 /nfs/dbraw/zinc/95/92/51/168959251.db2.gz BBRRYAQKOBZSSW-HIFRSBDPSA-N 1 0 234.387 3.558 10 0 BHAERO CCCC[C@H](CC)C[C@@H]([NH3+])Cc1ccncc1 ZINC000053134946 169000171 /nfs/dbraw/zinc/00/01/71/169000171.db2.gz BBRRYAQKOBZSSW-DZGCQCFKSA-N 1 0 234.387 3.558 10 0 BHAERO CCCC[C@@H](CC)C[C@@H](Cc1ccncc1)[NH2+]C ZINC000053135414 168958806 /nfs/dbraw/zinc/95/88/06/168958806.db2.gz LFSYHNGDHBCODX-ZBFHGGJFSA-N 1 0 248.414 3.819 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)c1ccco1 ZINC000053138430 170146230 /nfs/dbraw/zinc/14/62/30/170146230.db2.gz IXEVOOSSEWLFTD-HNNXBMFYSA-N 1 0 243.350 3.790 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)c1ccco1 ZINC000053138433 170162262 /nfs/dbraw/zinc/16/22/62/170162262.db2.gz IXEVOOSSEWLFTD-OAHLLOKOSA-N 1 0 243.350 3.790 10 0 BHAERO CCC[C@@H](C)[C@@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000053139586 169372282 /nfs/dbraw/zinc/37/22/82/169372282.db2.gz ZGPXQCAVORGYNL-CZUORRHYSA-N 1 0 233.399 3.870 10 0 BHAERO CCC[C@H](C)[C@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000053139597 169495221 /nfs/dbraw/zinc/49/52/21/169495221.db2.gz ZGPXQCAVORGYNL-BBRMVZONSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)c1ccoc1 ZINC000053139812 170146279 /nfs/dbraw/zinc/14/62/79/170146279.db2.gz AQDVMKUUGPTJLD-INIZCTEOSA-N 1 0 243.350 3.790 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)c1ccoc1 ZINC000053139814 170162316 /nfs/dbraw/zinc/16/23/16/170162316.db2.gz AQDVMKUUGPTJLD-MRXNPFEDSA-N 1 0 243.350 3.790 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000053139874 169278838 /nfs/dbraw/zinc/27/88/38/169278838.db2.gz WBQVIUAULUHLHF-UAGQMJEPSA-N 1 0 245.410 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000053139878 169289231 /nfs/dbraw/zinc/28/92/31/169289231.db2.gz WBQVIUAULUHLHF-USXIJHARSA-N 1 0 245.410 3.870 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000053139883 169278965 /nfs/dbraw/zinc/27/89/65/169278965.db2.gz WBQVIUAULUHLHF-XIRDDKMYSA-N 1 0 245.410 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000053139886 169288847 /nfs/dbraw/zinc/28/88/47/169288847.db2.gz WBQVIUAULUHLHF-BHYGNILZSA-N 1 0 245.410 3.870 10 0 BHAERO C[NH2+][C@H](Cc1cc(C)ccc1C)C1=CCCC1 ZINC000053142900 173453459 /nfs/dbraw/zinc/45/34/59/173453459.db2.gz PTWCIKJVPSKYDH-MRXNPFEDSA-N 1 0 229.367 3.544 10 0 BHAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@@H]1C[C@@H]1C ZINC000053144407 169279768 /nfs/dbraw/zinc/27/97/68/169279768.db2.gz MNOGGTHMGJOUIF-UAGQMJEPSA-N 1 0 245.410 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1C[C@@H]1C ZINC000053144410 169289447 /nfs/dbraw/zinc/28/94/47/169289447.db2.gz MNOGGTHMGJOUIF-USXIJHARSA-N 1 0 245.410 3.870 10 0 BHAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1C[C@@H]1C ZINC000053144416 169289321 /nfs/dbraw/zinc/28/93/21/169289321.db2.gz MNOGGTHMGJOUIF-BHYGNILZSA-N 1 0 245.410 3.870 10 0 BHAERO CC[C@](C)([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000053146907 353844366 /nfs/dbraw/zinc/84/43/66/353844366.db2.gz ACRBZHUPCXZGBM-JTQLQIEISA-N 1 0 218.127 3.577 10 0 BHAERO CC[C@@](C)([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000053146909 353844214 /nfs/dbraw/zinc/84/42/14/353844214.db2.gz ACRBZHUPCXZGBM-SNVBAGLBSA-N 1 0 218.127 3.577 10 0 BHAERO CCC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000053148093 169359692 /nfs/dbraw/zinc/35/96/92/169359692.db2.gz MEXZSKLOOCBXSQ-LLVKDONJSA-N 1 0 225.763 3.866 10 0 BHAERO Cc1ccc(-c2csc([C@@H]3CCCC[NH2+]3)n2)o1 ZINC000053251869 178330368 /nfs/dbraw/zinc/33/03/68/178330368.db2.gz DNRUPTFVPQDFCH-JTQLQIEISA-N 1 0 248.351 3.526 10 0 BHAERO Cc1ccc(-c2csc([C@H]3CCCC[NH2+]3)n2)o1 ZINC000053251871 178330041 /nfs/dbraw/zinc/33/00/41/178330041.db2.gz DNRUPTFVPQDFCH-SNVBAGLBSA-N 1 0 248.351 3.526 10 0 BHAERO CC[NH2+]Cc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000053294417 170130855 /nfs/dbraw/zinc/13/08/55/170130855.db2.gz YXQKIAXRSJFXGC-UHFFFAOYSA-N 1 0 246.379 3.536 10 0 BHAERO CCC[NH2+]Cc1nc(-c2ccccc2)c(C)s1 ZINC000053294746 169269565 /nfs/dbraw/zinc/26/95/65/169269565.db2.gz FOKZXWQOAYETBI-UHFFFAOYSA-N 1 0 246.379 3.618 10 0 BHAERO CCc1ccc([C@@H]2CCCCC[NH2+]2)s1 ZINC000053298475 356416272 /nfs/dbraw/zinc/41/62/72/356416272.db2.gz IYORJIMTCRRWSZ-NSHDSACASA-N 1 0 209.358 3.515 10 0 BHAERO CCc1ccc([C@H]2CCCCC[NH2+]2)s1 ZINC000053298478 356416268 /nfs/dbraw/zinc/41/62/68/356416268.db2.gz IYORJIMTCRRWSZ-LLVKDONJSA-N 1 0 209.358 3.515 10 0 BHAERO CCC[NH2+][C@@H](C)CCc1c(C)cc(C)cc1C ZINC000053300377 169275309 /nfs/dbraw/zinc/27/53/09/169275309.db2.gz RELFQBHEYJDYMA-HNNXBMFYSA-N 1 0 233.399 3.933 10 0 BHAERO CCC[NH2+][C@H](C)CCc1c(C)cc(C)cc1C ZINC000053300379 169285826 /nfs/dbraw/zinc/28/58/26/169285826.db2.gz RELFQBHEYJDYMA-OAHLLOKOSA-N 1 0 233.399 3.933 10 0 BHAERO C[NH2+][C@@H](CCc1c(C)cc(C)cc1C)C(C)C ZINC000053300397 173422808 /nfs/dbraw/zinc/42/28/08/173422808.db2.gz JBDIJMZBIIZJCU-INIZCTEOSA-N 1 0 233.399 3.788 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1c(C)cc(C)cc1C ZINC000053300442 170150622 /nfs/dbraw/zinc/15/06/22/170150622.db2.gz TUPJVXMOHZDPLM-NVXWUHKLSA-N 1 0 245.410 3.933 10 0 BHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1c(C)cc(C)cc1C ZINC000053300443 170166419 /nfs/dbraw/zinc/16/64/19/170166419.db2.gz TUPJVXMOHZDPLM-WBVHZDCISA-N 1 0 245.410 3.933 10 0 BHAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1c(C)cc(C)cc1C ZINC000053300445 170151788 /nfs/dbraw/zinc/15/17/88/170151788.db2.gz TUPJVXMOHZDPLM-DOTOQJQBSA-N 1 0 245.410 3.933 10 0 BHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1c(C)cc(C)cc1C ZINC000053300446 170166800 /nfs/dbraw/zinc/16/68/00/170166800.db2.gz TUPJVXMOHZDPLM-RDJZCZTQSA-N 1 0 245.410 3.933 10 0 BHAERO CC[C@@H](C)[C@](C)([NH3+])Cc1c(C)cc(C)cc1C ZINC000053300750 170801642 /nfs/dbraw/zinc/80/16/42/170801642.db2.gz XCABDBJIKNYRJM-GDBMZVCRSA-N 1 0 233.399 3.918 10 0 BHAERO CC[C@@H](C)[C@@](C)([NH3+])Cc1c(C)cc(C)cc1C ZINC000053300757 170785079 /nfs/dbraw/zinc/78/50/79/170785079.db2.gz XCABDBJIKNYRJM-ZBFHGGJFSA-N 1 0 233.399 3.918 10 0 BHAERO CC[C@H](C)[C@@](C)([NH3+])Cc1c(C)cc(C)cc1C ZINC000053300759 187272572 /nfs/dbraw/zinc/27/25/72/187272572.db2.gz XCABDBJIKNYRJM-HOCLYGCPSA-N 1 0 233.399 3.918 10 0 BHAERO C[NH2+][C@H](Cc1c(C)cc(C)cc1C)CC(C)C ZINC000053301264 173453889 /nfs/dbraw/zinc/45/38/89/173453889.db2.gz LGHFUZPGCVMUAH-HNNXBMFYSA-N 1 0 233.399 3.788 10 0 BHAERO CCC[C@@H](Cc1c(C)cc(C)cc1C)[NH2+]CC ZINC000053301317 169385733 /nfs/dbraw/zinc/38/57/33/169385733.db2.gz QXVUWOGSXDEQPT-HNNXBMFYSA-N 1 0 233.399 3.933 10 0 BHAERO Cc1cc(C)c(CCC[NH2+]C(C)C)c(C)c1 ZINC000053301815 177856949 /nfs/dbraw/zinc/85/69/49/177856949.db2.gz MTTXPIMSSBXZTR-UHFFFAOYSA-N 1 0 219.372 3.542 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1cc(C)ccc1C ZINC000053303124 171192605 /nfs/dbraw/zinc/19/26/05/171192605.db2.gz BMPBORAOKVVEOW-QGZVFWFLSA-N 1 0 239.362 3.916 10 0 BHAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000053303360 178502355 /nfs/dbraw/zinc/50/23/55/178502355.db2.gz GNJAAFQCFRFKGN-MRXNPFEDSA-N 1 0 243.325 3.799 10 0 BHAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000053303362 178497276 /nfs/dbraw/zinc/49/72/76/178497276.db2.gz GNJAAFQCFRFKGN-INIZCTEOSA-N 1 0 243.325 3.799 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1ccc(C)c(C)c1 ZINC000053303653 171193039 /nfs/dbraw/zinc/19/30/39/171193039.db2.gz CGXOGYWVVWRQDD-QGZVFWFLSA-N 1 0 239.362 3.916 10 0 BHAERO C[NH2+]Cc1ccc(-c2cccc(C)c2C)cc1 ZINC000053327784 173388313 /nfs/dbraw/zinc/38/83/13/173388313.db2.gz XROSKTODLFKRIQ-UHFFFAOYSA-N 1 0 225.335 3.690 10 0 BHAERO Cc1cccc([C@](C)([NH3+])c2cccc(F)c2)c1C ZINC000053328571 179205737 /nfs/dbraw/zinc/20/57/37/179205737.db2.gz DIHUHIYUAJDJDG-MRXNPFEDSA-N 1 0 243.325 3.665 10 0 BHAERO Cc1cccc([C@@](C)([NH3+])c2cccc(F)c2)c1C ZINC000053328575 179192218 /nfs/dbraw/zinc/19/22/18/179192218.db2.gz DIHUHIYUAJDJDG-INIZCTEOSA-N 1 0 243.325 3.665 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1cccc(C)c1C ZINC000053328688 171192373 /nfs/dbraw/zinc/19/23/73/171192373.db2.gz DTVBPIRBUINYGY-QGZVFWFLSA-N 1 0 239.362 3.916 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccccc2C)c1C ZINC000053329485 179343674 /nfs/dbraw/zinc/34/36/74/179343674.db2.gz CULRKBRFVKMYIL-INIZCTEOSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccccc2C)c1C ZINC000053329490 179325038 /nfs/dbraw/zinc/32/50/38/179325038.db2.gz CULRKBRFVKMYIL-MRXNPFEDSA-N 1 0 225.335 3.660 10 0 BHAERO Cc1cccc([C@H]([NH3+])CCC(C)C)c1C ZINC000053330124 356626778 /nfs/dbraw/zinc/62/67/78/356626778.db2.gz ORIHPTBMWXKZQR-CQSZACIVSA-N 1 0 205.345 3.739 10 0 BHAERO Cc1cccc([C@@H]([NH3+])CCC(C)C)c1C ZINC000053330128 356627349 /nfs/dbraw/zinc/62/73/49/356627349.db2.gz ORIHPTBMWXKZQR-AWEZNQCLSA-N 1 0 205.345 3.739 10 0 BHAERO CCC[NH2+][C@@H](COCCC)c1cccc(C)c1C ZINC000053330250 169279875 /nfs/dbraw/zinc/27/98/75/169279875.db2.gz UGECPBFABIPFJJ-INIZCTEOSA-N 1 0 249.398 3.771 10 0 BHAERO CCC[NH2+][C@H](COCCC)c1cccc(C)c1C ZINC000053330254 169289117 /nfs/dbraw/zinc/28/91/17/169289117.db2.gz UGECPBFABIPFJJ-MRXNPFEDSA-N 1 0 249.398 3.771 10 0 BHAERO CCCc1ccc(O[C@@H](C)[C@@H](CC)[NH2+]CC)cc1 ZINC000053332695 169572322 /nfs/dbraw/zinc/57/23/22/169572322.db2.gz CPFIODXMVHSODC-XJKSGUPXSA-N 1 0 249.398 3.795 10 0 BHAERO CCCc1ccc(OCCCC[C@@H](C)[NH2+]C)cc1 ZINC000053332768 169572818 /nfs/dbraw/zinc/57/28/18/169572818.db2.gz YPUIDJDRSFWKCB-CQSZACIVSA-N 1 0 249.398 3.796 10 0 BHAERO CCCc1ccc(O[C@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000053333015 169572730 /nfs/dbraw/zinc/57/27/30/169572730.db2.gz RJEXXYLLRDLZLS-KCXAZCMYSA-N 1 0 247.382 3.534 10 0 BHAERO CCC[NH2+][C@H](C)[C@@H](C)Oc1ccc(CCC)cc1 ZINC000053333094 169285693 /nfs/dbraw/zinc/28/56/93/169285693.db2.gz AXXUIEZNKPWYNA-ZIAGYGMSSA-N 1 0 249.398 3.795 10 0 BHAERO CCC[NH2+][C@@H](C)[C@H](C)Oc1ccc(CCC)cc1 ZINC000053333098 169276241 /nfs/dbraw/zinc/27/62/41/169276241.db2.gz AXXUIEZNKPWYNA-KBPBESRZSA-N 1 0 249.398 3.795 10 0 BHAERO CCC[NH2+][C@@H](C)[C@@H](C)Oc1ccc(CCC)cc1 ZINC000053333100 169275634 /nfs/dbraw/zinc/27/56/34/169275634.db2.gz AXXUIEZNKPWYNA-UONOGXRCSA-N 1 0 249.398 3.795 10 0 BHAERO CCC[NH2+]CC(C)(C)Oc1ccc(CCC)cc1 ZINC000053335082 169255965 /nfs/dbraw/zinc/25/59/65/169255965.db2.gz RQERBOQDYKSLHJ-UHFFFAOYSA-N 1 0 249.398 3.796 10 0 BHAERO CCCc1ccc(O[C@H](C)C[NH2+]C(C)(C)C)cc1 ZINC000053335401 169572446 /nfs/dbraw/zinc/57/24/46/169572446.db2.gz ZBHNPSWKSTUMKL-CYBMUJFWSA-N 1 0 249.398 3.795 10 0 BHAERO CCCc1ccc(O[C@H](C)C[NH2+]CC(C)C)cc1 ZINC000053335408 169572829 /nfs/dbraw/zinc/57/28/29/169572829.db2.gz PVXOERGOUJPSNT-CQSZACIVSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@@H](CC[C@@H]1CCCO1)c1ccccc1 ZINC000053336412 169277710 /nfs/dbraw/zinc/27/77/10/169277710.db2.gz BMXIKBLMJAQYIT-HOTGVXAUSA-N 1 0 247.382 3.687 10 0 BHAERO CCC[NH2+][C@H](CC[C@@H]1CCCO1)c1ccccc1 ZINC000053336416 169289380 /nfs/dbraw/zinc/28/93/80/169289380.db2.gz BMXIKBLMJAQYIT-JKSUJKDBSA-N 1 0 247.382 3.687 10 0 BHAERO CCC[NH2+][C@@H](CC[C@H]1CCCO1)c1ccccc1 ZINC000053336419 169278081 /nfs/dbraw/zinc/27/80/81/169278081.db2.gz BMXIKBLMJAQYIT-CVEARBPZSA-N 1 0 247.382 3.687 10 0 BHAERO CCC[NH2+][C@H](CC[C@H]1CCCO1)c1ccccc1 ZINC000053336422 169288876 /nfs/dbraw/zinc/28/88/76/169288876.db2.gz BMXIKBLMJAQYIT-HZPDHXFCSA-N 1 0 247.382 3.687 10 0 BHAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1C[C@@H]1CCCO1 ZINC000053336988 169281949 /nfs/dbraw/zinc/28/19/49/169281949.db2.gz OPDLUZJFRXILEL-QLFBSQMISA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+][C@H]1CCCCC[C@@H]1C[C@@H]1CCCO1 ZINC000053336990 169290792 /nfs/dbraw/zinc/29/07/92/169290792.db2.gz OPDLUZJFRXILEL-ILXRZTDVSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+][C@@H]1CCCCC[C@H]1C[C@@H]1CCCO1 ZINC000053336994 169282325 /nfs/dbraw/zinc/28/23/25/169282325.db2.gz OPDLUZJFRXILEL-SOUVJXGZSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+][C@H]1CCCCC[C@H]1C[C@@H]1CCCO1 ZINC000053336996 169290759 /nfs/dbraw/zinc/29/07/59/169290759.db2.gz OPDLUZJFRXILEL-KKUMJFAQSA-N 1 0 239.403 3.504 10 0 BHAERO Cc1cccc(NCC[N@@H+](C)C2CCCCC2)c1 ZINC000053344056 179144989 /nfs/dbraw/zinc/14/49/89/179144989.db2.gz COQGAXPHZRGZRC-UHFFFAOYSA-N 1 0 246.398 3.671 10 0 BHAERO CCC(CC)[NH2+]CCN(CC)c1ccccc1C ZINC000053345492 168387355 /nfs/dbraw/zinc/38/73/55/168387355.db2.gz WEVZGULJJXOIGX-UHFFFAOYSA-N 1 0 248.414 3.600 10 0 BHAERO CCC(CC)[N@H+](C)CCNc1ccc(C)cc1 ZINC000053383906 168369100 /nfs/dbraw/zinc/36/91/00/168369100.db2.gz CQJGYBGSSQKFON-UHFFFAOYSA-N 1 0 234.387 3.527 10 0 BHAERO CCC(CC)[N@H+](C)CCNc1ccccc1C ZINC000053383936 168369763 /nfs/dbraw/zinc/36/97/63/168369763.db2.gz PTNCNXVXAZRKGC-UHFFFAOYSA-N 1 0 234.387 3.527 10 0 BHAERO CCC(CC)N(C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053384002 168369492 /nfs/dbraw/zinc/36/94/92/168369492.db2.gz CGWAEMHRIARECC-AWEZNQCLSA-N 1 0 242.451 3.521 10 0 BHAERO CCC(CC)N(C)CC[NH2+][C@H](C)CCC(C)C ZINC000053384004 168369504 /nfs/dbraw/zinc/36/95/04/168369504.db2.gz CGWAEMHRIARECC-CQSZACIVSA-N 1 0 242.451 3.521 10 0 BHAERO CCC[C@@H](C)[N@H+](C)CCNc1ccc(C)cc1 ZINC000053384335 169365300 /nfs/dbraw/zinc/36/53/00/169365300.db2.gz SEGILDACPRZWMT-CQSZACIVSA-N 1 0 234.387 3.527 10 0 BHAERO CCC[C@@H](C)[N@H+](C)CCNc1ccccc1C ZINC000053384386 169364824 /nfs/dbraw/zinc/36/48/24/169364824.db2.gz AZEAJNCXNDNNSF-CQSZACIVSA-N 1 0 234.387 3.527 10 0 BHAERO CCC[C@@H](C)N(C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053384496 169365675 /nfs/dbraw/zinc/36/56/75/169365675.db2.gz KLMZETJCGCITCE-LSDHHAIUSA-N 1 0 242.451 3.521 10 0 BHAERO Cc1ccc(NCC[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000053386942 178758794 /nfs/dbraw/zinc/75/87/94/178758794.db2.gz CUVZCNTTYOZIHY-CABCVRRESA-N 1 0 246.398 3.527 10 0 BHAERO Cc1ccccc1NCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000053386992 179305208 /nfs/dbraw/zinc/30/52/08/179305208.db2.gz GKDMASNUGSEGCC-ZFWWWQNUSA-N 1 0 246.398 3.527 10 0 BHAERO Cc1ccccc1NCC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000053386994 179304579 /nfs/dbraw/zinc/30/45/79/179304579.db2.gz GKDMASNUGSEGCC-HIFRSBDPSA-N 1 0 246.398 3.527 10 0 BHAERO CCC(CC)[NH2+]CCN(CC)c1cccc(C)c1 ZINC000053389181 168387437 /nfs/dbraw/zinc/38/74/37/168387437.db2.gz QHLHGIACYMSLGB-UHFFFAOYSA-N 1 0 248.414 3.600 10 0 BHAERO CCN(CC[NH2+]C(C)(C)CC)c1cccc(C)c1 ZINC000053389232 169843846 /nfs/dbraw/zinc/84/38/46/169843846.db2.gz RNCXMINIGSDVNH-UHFFFAOYSA-N 1 0 248.414 3.600 10 0 BHAERO CCC(CC)CN(CC)CC[NH2+]C(CC)CC ZINC000053430059 168348014 /nfs/dbraw/zinc/34/80/14/168348014.db2.gz FBSZVNXRCSQJRD-UHFFFAOYSA-N 1 0 242.451 3.523 10 0 BHAERO CCC(C)(C)[NH2+]CCN(C)c1cc(C)cc(C)c1 ZINC000053436626 168297657 /nfs/dbraw/zinc/29/76/57/168297657.db2.gz YEMQFSHRPBCARI-UHFFFAOYSA-N 1 0 248.414 3.518 10 0 BHAERO Cc1ccc(NCC[N@@H+](C)[C@H](C)CC(C)C)cc1 ZINC000053442689 178758455 /nfs/dbraw/zinc/75/84/55/178758455.db2.gz BBVUTHKKNKRSDP-OAHLLOKOSA-N 1 0 248.414 3.773 10 0 BHAERO Cc1cccc(NCC[N@@H+](CC(C)C)C(C)C)c1 ZINC000053443448 179145526 /nfs/dbraw/zinc/14/55/26/179145526.db2.gz SFPXBZDIPBBZGU-UHFFFAOYSA-N 1 0 248.414 3.773 10 0 BHAERO Cc1ccccc1NCC[N@@H+](CC(C)C)C(C)C ZINC000053443493 179304368 /nfs/dbraw/zinc/30/43/68/179304368.db2.gz PJCNTMILYHWIJO-UHFFFAOYSA-N 1 0 248.414 3.773 10 0 BHAERO CCC[NH+](CCC)[C@@H](C)CNc1ccccc1 ZINC000053487724 169149990 /nfs/dbraw/zinc/14/99/90/169149990.db2.gz PWPWJVOUNCCZFG-AWEZNQCLSA-N 1 0 234.387 3.609 10 0 BHAERO CCC[NH+](CCC)[C@H](C)CNc1ccccc1 ZINC000053487726 169152514 /nfs/dbraw/zinc/15/25/14/169152514.db2.gz PWPWJVOUNCCZFG-CQSZACIVSA-N 1 0 234.387 3.609 10 0 BHAERO CCC(CC)[NH2+]C[C@@H](C)N(C)[C@@H](C)C(C)(C)C ZINC000053494840 168389003 /nfs/dbraw/zinc/38/90/03/168389003.db2.gz CICZKUJERGQDDT-OLZOCXBDSA-N 1 0 242.451 3.520 10 0 BHAERO CCC(CC)[NH2+]C[C@H](C)N(C)[C@@H](C)C(C)(C)C ZINC000053494841 168388038 /nfs/dbraw/zinc/38/80/38/168388038.db2.gz CICZKUJERGQDDT-STQMWFEESA-N 1 0 242.451 3.520 10 0 BHAERO CC(C)C[NH2+]CCCCn1ccc2ccccc21 ZINC000053524369 167002907 /nfs/dbraw/zinc/00/29/07/167002907.db2.gz IRXMTIGOWAWRQA-UHFFFAOYSA-N 1 0 244.382 3.667 10 0 BHAERO CCC[C@@H](C)[NH2+]CCn1c(C)cc2ccccc21 ZINC000053525547 169369927 /nfs/dbraw/zinc/36/99/27/169369927.db2.gz DJOOHNILBIVSKV-CYBMUJFWSA-N 1 0 244.382 3.728 10 0 BHAERO CCC[C@H](C)[NH2+]CCn1c(C)cc2ccccc21 ZINC000053525551 169493395 /nfs/dbraw/zinc/49/33/95/169493395.db2.gz DJOOHNILBIVSKV-ZDUSSCGKSA-N 1 0 244.382 3.728 10 0 BHAERO CCC(C)(C)[NH2+]CCn1ccc2ccc(F)cc21 ZINC000053528202 168299033 /nfs/dbraw/zinc/29/90/33/168299033.db2.gz GMTAQQFDEHRAJJ-UHFFFAOYSA-N 1 0 248.345 3.559 10 0 BHAERO CCC[NH2+]CCCCn1ccc2ccc(C)cc21 ZINC000053528332 169256510 /nfs/dbraw/zinc/25/65/10/169256510.db2.gz BHYHTLCNAKKQQT-UHFFFAOYSA-N 1 0 244.382 3.730 10 0 BHAERO CCC(C)(C)[NH2+]CCn1ccc2ccc(C)cc21 ZINC000053528543 168299724 /nfs/dbraw/zinc/29/97/24/168299724.db2.gz VIJPYBOIIIRPDT-UHFFFAOYSA-N 1 0 244.382 3.728 10 0 BHAERO CCC[NH2+]CCCCn1ccc2c1cccc2C ZINC000053528676 169257329 /nfs/dbraw/zinc/25/73/29/169257329.db2.gz MDWHDLNRUZTJPC-UHFFFAOYSA-N 1 0 244.382 3.730 10 0 BHAERO Cc1cccc2c1ccn2CC[NH2+][C@@H](C)C(C)C ZINC000053528825 179225573 /nfs/dbraw/zinc/22/55/73/179225573.db2.gz HDPCQSJLPKLGFT-AWEZNQCLSA-N 1 0 244.382 3.584 10 0 BHAERO Cc1cccc2c1ccn2CC[NH2+][C@H](C)C(C)C ZINC000053528831 179225583 /nfs/dbraw/zinc/22/55/83/179225583.db2.gz HDPCQSJLPKLGFT-CQSZACIVSA-N 1 0 244.382 3.584 10 0 BHAERO CCC(C)(C)[NH2+]CCn1ccc2c1cccc2C ZINC000053528869 168299401 /nfs/dbraw/zinc/29/94/01/168299401.db2.gz ZBITUHWZKSZJGR-UHFFFAOYSA-N 1 0 244.382 3.728 10 0 BHAERO Cc1cccc2c1ccn2CCC[NH2+]CC(C)C ZINC000053528953 179225520 /nfs/dbraw/zinc/22/55/20/179225520.db2.gz RITGEHGBIQGPQN-UHFFFAOYSA-N 1 0 244.382 3.585 10 0 BHAERO Cc1cn(CC[NH2+]CCC(C)C)c2ccccc12 ZINC000053531657 179558719 /nfs/dbraw/zinc/55/87/19/179558719.db2.gz JFASNWLOVKBOGA-UHFFFAOYSA-N 1 0 244.382 3.585 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@@H](C)OC1CCC(C)CC1 ZINC000053552033 169370100 /nfs/dbraw/zinc/37/01/00/169370100.db2.gz BXRZMIUIACQLSM-PIOWNMBXSA-N 1 0 241.419 3.748 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@H](C)OC1CCC(C)CC1 ZINC000053552041 169369894 /nfs/dbraw/zinc/36/98/94/169369894.db2.gz BXRZMIUIACQLSM-FUUBYGMNSA-N 1 0 241.419 3.748 10 0 BHAERO CC[C@H]1CCCC[C@@H]1OCC[NH2+]C(C)(C)CC ZINC000053552930 171610779 /nfs/dbraw/zinc/61/07/79/171610779.db2.gz ZGFBLYVSCCCSBN-KBPBESRZSA-N 1 0 241.419 3.750 10 0 BHAERO CC[C@@H]1CCCC[C@H]1OCC[NH2+]C(C)(C)CC ZINC000053552934 170971418 /nfs/dbraw/zinc/97/14/18/170971418.db2.gz ZGFBLYVSCCCSBN-ZIAGYGMSSA-N 1 0 241.419 3.750 10 0 BHAERO CC(C)C[C@H](C)OCC[NH2+]CC1CCCCC1 ZINC000053558322 188300492 /nfs/dbraw/zinc/30/04/92/188300492.db2.gz LXJRTAQKERGZLT-AWEZNQCLSA-N 1 0 241.419 3.608 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+]CCO[C@@H](C)CC(C)C ZINC000053558703 166892888 /nfs/dbraw/zinc/89/28/88/166892888.db2.gz FPRUFDIXXBPDSV-CABCVRRESA-N 1 0 243.435 3.852 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+]CCO[C@H](C)CC(C)C ZINC000053558711 166891444 /nfs/dbraw/zinc/89/14/44/166891444.db2.gz FPRUFDIXXBPDSV-HUUCEWRRSA-N 1 0 243.435 3.852 10 0 BHAERO C/C=C/c1ccccc1OCC[NH2+][C@@H](C)C(C)C ZINC000053562800 187272093 /nfs/dbraw/zinc/27/20/93/187272093.db2.gz BGCUTRQKXDNJDV-GPAKFWEMSA-N 1 0 247.382 3.733 10 0 BHAERO C/C=C/c1ccccc1OCC[NH2+]C(C)(C)CC ZINC000053562836 187272565 /nfs/dbraw/zinc/27/25/65/187272565.db2.gz YWZILTKVADOFRD-WEVVVXLNSA-N 1 0 247.382 3.877 10 0 BHAERO Cc1cccc(C)c1OCC[NH2+]CCC(C)(C)C ZINC000053564296 179047070 /nfs/dbraw/zinc/04/70/70/179047070.db2.gz NPXKSQNIDCZONQ-UHFFFAOYSA-N 1 0 249.398 3.708 10 0 BHAERO CC[C@H](C)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000053564314 171339965 /nfs/dbraw/zinc/33/99/65/171339965.db2.gz JVUKOGWBLNMXRD-ZDUSSCGKSA-N 1 0 249.398 3.751 10 0 BHAERO CCC(CC)[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000053564768 168388760 /nfs/dbraw/zinc/38/87/60/168388760.db2.gz KESOQGNNUDIUFJ-UHFFFAOYSA-N 1 0 249.398 3.967 10 0 BHAERO Cc1cccc(O[C@@H](C)C[NH2+]CCC(C)C)c1C ZINC000053565365 179173727 /nfs/dbraw/zinc/17/37/27/179173727.db2.gz QGAGBZZJOCIHRU-AWEZNQCLSA-N 1 0 249.398 3.706 10 0 BHAERO Cc1cccc(O[C@H](C)C[NH2+]CCC(C)C)c1C ZINC000053565366 179174700 /nfs/dbraw/zinc/17/47/00/179174700.db2.gz QGAGBZZJOCIHRU-CQSZACIVSA-N 1 0 249.398 3.706 10 0 BHAERO Cc1cccc(OCC[NH2+]CCC(C)(C)C)c1C ZINC000053565426 179168453 /nfs/dbraw/zinc/16/84/53/179168453.db2.gz OSPZJBGMBFSSCJ-UHFFFAOYSA-N 1 0 249.398 3.708 10 0 BHAERO Cc1ccc(C)c(O[C@@H](C)C[NH2+]CCC(C)C)c1 ZINC000053566452 178491778 /nfs/dbraw/zinc/49/17/78/178491778.db2.gz ZTWROUGBXILTPD-HNNXBMFYSA-N 1 0 249.398 3.706 10 0 BHAERO Cc1ccc(C)c(O[C@H](C)C[NH2+]CCC(C)C)c1 ZINC000053566453 178491439 /nfs/dbraw/zinc/49/14/39/178491439.db2.gz ZTWROUGBXILTPD-OAHLLOKOSA-N 1 0 249.398 3.706 10 0 BHAERO Cc1ccc(OCC[NH2+]CCC(C)(C)C)cc1C ZINC000053566536 178812263 /nfs/dbraw/zinc/81/22/63/178812263.db2.gz GICIWYYLKLSJJW-UHFFFAOYSA-N 1 0 249.398 3.708 10 0 BHAERO CCC(C)(C)[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000053566578 168299172 /nfs/dbraw/zinc/29/91/72/168299172.db2.gz XHMCSBBZFNTDMU-CQSZACIVSA-N 1 0 249.398 3.849 10 0 BHAERO CCC(C)(C)[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1 ZINC000053566579 168299727 /nfs/dbraw/zinc/29/97/27/168299727.db2.gz XHMCSBBZFNTDMU-AWEZNQCLSA-N 1 0 249.398 3.849 10 0 BHAERO Cc1cc(C)cc(O[C@@H](C)C[NH2+]CCC(C)C)c1 ZINC000053566594 177913099 /nfs/dbraw/zinc/91/30/99/177913099.db2.gz LVZABNDPMBDMEI-HNNXBMFYSA-N 1 0 249.398 3.706 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000053566596 169369759 /nfs/dbraw/zinc/36/97/59/169369759.db2.gz YNXWHKBDYARVNM-HUUCEWRRSA-N 1 0 249.398 3.849 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1 ZINC000053566598 169369561 /nfs/dbraw/zinc/36/95/61/169369561.db2.gz YNXWHKBDYARVNM-CABCVRRESA-N 1 0 249.398 3.849 10 0 BHAERO CCCC[NH2+]C[C@@H](C)Oc1ccccc1C(C)C ZINC000053567549 168867853 /nfs/dbraw/zinc/86/78/53/168867853.db2.gz FDRWMZDHQUTXGX-CQSZACIVSA-N 1 0 249.398 3.967 10 0 BHAERO CCCC[NH2+]C[C@H](C)Oc1ccccc1C(C)C ZINC000053567550 168867919 /nfs/dbraw/zinc/86/79/19/168867919.db2.gz FDRWMZDHQUTXGX-AWEZNQCLSA-N 1 0 249.398 3.967 10 0 BHAERO CC(C)CC[NH2+]CCOc1ccccc1C(C)C ZINC000053567564 166860469 /nfs/dbraw/zinc/86/04/69/166860469.db2.gz PVLCDWISECCVTJ-UHFFFAOYSA-N 1 0 249.398 3.825 10 0 BHAERO CCc1cccc(O[C@@H](C)C[NH2+]C(C)(C)CC)c1 ZINC000053568318 171867084 /nfs/dbraw/zinc/86/70/84/171867084.db2.gz ZLUGTFJZBFNFAN-ZDUSSCGKSA-N 1 0 249.398 3.795 10 0 BHAERO CCc1cccc(O[C@H](C)C[NH2+]C(C)(C)CC)c1 ZINC000053568319 171866611 /nfs/dbraw/zinc/86/66/11/171866611.db2.gz ZLUGTFJZBFNFAN-CYBMUJFWSA-N 1 0 249.398 3.795 10 0 BHAERO CCc1cccc(OCC[NH2+]CCC(C)(C)C)c1 ZINC000053568346 171866253 /nfs/dbraw/zinc/86/62/53/171866253.db2.gz PCGOREOYCVMRLQ-UHFFFAOYSA-N 1 0 249.398 3.654 10 0 BHAERO CCCC[NH2+]CCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000053583847 168866724 /nfs/dbraw/zinc/86/67/24/168866724.db2.gz BJTOCRULJPUVQZ-KGLIPLIRSA-N 1 0 241.419 3.608 10 0 BHAERO CCC[C@@H](C)[NH2+]CCOc1c(C)cc(C)cc1C ZINC000053585988 169370156 /nfs/dbraw/zinc/37/01/56/169370156.db2.gz YATPMDLJWFUTMI-OAHLLOKOSA-N 1 0 249.398 3.769 10 0 BHAERO Cc1cc(C)c(C)c(OCC[NH2+]CCC(C)C)c1 ZINC000053586053 177853920 /nfs/dbraw/zinc/85/39/20/177853920.db2.gz DAJXLYVRJNNPRI-UHFFFAOYSA-N 1 0 249.398 3.626 10 0 BHAERO CCC(CC)[NH2+]CCOc1c(C)ccc(C)c1C ZINC000053586600 168389000 /nfs/dbraw/zinc/38/90/00/168389000.db2.gz HPURCOBPPLITBZ-UHFFFAOYSA-N 1 0 249.398 3.769 10 0 BHAERO Cc1cc(OCCC[NH2+]C2CC2)cc(C(C)C)c1 ZINC000053587316 178211373 /nfs/dbraw/zinc/21/13/73/178211373.db2.gz YUGOJWCNANHZQL-UHFFFAOYSA-N 1 0 247.382 3.639 10 0 BHAERO CCc1ccccc1O[C@@H](C)C[NH2+]CCC(C)C ZINC000053587625 171891213 /nfs/dbraw/zinc/89/12/13/171891213.db2.gz LKUZTOJHBLPUCD-AWEZNQCLSA-N 1 0 249.398 3.652 10 0 BHAERO CC[C@H](C)[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000053588591 171340167 /nfs/dbraw/zinc/34/01/67/171340167.db2.gz KCBQRBKMVHCNSK-AWEZNQCLSA-N 1 0 249.398 3.885 10 0 BHAERO C[NH2+]CCCOc1c(C(C)C)cccc1C(C)C ZINC000053590568 173350033 /nfs/dbraw/zinc/35/00/33/173350033.db2.gz XWDIDCGOKUAWNQ-UHFFFAOYSA-N 1 0 249.398 3.922 10 0 BHAERO CCC(C)(C)[NH2+]C[C@@H](C)OC1CCCCCC1 ZINC000053590605 168299413 /nfs/dbraw/zinc/29/94/13/168299413.db2.gz ACLDIFSOHFOYSJ-CYBMUJFWSA-N 1 0 241.419 3.893 10 0 BHAERO CCC(C)(C)[NH2+]C[C@H](C)OC1CCCCCC1 ZINC000053590606 168298720 /nfs/dbraw/zinc/29/87/20/168298720.db2.gz ACLDIFSOHFOYSJ-ZDUSSCGKSA-N 1 0 241.419 3.893 10 0 BHAERO CC(C)C[NH2+]CCSc1ccc2c(c1)CCC2 ZINC000053620302 167005529 /nfs/dbraw/zinc/00/55/29/167005529.db2.gz ACAFJOHYQQRIHU-UHFFFAOYSA-N 1 0 249.423 3.513 10 0 BHAERO CC[NH2+]C[C@@H](C)Sc1ccc2ccccc2c1 ZINC000053622022 170118995 /nfs/dbraw/zinc/11/89/95/170118995.db2.gz VEXKZASFWBUMRP-GFCCVEGCSA-N 1 0 245.391 3.930 10 0 BHAERO CC[NH2+]C[C@H](C)Sc1ccc2ccccc2c1 ZINC000053622024 170121509 /nfs/dbraw/zinc/12/15/09/170121509.db2.gz VEXKZASFWBUMRP-LBPRGKRZSA-N 1 0 245.391 3.930 10 0 BHAERO C[NH2+]CCCCSc1ccc2ccccc2c1 ZINC000053622071 173346045 /nfs/dbraw/zinc/34/60/45/173346045.db2.gz WRKBVKRVXYDFKO-UHFFFAOYSA-N 1 0 245.391 3.932 10 0 BHAERO Cc1cccc(SCC[NH2+]CC2CCCC2)c1 ZINC000053647191 179177522 /nfs/dbraw/zinc/17/75/22/179177522.db2.gz CGVQJSHIANXRLZ-UHFFFAOYSA-N 1 0 249.423 3.867 10 0 BHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)C1CCCCCC1 ZINC000053714076 181562766 /nfs/dbraw/zinc/56/27/66/181562766.db2.gz GVGSJTPVFSSODU-CQSZACIVSA-N 1 0 239.309 3.935 10 0 BHAERO COc1ccc(C[C@H]([NH3+])C2CCCCCC2)cc1 ZINC000053715022 175116927 /nfs/dbraw/zinc/11/69/27/175116927.db2.gz FVMNDGAIHHOCTR-INIZCTEOSA-N 1 0 247.382 3.535 10 0 BHAERO COc1ccc(C[C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000053715024 175115584 /nfs/dbraw/zinc/11/55/84/175115584.db2.gz FVMNDGAIHHOCTR-MRXNPFEDSA-N 1 0 247.382 3.535 10 0 BHAERO COc1ccccc1C[C@H]([NH3+])C1CCCCCC1 ZINC000053715038 175334268 /nfs/dbraw/zinc/33/42/68/175334268.db2.gz CISFWSXNGRCFIH-HNNXBMFYSA-N 1 0 247.382 3.535 10 0 BHAERO COc1ccccc1C[C@@H]([NH3+])C1CCCCCC1 ZINC000053715039 175332514 /nfs/dbraw/zinc/33/25/14/175332514.db2.gz CISFWSXNGRCFIH-OAHLLOKOSA-N 1 0 247.382 3.535 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000053715054 178647738 /nfs/dbraw/zinc/64/77/38/178647738.db2.gz NUCDOUUXMJQNIT-MRXNPFEDSA-N 1 0 231.383 3.835 10 0 BHAERO C[NH2+][C@@H](Cc1ccccc1F)C1CCCCCC1 ZINC000053715113 173425961 /nfs/dbraw/zinc/42/59/61/173425961.db2.gz CJJYTZLCJQOCAU-INIZCTEOSA-N 1 0 249.373 3.927 10 0 BHAERO CCC[NH2+]CC1(c2ccccc2C)CCCC1 ZINC000053738038 169256611 /nfs/dbraw/zinc/25/66/11/169256611.db2.gz GJEFFLAVVQYPTO-UHFFFAOYSA-N 1 0 231.383 3.806 10 0 BHAERO Cc1ccccc1C1(C[NH2+]C(C)C)CCCC1 ZINC000053738052 179255058 /nfs/dbraw/zinc/25/50/58/179255058.db2.gz VHJCXUXVYLODBQ-UHFFFAOYSA-N 1 0 231.383 3.805 10 0 BHAERO Cc1ccccc1C1(C[NH2+]C2CC2)CCCC1 ZINC000053738066 179255437 /nfs/dbraw/zinc/25/54/37/179255437.db2.gz NKFXYRUASLXXAN-UHFFFAOYSA-N 1 0 229.367 3.559 10 0 BHAERO C[NH2+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000053738098 173337943 /nfs/dbraw/zinc/33/79/43/173337943.db2.gz WGNABQIMYMHUQC-UHFFFAOYSA-N 1 0 237.774 3.761 10 0 BHAERO C[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000053738308 173337951 /nfs/dbraw/zinc/33/79/51/173337951.db2.gz HOXBFDRIDWJAEN-UHFFFAOYSA-N 1 0 237.774 3.761 10 0 BHAERO Fc1ccc(C2(C[NH2+]C3CC3)CCCCC2)cc1 ZINC000053738402 180962939 /nfs/dbraw/zinc/96/29/39/180962939.db2.gz YYVDRTOLPJCPLG-UHFFFAOYSA-N 1 0 247.357 3.780 10 0 BHAERO CCC(CC)(C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000053738409 168325230 /nfs/dbraw/zinc/32/52/30/168325230.db2.gz ZEOALLFKGSHQET-UHFFFAOYSA-N 1 0 235.346 3.636 10 0 BHAERO CCC[NH2+]CC(CC)(CC)c1ccc(OC)cc1 ZINC000053738522 169257371 /nfs/dbraw/zinc/25/73/71/169257371.db2.gz INFHRRXSZSJGIH-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO COc1ccc(C2(C[NH2+]C(C)C)CCCC2)cc1 ZINC000053738529 175084237 /nfs/dbraw/zinc/08/42/37/175084237.db2.gz ZVYDFINJRCRMLU-UHFFFAOYSA-N 1 0 247.382 3.505 10 0 BHAERO COc1ccc(C2(C[NH2+]C(C)(C)C)CCC2)cc1 ZINC000053738544 175084713 /nfs/dbraw/zinc/08/47/13/175084713.db2.gz PCHSCXMPUDZFLD-UHFFFAOYSA-N 1 0 247.382 3.505 10 0 BHAERO Fc1ccccc1C1(C[NH2+]C2CC2)CCCCC1 ZINC000053738630 181010890 /nfs/dbraw/zinc/01/08/90/181010890.db2.gz SUXJBALCBHEPEF-UHFFFAOYSA-N 1 0 247.357 3.780 10 0 BHAERO CCC(CC)(C[NH2+]C1CC1)c1ccccc1F ZINC000053738640 168326097 /nfs/dbraw/zinc/32/60/97/168326097.db2.gz YVOCMHPMCBTIJP-UHFFFAOYSA-N 1 0 235.346 3.636 10 0 BHAERO CCC[NH2+]CC(CC)(CC)c1ccccc1OC ZINC000053738749 169256791 /nfs/dbraw/zinc/25/67/91/169256791.db2.gz KEWIZCGLOOYAHX-UHFFFAOYSA-N 1 0 249.398 3.753 10 0 BHAERO COc1ccccc1C1(C[NH2+]C(C)(C)C)CCC1 ZINC000053738777 175321044 /nfs/dbraw/zinc/32/10/44/175321044.db2.gz VTUZTHNFRRJQDW-UHFFFAOYSA-N 1 0 247.382 3.505 10 0 BHAERO CCC[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000053738827 169256578 /nfs/dbraw/zinc/25/65/78/169256578.db2.gz DQJZRZOLOCXMBC-UHFFFAOYSA-N 1 0 235.346 3.637 10 0 BHAERO CC(C)[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000053738836 167099623 /nfs/dbraw/zinc/09/96/23/167099623.db2.gz KBSVGTIRXSLIMN-UHFFFAOYSA-N 1 0 235.346 3.636 10 0 BHAERO CC(C)C[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000053738870 167002953 /nfs/dbraw/zinc/00/29/53/167002953.db2.gz KYEZXDLSQKVWDX-UHFFFAOYSA-N 1 0 249.373 3.883 10 0 BHAERO CC[NH2+]CC1(c2ccc(OCC)cc2)CCCC1 ZINC000053739193 170110372 /nfs/dbraw/zinc/11/03/72/170110372.db2.gz RTSFEYGMNUIDDW-UHFFFAOYSA-N 1 0 247.382 3.507 10 0 BHAERO CCC[NH2+]CC1(c2cc(C)cc(C)c2)CCC1 ZINC000053739268 169257213 /nfs/dbraw/zinc/25/72/13/169257213.db2.gz HHAMCCHRELZQOR-UHFFFAOYSA-N 1 0 231.383 3.725 10 0 BHAERO CCC[NH2+]CC1(c2ccc(C)cc2)CCCC1 ZINC000053739388 169256527 /nfs/dbraw/zinc/25/65/27/169256527.db2.gz XZCSQWWRNIRJGN-UHFFFAOYSA-N 1 0 231.383 3.806 10 0 BHAERO CCC(CC)(C[NH2+]C1CC1)c1ccc(C)cc1 ZINC000053739411 168325344 /nfs/dbraw/zinc/32/53/44/168325344.db2.gz PTRQCQBKEVPEIH-UHFFFAOYSA-N 1 0 231.383 3.805 10 0 BHAERO CCC[NH2+]CC1(c2cccc(C)c2)CCCC1 ZINC000053739462 169257638 /nfs/dbraw/zinc/25/76/38/169257638.db2.gz XPJWAOGHNGDFOQ-UHFFFAOYSA-N 1 0 231.383 3.806 10 0 BHAERO CCC(CC)(C[NH2+]C1CC1)c1cccc(C)c1 ZINC000053739484 168325811 /nfs/dbraw/zinc/32/58/11/168325811.db2.gz YIOLKWXAQBBFHH-UHFFFAOYSA-N 1 0 231.383 3.805 10 0 BHAERO C[NH2+]CC1(c2cccc(OC)c2)CCCCCC1 ZINC000053739509 173338072 /nfs/dbraw/zinc/33/80/72/173338072.db2.gz NFBAYTVINNSHKX-UHFFFAOYSA-N 1 0 247.382 3.507 10 0 BHAERO CCC[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000053739541 169257724 /nfs/dbraw/zinc/25/77/24/169257724.db2.gz CQSTZYLHCSZGCN-UHFFFAOYSA-N 1 0 247.382 3.507 10 0 BHAERO C[NH2+]CC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC000053739603 173337407 /nfs/dbraw/zinc/33/74/07/173337407.db2.gz FNTWBMBUKBDKDY-UHFFFAOYSA-N 1 0 231.383 3.625 10 0 BHAERO CC[NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000053739612 170110310 /nfs/dbraw/zinc/11/03/10/170110310.db2.gz VZFGZSHNCXVADF-UHFFFAOYSA-N 1 0 233.399 3.871 10 0 BHAERO [NH3+]C1(Cc2cccc(F)c2F)CCCCCC1 ZINC000053752818 181332234 /nfs/dbraw/zinc/33/22/34/181332234.db2.gz NAHRHVBBALOKBN-UHFFFAOYSA-N 1 0 239.309 3.559 10 0 BHAERO [NH3+]C1(Cc2ccc(Cl)s2)CCCCC1 ZINC000053753017 357169700 /nfs/dbraw/zinc/16/97/00/357169700.db2.gz DBXDBCCNZIHUKH-UHFFFAOYSA-N 1 0 229.776 3.606 10 0 BHAERO CC(C)OCCC1([NH3+])CCC(C(C)(C)C)CC1 ZINC000053753195 167202540 /nfs/dbraw/zinc/20/25/40/167202540.db2.gz ZSRWYRJDGZLVAD-UHFFFAOYSA-N 1 0 241.419 3.735 10 0 BHAERO [NH3+][C@]1(CC2CCCC2)CCCc2ccccc21 ZINC000053753303 181662668 /nfs/dbraw/zinc/66/26/68/181662668.db2.gz BFDVTLKHYUUBJQ-INIZCTEOSA-N 1 0 229.367 3.757 10 0 BHAERO CCC[C@@H](C)C[C@](C)([NH3+])c1ccc(OC)cc1 ZINC000053757344 169362388 /nfs/dbraw/zinc/36/23/88/169362388.db2.gz YZHGRRQBIGKSBT-DOMZBBRYSA-N 1 0 235.371 3.695 10 0 BHAERO CCC[C@H](C)C[C@](C)([NH3+])c1ccc(OC)cc1 ZINC000053757347 169485129 /nfs/dbraw/zinc/48/51/29/169485129.db2.gz YZHGRRQBIGKSBT-WFASDCNBSA-N 1 0 235.371 3.695 10 0 BHAERO CCC[C@@H](C)C[C@@](C)([NH3+])c1ccc(OC)cc1 ZINC000053757350 169361552 /nfs/dbraw/zinc/36/15/52/169361552.db2.gz YZHGRRQBIGKSBT-IUODEOHRSA-N 1 0 235.371 3.695 10 0 BHAERO CCC[C@@H](C)C[C@](C)([NH3+])c1cccc(OC)c1 ZINC000053757587 169362119 /nfs/dbraw/zinc/36/21/19/169362119.db2.gz YHTYIZHTJQJZMY-DOMZBBRYSA-N 1 0 235.371 3.695 10 0 BHAERO CCC[C@@H](C)C[C@@](C)([NH3+])c1cccc(OC)c1 ZINC000053757592 169361557 /nfs/dbraw/zinc/36/15/57/169361557.db2.gz YHTYIZHTJQJZMY-IUODEOHRSA-N 1 0 235.371 3.695 10 0 BHAERO CCC[C@H](C)C[C@@](C)([NH3+])c1cccc(OC)c1 ZINC000053757595 169484789 /nfs/dbraw/zinc/48/47/89/169484789.db2.gz YHTYIZHTJQJZMY-SWLSCSKDSA-N 1 0 235.371 3.695 10 0 BHAERO CCC([NH3+])(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000053758431 168417522 /nfs/dbraw/zinc/41/75/22/168417522.db2.gz BFLZEKONBDNKDM-UHFFFAOYSA-N 1 0 245.288 3.765 10 0 BHAERO CC(C)[C@](C)([NH3+])Cc1ccc(Cl)cc1Cl ZINC000053758483 167524608 /nfs/dbraw/zinc/52/46/08/167524608.db2.gz MMRNYFYPPWFDDW-GFCCVEGCSA-N 1 0 246.181 3.909 10 0 BHAERO CC(C)[C@@](C)([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000053758530 188301030 /nfs/dbraw/zinc/30/10/30/188301030.db2.gz BPLOLAOALZDWLY-INIZCTEOSA-N 1 0 233.399 3.900 10 0 BHAERO CC(C)[C@](C)([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000053758536 167524500 /nfs/dbraw/zinc/52/45/00/167524500.db2.gz BZWSEBTZFUXQDL-GFCCVEGCSA-N 1 0 246.181 3.909 10 0 BHAERO CCc1ccc([C@@](C)([NH3+])Cc2cccs2)cc1 ZINC000053761241 171836890 /nfs/dbraw/zinc/83/68/90/171836890.db2.gz QDGNBYUDNWSBOV-HNNXBMFYSA-N 1 0 245.391 3.727 10 0 BHAERO Cc1ccc(C)c([C@](C)([NH3+])Cc2cccs2)c1 ZINC000053761621 178503587 /nfs/dbraw/zinc/50/35/87/178503587.db2.gz VZDUEJWQMWLWNQ-OAHLLOKOSA-N 1 0 245.391 3.782 10 0 BHAERO CCC[C@@H](C)C[C@H]([NH2+]C)c1ccccc1OC ZINC000053788235 169361482 /nfs/dbraw/zinc/36/14/82/169361482.db2.gz BEGJTLVGLGHBMY-OCCSQVGLSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@@H](C)C[C@@H]([NH2+]C)c1ccccc1OC ZINC000053788237 169361256 /nfs/dbraw/zinc/36/12/56/169361256.db2.gz BEGJTLVGLGHBMY-TZMCWYRMSA-N 1 0 235.371 3.782 10 0 BHAERO CCC[C@H](C)C[C@@H]([NH2+]C)c1ccccc1OC ZINC000053788238 169484863 /nfs/dbraw/zinc/48/48/63/169484863.db2.gz BEGJTLVGLGHBMY-GXTWGEPZSA-N 1 0 235.371 3.782 10 0 BHAERO CCCCC[C@H]([NH2+]CC)c1ccccc1OC ZINC000053788273 168745217 /nfs/dbraw/zinc/74/52/17/168745217.db2.gz VBZNVQNRAQWRPA-AWEZNQCLSA-N 1 0 235.371 3.926 10 0 BHAERO CCC[C@@H](C)C[C@H]([NH3+])CCOc1ccccc1 ZINC000053788415 169361758 /nfs/dbraw/zinc/36/17/58/169361758.db2.gz HPLPSAVQXAMKND-ZIAGYGMSSA-N 1 0 235.371 3.609 10 0 BHAERO CCC[C@H](C)C[C@H]([NH3+])CCOc1ccccc1 ZINC000053788416 169484880 /nfs/dbraw/zinc/48/48/80/169484880.db2.gz HPLPSAVQXAMKND-UONOGXRCSA-N 1 0 235.371 3.609 10 0 BHAERO CCC[C@@H](C)C[C@@H]([NH3+])CCOc1ccccc1 ZINC000053788417 169361726 /nfs/dbraw/zinc/36/17/26/169361726.db2.gz HPLPSAVQXAMKND-KGLIPLIRSA-N 1 0 235.371 3.609 10 0 BHAERO CCC[C@H](C)C[C@@H]([NH3+])CCOc1ccccc1 ZINC000053788418 169484349 /nfs/dbraw/zinc/48/43/49/169484349.db2.gz HPLPSAVQXAMKND-KBPBESRZSA-N 1 0 235.371 3.609 10 0 BHAERO CCCCC[C@H]([NH2+]CC)c1cccc(OC)c1 ZINC000053788741 168744654 /nfs/dbraw/zinc/74/46/54/168744654.db2.gz SUQQQMADTFSNJY-HNNXBMFYSA-N 1 0 235.371 3.926 10 0 BHAERO CC[NH2+][C@@H](CC1CCCC1)c1cccc(OC)c1 ZINC000053788775 170144283 /nfs/dbraw/zinc/14/42/83/170144283.db2.gz VDYLXYZDPFQNAA-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CC[NH2+][C@H](CC1CCCC1)c1cccc(OC)c1 ZINC000053788776 170161956 /nfs/dbraw/zinc/16/19/56/170161956.db2.gz VDYLXYZDPFQNAA-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCOc1cccc([C@H]([NH3+])CCC(C)C)c1 ZINC000053788841 357178140 /nfs/dbraw/zinc/17/81/40/357178140.db2.gz ZMFHVPBEWVPNSE-CQSZACIVSA-N 1 0 221.344 3.521 10 0 BHAERO CCOc1cccc([C@@H]([NH3+])CCC(C)C)c1 ZINC000053788842 357178354 /nfs/dbraw/zinc/17/83/54/357178354.db2.gz ZMFHVPBEWVPNSE-AWEZNQCLSA-N 1 0 221.344 3.521 10 0 BHAERO CCCCC[C@H]([NH3+])c1cccc(OCC)c1 ZINC000053788843 357178275 /nfs/dbraw/zinc/17/82/75/357178275.db2.gz ADYVNQILHYHKPT-AWEZNQCLSA-N 1 0 221.344 3.665 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cccc(OCC)c1 ZINC000053788844 357178277 /nfs/dbraw/zinc/17/82/77/357178277.db2.gz ADYVNQILHYHKPT-CQSZACIVSA-N 1 0 221.344 3.665 10 0 BHAERO CCOc1cccc([C@H](CC2CCCC2)[NH2+]C)c1 ZINC000053788970 170585737 /nfs/dbraw/zinc/58/57/37/170585737.db2.gz LVCKNGLEDKFHGY-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO [NH3+][C@H](Cc1ccc(Cl)s1)c1cccs1 ZINC000053790439 181625401 /nfs/dbraw/zinc/62/54/01/181625401.db2.gz RDHJJDDTHFQUGX-MRVPVSSYSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1cccs1 ZINC000053790441 181553549 /nfs/dbraw/zinc/55/35/49/181553549.db2.gz RDHJJDDTHFQUGX-QMMMGPOBSA-N 1 0 243.784 3.706 10 0 BHAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(C(C)C)cc1 ZINC000053816609 173425260 /nfs/dbraw/zinc/42/52/60/173425260.db2.gz FIWPVTXJFADWSU-CVEARBPZSA-N 1 0 247.382 3.640 10 0 BHAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1ccsc1 ZINC000053817252 387915145 /nfs/dbraw/zinc/91/51/45/387915145.db2.gz NWXXVMKBDQAEFW-VIFPVBQESA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@H](Cc1ccc(Cl)s1)c1ccsc1 ZINC000053817253 387914373 /nfs/dbraw/zinc/91/43/73/387914373.db2.gz NWXXVMKBDQAEFW-SECBINFHSA-N 1 0 243.784 3.706 10 0 BHAERO CCCC[C@H]([NH3+])c1cccc(Br)c1 ZINC000053817528 357390135 /nfs/dbraw/zinc/39/01/35/357390135.db2.gz NYTCERYERGQLNU-NSHDSACASA-N 1 0 242.160 3.639 10 0 BHAERO CCCC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000053817529 357389930 /nfs/dbraw/zinc/38/99/30/357389930.db2.gz NYTCERYERGQLNU-LLVKDONJSA-N 1 0 242.160 3.639 10 0 BHAERO Cc1ccc([C@H]([NH3+])CCC(C)C)cc1F ZINC000053818601 357391322 /nfs/dbraw/zinc/39/13/22/357391322.db2.gz QBPDIVIGDXNFLV-CYBMUJFWSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCC(C)C)cc1F ZINC000053818603 357391250 /nfs/dbraw/zinc/39/12/50/357391250.db2.gz QBPDIVIGDXNFLV-ZDUSSCGKSA-N 1 0 209.308 3.570 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(C)c(F)c1 ZINC000053818605 357391331 /nfs/dbraw/zinc/39/13/31/357391331.db2.gz OIWPRAMSCKJJCA-ZDUSSCGKSA-N 1 0 209.308 3.714 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(C)c(F)c1 ZINC000053818607 357391285 /nfs/dbraw/zinc/39/12/85/357391285.db2.gz OIWPRAMSCKJJCA-CYBMUJFWSA-N 1 0 209.308 3.714 10 0 BHAERO CC(C)(C)[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000053819226 187611178 /nfs/dbraw/zinc/61/11/78/187611178.db2.gz CJMNSPFPKXTCKY-LLVKDONJSA-N 1 0 245.288 3.621 10 0 BHAERO CC[NH2+][C@H](Cc1ccsc1)Cc1ccccc1 ZINC000053821247 170145784 /nfs/dbraw/zinc/14/57/84/170145784.db2.gz NWMMLNQKBGYBFH-HNNXBMFYSA-N 1 0 245.391 3.511 10 0 BHAERO CC[NH2+][C@@H](Cc1ccsc1)Cc1ccccc1 ZINC000053821248 170162126 /nfs/dbraw/zinc/16/21/26/170162126.db2.gz NWMMLNQKBGYBFH-OAHLLOKOSA-N 1 0 245.391 3.511 10 0 BHAERO CC[NH2+][C@@H](CC1CCCCC1)c1cccnc1 ZINC000053822043 170144241 /nfs/dbraw/zinc/14/42/41/170144241.db2.gz LUVWYMNNAJYURR-HNNXBMFYSA-N 1 0 232.371 3.703 10 0 BHAERO CC[NH2+][C@H](CC1CCCCC1)c1cccnc1 ZINC000053822044 170161271 /nfs/dbraw/zinc/16/12/71/170161271.db2.gz LUVWYMNNAJYURR-OAHLLOKOSA-N 1 0 232.371 3.703 10 0 BHAERO CCC[NH2+][C@@H](C[C@H](C)CCC)c1cccnc1 ZINC000053822179 169279350 /nfs/dbraw/zinc/27/93/50/169279350.db2.gz GDAXSDYWSSHTMV-HIFRSBDPSA-N 1 0 234.387 3.949 10 0 BHAERO CCC[NH2+][C@@H](C[C@@H](C)CCC)c1cccnc1 ZINC000053822180 169279345 /nfs/dbraw/zinc/27/93/45/169279345.db2.gz GDAXSDYWSSHTMV-ZFWWWQNUSA-N 1 0 234.387 3.949 10 0 BHAERO CCC[NH2+][C@H](C[C@H](C)CCC)c1cccnc1 ZINC000053822181 169289182 /nfs/dbraw/zinc/28/91/82/169289182.db2.gz GDAXSDYWSSHTMV-UKRRQHHQSA-N 1 0 234.387 3.949 10 0 BHAERO CCC[NH2+][C@H](C[C@@H](C)CCC)c1cccnc1 ZINC000053822182 169289120 /nfs/dbraw/zinc/28/91/20/169289120.db2.gz GDAXSDYWSSHTMV-DZGCQCFKSA-N 1 0 234.387 3.949 10 0 BHAERO CCC[NH2+][C@@H](CCOCC)c1ccc(CC)cc1 ZINC000053823377 169278336 /nfs/dbraw/zinc/27/83/36/169278336.db2.gz ARWVHBYPNHYZTJ-INIZCTEOSA-N 1 0 249.398 3.716 10 0 BHAERO CCC[NH2+][C@H](CCOCC)c1ccc(CC)cc1 ZINC000053823378 169289298 /nfs/dbraw/zinc/28/92/98/169289298.db2.gz ARWVHBYPNHYZTJ-MRXNPFEDSA-N 1 0 249.398 3.716 10 0 BHAERO CC[NH2+][C@H](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000053824250 170144176 /nfs/dbraw/zinc/14/41/76/170144176.db2.gz OIQKMNIVRDPNAL-GJZGRUSLSA-N 1 0 239.403 3.504 10 0 BHAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000053824251 170161314 /nfs/dbraw/zinc/16/13/14/170161314.db2.gz OIQKMNIVRDPNAL-CABCVRRESA-N 1 0 239.403 3.504 10 0 BHAERO CC[NH2+][C@H](C[C@H]1CCCO1)CC1CCCCC1 ZINC000053824252 170143772 /nfs/dbraw/zinc/14/37/72/170143772.db2.gz OIQKMNIVRDPNAL-LSDHHAIUSA-N 1 0 239.403 3.504 10 0 BHAERO CC[NH2+][C@@H](C[C@H]1CCCO1)CC1CCCCC1 ZINC000053824253 170161652 /nfs/dbraw/zinc/16/16/52/170161652.db2.gz OIQKMNIVRDPNAL-HUUCEWRRSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[NH2+][C@@H](CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000053824703 169278267 /nfs/dbraw/zinc/27/82/67/169278267.db2.gz MQCILACILDZEDK-KBPBESRZSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@H](CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000053824704 169289451 /nfs/dbraw/zinc/28/94/51/169289451.db2.gz MQCILACILDZEDK-KGLIPLIRSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@@H](CCC(C)(C)C)C[C@H]1CCCO1 ZINC000053824705 169277805 /nfs/dbraw/zinc/27/78/05/169277805.db2.gz MQCILACILDZEDK-UONOGXRCSA-N 1 0 241.419 3.750 10 0 BHAERO CCC[NH2+][C@H](CCC(C)(C)C)C[C@H]1CCCO1 ZINC000053824706 169289160 /nfs/dbraw/zinc/28/91/60/169289160.db2.gz MQCILACILDZEDK-ZIAGYGMSSA-N 1 0 241.419 3.750 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)CC(C)C ZINC000053824874 170145879 /nfs/dbraw/zinc/14/58/79/170145879.db2.gz NFJWKXFCGOPWDU-GFCCVEGCSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1F)CC(C)C ZINC000053824875 170162106 /nfs/dbraw/zinc/16/21/06/170162106.db2.gz NFJWKXFCGOPWDU-LBPRGKRZSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)C(C)C ZINC000053825447 169278986 /nfs/dbraw/zinc/27/89/86/169278986.db2.gz OQEUECDPWYIRDD-ZDUSSCGKSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)C(C)C ZINC000053825449 169289594 /nfs/dbraw/zinc/28/95/94/169289594.db2.gz OQEUECDPWYIRDD-CYBMUJFWSA-N 1 0 241.325 3.532 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccn1)C[C@H](C)CCC ZINC000053825834 169290117 /nfs/dbraw/zinc/29/01/17/169290117.db2.gz JYJZZCJVSVHAEX-ZBFHGGJFSA-N 1 0 248.414 3.819 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccn1)C[C@H](C)CCC ZINC000053825837 169279526 /nfs/dbraw/zinc/27/95/26/169279526.db2.gz JYJZZCJVSVHAEX-GDBMZVCRSA-N 1 0 248.414 3.819 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccn1)C[C@@H](C)CCC ZINC000053825840 169279062 /nfs/dbraw/zinc/27/90/62/169279062.db2.gz JYJZZCJVSVHAEX-GOEBONIOSA-N 1 0 248.414 3.819 10 0 BHAERO CCC[NH2+][C@@H](Cc1ccccn1)CC1CCCC1 ZINC000053825864 169278886 /nfs/dbraw/zinc/27/88/86/169278886.db2.gz AVCOHKYURQIUGA-MRXNPFEDSA-N 1 0 246.398 3.573 10 0 BHAERO CCC[NH2+][C@H](Cc1ccccn1)CC1CCCC1 ZINC000053825865 169289575 /nfs/dbraw/zinc/28/95/75/169289575.db2.gz AVCOHKYURQIUGA-INIZCTEOSA-N 1 0 246.398 3.573 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)C(C)(C)C ZINC000053828391 170146717 /nfs/dbraw/zinc/14/67/17/170146717.db2.gz DINRVXQUGLJQCW-LBPRGKRZSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(F)c1F)C(C)(C)C ZINC000053828393 170162544 /nfs/dbraw/zinc/16/25/44/170162544.db2.gz DINRVXQUGLJQCW-GFCCVEGCSA-N 1 0 241.325 3.532 10 0 BHAERO Cc1cc([C@H]([NH3+])CCC(C)C)ccc1F ZINC000053829527 357514033 /nfs/dbraw/zinc/51/40/33/357514033.db2.gz BQPZMBYPDMANHE-CYBMUJFWSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1cc([C@@H]([NH3+])CCC(C)C)ccc1F ZINC000053829529 357513626 /nfs/dbraw/zinc/51/36/26/357513626.db2.gz BQPZMBYPDMANHE-ZDUSSCGKSA-N 1 0 209.308 3.570 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(F)c(C)c1 ZINC000053829531 357514041 /nfs/dbraw/zinc/51/40/41/357514041.db2.gz CHECFJXAKUNTNO-ZDUSSCGKSA-N 1 0 209.308 3.714 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000053829532 357513500 /nfs/dbraw/zinc/51/35/00/357513500.db2.gz CHECFJXAKUNTNO-CYBMUJFWSA-N 1 0 209.308 3.714 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C[C@H](C)CC ZINC000053831378 170162378 /nfs/dbraw/zinc/16/23/78/170162378.db2.gz UBTGWCPWSUGLQZ-HIFRSBDPSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C[C@@H](C)CC ZINC000053831379 170162455 /nfs/dbraw/zinc/16/24/55/170162455.db2.gz UBTGWCPWSUGLQZ-ZFWWWQNUSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C[C@H](C)CC ZINC000053831380 170145895 /nfs/dbraw/zinc/14/58/95/170145895.db2.gz UBTGWCPWSUGLQZ-UKRRQHHQSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C[C@@H](C)CC ZINC000053831381 170146301 /nfs/dbraw/zinc/14/63/01/170146301.db2.gz UBTGWCPWSUGLQZ-DZGCQCFKSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C[C@H](C)CC ZINC000053831682 170162729 /nfs/dbraw/zinc/16/27/29/170162729.db2.gz IXKZPBNUUQSOLX-HIFRSBDPSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C[C@@H](C)CC ZINC000053831684 170162290 /nfs/dbraw/zinc/16/22/90/170162290.db2.gz IXKZPBNUUQSOLX-ZFWWWQNUSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C[C@H](C)CC ZINC000053831686 170146864 /nfs/dbraw/zinc/14/68/64/170146864.db2.gz IXKZPBNUUQSOLX-UKRRQHHQSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C[C@@H](C)CC ZINC000053831688 170146202 /nfs/dbraw/zinc/14/62/02/170146202.db2.gz IXKZPBNUUQSOLX-DZGCQCFKSA-N 1 0 249.398 3.652 10 0 BHAERO CCCCC[C@H](Cc1cc(F)cc(F)c1)[NH2+]C ZINC000053833172 168745226 /nfs/dbraw/zinc/74/52/26/168745226.db2.gz YXEVDPPCXNANBV-CQSZACIVSA-N 1 0 241.325 3.676 10 0 BHAERO CCC[N@H+](C[C@H]1C[C@H](CC)CCC1=O)C(C)C ZINC000053926582 169173983 /nfs/dbraw/zinc/17/39/83/169173983.db2.gz KFZXPRJAEKMPMD-ZIAGYGMSSA-N 1 0 239.403 3.502 10 0 BHAERO CCC[NH+](CCC)C[C@@H](C)C(=O)c1ccccc1 ZINC000053934897 169147609 /nfs/dbraw/zinc/14/76/09/169147609.db2.gz BSAJSZHUAMCKBD-CQSZACIVSA-N 1 0 247.382 3.627 10 0 BHAERO CCC[NH+](CCC)C[C@H](C)C(=O)c1ccccc1 ZINC000053934899 169148367 /nfs/dbraw/zinc/14/83/67/169148367.db2.gz BSAJSZHUAMCKBD-AWEZNQCLSA-N 1 0 247.382 3.627 10 0 BHAERO C[NH2+]Cc1ccc(Oc2ccccc2)cc1Cl ZINC000053994403 387975990 /nfs/dbraw/zinc/97/59/90/387975990.db2.gz PUYMRKUNKANUKQ-UHFFFAOYSA-N 1 0 247.725 3.852 10 0 BHAERO [NH3+]Cc1ccc(Oc2ccccc2)cc1Cl ZINC000053994415 387974918 /nfs/dbraw/zinc/97/49/18/387974918.db2.gz HHVOBEHFLFCSKD-UHFFFAOYSA-N 1 0 233.698 3.591 10 0 BHAERO CC[C@H](C)[N@H+](CC)CCC(=O)c1ccccc1C ZINC000054013616 171312693 /nfs/dbraw/zinc/31/26/93/171312693.db2.gz GZLFYSOYQRLTRY-AWEZNQCLSA-N 1 0 247.382 3.688 10 0 BHAERO CCC[N@H+](CCC(=O)c1ccccc1C)C(C)C ZINC000054013627 169139847 /nfs/dbraw/zinc/13/98/47/169139847.db2.gz PJZUXNNRZDTEPD-UHFFFAOYSA-N 1 0 247.382 3.688 10 0 BHAERO CC[C@H](C)C[N@H+](C)CCC(=O)c1ccccc1C ZINC000054013645 171273083 /nfs/dbraw/zinc/27/30/83/171273083.db2.gz HZCSLPLMBCJGCM-ZDUSSCGKSA-N 1 0 247.382 3.546 10 0 BHAERO CCC(CC)[N@H+](C)CCC(=O)c1ccccc1C ZINC000054013787 168369312 /nfs/dbraw/zinc/36/93/12/168369312.db2.gz HJEVYZRTDDRWLR-UHFFFAOYSA-N 1 0 247.382 3.688 10 0 BHAERO Cc1ccccc1C(=O)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000054013796 179246146 /nfs/dbraw/zinc/24/61/46/179246146.db2.gz LEWZMRTXPOLUJA-AWEZNQCLSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccccc1C(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000054013798 179246122 /nfs/dbraw/zinc/24/61/22/179246122.db2.gz LEWZMRTXPOLUJA-CQSZACIVSA-N 1 0 247.382 3.544 10 0 BHAERO CCC[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1C ZINC000054013870 169364294 /nfs/dbraw/zinc/36/42/94/169364294.db2.gz PZGUYYYOZBZYJV-CQSZACIVSA-N 1 0 247.382 3.688 10 0 BHAERO CCC[NH+](CCC)CC[C@H](N)c1ccccc1C ZINC000054016147 169147425 /nfs/dbraw/zinc/14/74/25/169147425.db2.gz QTINEYGAQHWXAM-INIZCTEOSA-N 1 0 248.414 3.507 10 0 BHAERO CCC[NH+](CCC)CC[C@@H](N)c1ccccc1C ZINC000054016149 169146850 /nfs/dbraw/zinc/14/68/50/169146850.db2.gz QTINEYGAQHWXAM-MRXNPFEDSA-N 1 0 248.414 3.507 10 0 BHAERO CC[C@H](C)[N@H+](CC)CC[C@H](N)c1ccccc1C ZINC000054017214 171312150 /nfs/dbraw/zinc/31/21/50/171312150.db2.gz VFWIRDSKABFYEP-HOCLYGCPSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[N@H+](CC[C@H](N)c1ccccc1C)C(C)C ZINC000054017243 169170131 /nfs/dbraw/zinc/17/01/31/169170131.db2.gz KIGOEUFYYLKJAA-INIZCTEOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[N@H+](CC[C@@H](N)c1ccccc1C)C(C)C ZINC000054017245 169170778 /nfs/dbraw/zinc/17/07/78/169170778.db2.gz KIGOEUFYYLKJAA-MRXNPFEDSA-N 1 0 248.414 3.505 10 0 BHAERO CCC(CC)[N@H+](C)CC[C@H](N)c1ccccc1C ZINC000054017894 168369527 /nfs/dbraw/zinc/36/95/27/168369527.db2.gz YRTXAUPCYPDKSY-INIZCTEOSA-N 1 0 248.414 3.505 10 0 BHAERO CCC(CC)[N@H+](C)CC[C@@H](N)c1ccccc1C ZINC000054017896 168369159 /nfs/dbraw/zinc/36/91/59/168369159.db2.gz YRTXAUPCYPDKSY-MRXNPFEDSA-N 1 0 248.414 3.505 10 0 BHAERO CCC[C@@H](C)[N@H+](C)CC[C@H](N)c1ccccc1C ZINC000054018185 169364862 /nfs/dbraw/zinc/36/48/62/169364862.db2.gz YOTVQIUTGZYOJJ-ZBFHGGJFSA-N 1 0 248.414 3.505 10 0 BHAERO CCC(CC)C[N@H+](CC)CCC(=O)C(C)(C)C ZINC000054026612 168349218 /nfs/dbraw/zinc/34/92/18/168349218.db2.gz IDNXFTNIRKULAS-UHFFFAOYSA-N 1 0 241.419 3.750 10 0 BHAERO CCN(CC[C@H]([NH3+])C(C)(C)C)c1ccccc1C ZINC000054027245 169872521 /nfs/dbraw/zinc/87/25/21/169872521.db2.gz OYOJBCPVDFJEHT-HNNXBMFYSA-N 1 0 248.414 3.585 10 0 BHAERO C[C@H]([NH2+]C1CCC(C)CC1)C1CCCC1 ZINC000054077388 384731363 /nfs/dbraw/zinc/73/13/63/384731363.db2.gz YEUZCMCLLJHDQZ-LXVYMNJGSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C)CC1)C1CCCC1 ZINC000054077389 384730475 /nfs/dbraw/zinc/73/04/75/384730475.db2.gz YEUZCMCLLJHDQZ-MBHSVXNSSA-N 1 0 209.377 3.733 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000054077450 384731723 /nfs/dbraw/zinc/73/17/23/384731723.db2.gz ITHVQHKKRPHQIT-ZDUSSCGKSA-N 1 0 217.356 3.663 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000054077451 384730307 /nfs/dbraw/zinc/73/03/07/384730307.db2.gz ITHVQHKKRPHQIT-CYBMUJFWSA-N 1 0 217.356 3.663 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054077529 322855572 /nfs/dbraw/zinc/85/55/72/322855572.db2.gz ONWQWOZMLJWSHW-STQMWFEESA-N 1 0 247.382 3.925 10 0 BHAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054077530 322855507 /nfs/dbraw/zinc/85/55/07/322855507.db2.gz ONWQWOZMLJWSHW-QWHCGFSZSA-N 1 0 247.382 3.925 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054077531 322855505 /nfs/dbraw/zinc/85/55/05/322855505.db2.gz ONWQWOZMLJWSHW-OLZOCXBDSA-N 1 0 247.382 3.925 10 0 BHAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054077532 384730248 /nfs/dbraw/zinc/73/02/48/384730248.db2.gz ONWQWOZMLJWSHW-CHWSQXEVSA-N 1 0 247.382 3.925 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CCCC1 ZINC000054077633 384731292 /nfs/dbraw/zinc/73/12/92/384731292.db2.gz BKZWJCZWUFGAGY-BLLLJJGKSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CCCC1 ZINC000054077634 322855414 /nfs/dbraw/zinc/85/54/14/322855414.db2.gz BKZWJCZWUFGAGY-MLGOLLRUSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)C1CCCC1 ZINC000054077635 322855578 /nfs/dbraw/zinc/85/55/78/322855578.db2.gz BKZWJCZWUFGAGY-LRDDRELGSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CCCC1 ZINC000054077636 384729395 /nfs/dbraw/zinc/72/93/95/384729395.db2.gz BKZWJCZWUFGAGY-WBMJQRKESA-N 1 0 229.367 3.842 10 0 BHAERO Cc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054077654 322855385 /nfs/dbraw/zinc/85/53/85/322855385.db2.gz MEEBLQDVHWCAJC-ZDUSSCGKSA-N 1 0 217.356 3.663 10 0 BHAERO Cc1cccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000054077655 384731692 /nfs/dbraw/zinc/73/16/92/384731692.db2.gz MEEBLQDVHWCAJC-CYBMUJFWSA-N 1 0 217.356 3.663 10 0 BHAERO [NH3+][C@@H](c1cc2ccccc2o1)C1CCCC1 ZINC000054078491 643665848 /nfs/dbraw/zinc/66/58/48/643665848.db2.gz QIUSBCVTGJEMSA-CQSZACIVSA-N 1 0 215.296 3.623 10 0 BHAERO [NH3+][C@H](c1cc2ccccc2o1)C1CCCC1 ZINC000054078493 539012698 /nfs/dbraw/zinc/01/26/98/539012698.db2.gz QIUSBCVTGJEMSA-AWEZNQCLSA-N 1 0 215.296 3.623 10 0 BHAERO COc1ccc2cc([C@H]([NH3+])C3CCCC3)oc2c1 ZINC000054078550 175225099 /nfs/dbraw/zinc/22/50/99/175225099.db2.gz HSEDLOOGAUCLGW-OAHLLOKOSA-N 1 0 245.322 3.631 10 0 BHAERO COc1ccc2cc([C@@H]([NH3+])C3CCCC3)oc2c1 ZINC000054078553 175224716 /nfs/dbraw/zinc/22/47/16/175224716.db2.gz HSEDLOOGAUCLGW-HNNXBMFYSA-N 1 0 245.322 3.631 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000054079599 358851072 /nfs/dbraw/zinc/85/10/72/358851072.db2.gz CXHFIBVPAICCKY-SWLSCSKDSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000054079601 134754630 /nfs/dbraw/zinc/75/46/30/134754630.db2.gz CXHFIBVPAICCKY-IUODEOHRSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CCCC1 ZINC000054079603 358850493 /nfs/dbraw/zinc/85/04/93/358850493.db2.gz CXHFIBVPAICCKY-WFASDCNBSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CCCC1 ZINC000054079605 358851318 /nfs/dbraw/zinc/85/13/18/358851318.db2.gz CXHFIBVPAICCKY-DOMZBBRYSA-N 1 0 245.366 3.679 10 0 BHAERO CCOc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054080471 322855670 /nfs/dbraw/zinc/85/56/70/322855670.db2.gz OTOKKQMJHDWKSH-ZDUSSCGKSA-N 1 0 247.382 3.754 10 0 BHAERO CCOc1cccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000054080473 384731603 /nfs/dbraw/zinc/73/16/03/384731603.db2.gz OTOKKQMJHDWKSH-CYBMUJFWSA-N 1 0 247.382 3.754 10 0 BHAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000054081249 384730564 /nfs/dbraw/zinc/73/05/64/384730564.db2.gz QGSULROPWNGMEA-JTQLQIEISA-N 1 0 239.309 3.633 10 0 BHAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000054081251 384731071 /nfs/dbraw/zinc/73/10/71/384731071.db2.gz QGSULROPWNGMEA-SNVBAGLBSA-N 1 0 239.309 3.633 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000054081333 322855825 /nfs/dbraw/zinc/85/58/25/322855825.db2.gz ZLZLSCBBMMIRAL-APHBMKBZSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000054081338 384731055 /nfs/dbraw/zinc/73/10/55/384731055.db2.gz ZLZLSCBBMMIRAL-MAZHCROVSA-N 1 0 229.367 3.711 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)s1 ZINC000054081467 384730742 /nfs/dbraw/zinc/73/07/42/384730742.db2.gz GDTMKAJTIGHFKH-NSHDSACASA-N 1 0 223.385 3.725 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)s1 ZINC000054081469 384731184 /nfs/dbraw/zinc/73/11/84/384731184.db2.gz GDTMKAJTIGHFKH-LLVKDONJSA-N 1 0 223.385 3.725 10 0 BHAERO C[C@H]([NH2+]Cc1ccc(F)cc1F)C1CCCC1 ZINC000054081524 176875340 /nfs/dbraw/zinc/87/53/40/176875340.db2.gz XEURWVBZLFLTMP-JTQLQIEISA-N 1 0 239.309 3.633 10 0 BHAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)C1CCCC1 ZINC000054081526 487684427 /nfs/dbraw/zinc/68/44/27/487684427.db2.gz XEURWVBZLFLTMP-SNVBAGLBSA-N 1 0 239.309 3.633 10 0 BHAERO CCC[C@@H]([NH3+])c1nc(-c2ccco2)c(C)s1 ZINC000054083878 169393443 /nfs/dbraw/zinc/39/34/43/169393443.db2.gz GATXAAKAGWOKBT-SECBINFHSA-N 1 0 236.340 3.511 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccco1 ZINC000054105937 171526394 /nfs/dbraw/zinc/52/63/94/171526394.db2.gz CLFLUJBYEAUBSS-ZFWWWQNUSA-N 1 0 241.334 3.660 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccco1 ZINC000054105942 171529529 /nfs/dbraw/zinc/52/95/29/171529529.db2.gz CLFLUJBYEAUBSS-HIFRSBDPSA-N 1 0 241.334 3.660 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccco1 ZINC000054105944 170901493 /nfs/dbraw/zinc/90/14/93/170901493.db2.gz CLFLUJBYEAUBSS-UKRRQHHQSA-N 1 0 241.334 3.660 10 0 BHAERO CCc1ccc(-c2ccc([C@H]([NH3+])CC)o2)cc1 ZINC000054106990 171778677 /nfs/dbraw/zinc/77/86/77/171778677.db2.gz JWRHMWQZHAJIPC-CYBMUJFWSA-N 1 0 229.323 3.919 10 0 BHAERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc(C)c2)o1 ZINC000054107047 170888364 /nfs/dbraw/zinc/88/83/64/170888364.db2.gz OTOTTWKAJZGAIV-CYBMUJFWSA-N 1 0 229.323 3.926 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(-c2cc(C)cc(C)c2)o1 ZINC000054107081 170870120 /nfs/dbraw/zinc/87/01/20/170870120.db2.gz LQAWUQIWHIBVOS-CYBMUJFWSA-N 1 0 229.323 3.973 10 0 BHAERO CCc1cccc(-c2ccc([C@@H]([NH3+])CC)o2)c1 ZINC000054107089 171852722 /nfs/dbraw/zinc/85/27/22/171852722.db2.gz VUFDTCCTSKVDDJ-ZDUSSCGKSA-N 1 0 229.323 3.919 10 0 BHAERO CC[NH2+][C@@H](C)c1cnc(-c2cccs2)s1 ZINC000054159670 170142459 /nfs/dbraw/zinc/14/24/59/170142459.db2.gz VSMOACCBWRYLGT-QMMMGPOBSA-N 1 0 238.381 3.542 10 0 BHAERO CC[NH2+][C@H](C)c1cnc(-c2cccs2)s1 ZINC000054159671 170160252 /nfs/dbraw/zinc/16/02/52/170160252.db2.gz VSMOACCBWRYLGT-MRVPVSSYSA-N 1 0 238.381 3.542 10 0 BHAERO CC[NH2+][C@@H](C)c1cnc(-c2ccsc2)s1 ZINC000054159732 170142850 /nfs/dbraw/zinc/14/28/50/170142850.db2.gz HFRXHXFDARSUNF-QMMMGPOBSA-N 1 0 238.381 3.542 10 0 BHAERO CC[NH2+][C@H](C)c1cnc(-c2ccsc2)s1 ZINC000054159733 170159757 /nfs/dbraw/zinc/15/97/57/170159757.db2.gz HFRXHXFDARSUNF-MRVPVSSYSA-N 1 0 238.381 3.542 10 0 BHAERO CCC[NH2+][C@@H](C)c1cnc(-c2ccccc2)s1 ZINC000054159812 169276614 /nfs/dbraw/zinc/27/66/14/169276614.db2.gz LYEFRKUVKIDHGX-NSHDSACASA-N 1 0 246.379 3.871 10 0 BHAERO CCC[NH2+][C@H](C)c1cnc(-c2ccccc2)s1 ZINC000054159813 169287936 /nfs/dbraw/zinc/28/79/36/169287936.db2.gz LYEFRKUVKIDHGX-LLVKDONJSA-N 1 0 246.379 3.871 10 0 BHAERO C[C@H]([NH3+])c1cnc(-c2ccc(Cl)s2)s1 ZINC000054160648 176778240 /nfs/dbraw/zinc/77/82/40/176778240.db2.gz WBTPXVYIICXPCG-YFKPBYRVSA-N 1 0 244.772 3.545 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1cccc(F)c1F ZINC000054205444 170160807 /nfs/dbraw/zinc/16/08/07/170160807.db2.gz GGLGCJRXHIQNBM-CQSZACIVSA-N 1 0 237.293 3.726 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1cccc(F)c1F ZINC000054205446 170142628 /nfs/dbraw/zinc/14/26/28/170142628.db2.gz GGLGCJRXHIQNBM-AWEZNQCLSA-N 1 0 237.293 3.726 10 0 BHAERO Cc1ccccc1C[C@H]([NH3+])c1cccc(F)c1F ZINC000054208215 179292381 /nfs/dbraw/zinc/29/23/81/179292381.db2.gz DLRIBSVBVWVZIN-AWEZNQCLSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2cccc(F)c2F)c1 ZINC000054208882 179105803 /nfs/dbraw/zinc/10/58/03/179105803.db2.gz OMAFOLGGJFONDD-AWEZNQCLSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2cccc(F)c2F)c1 ZINC000054208884 179104904 /nfs/dbraw/zinc/10/49/04/179104904.db2.gz OMAFOLGGJFONDD-CQSZACIVSA-N 1 0 247.288 3.516 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054376129 171366440 /nfs/dbraw/zinc/36/64/40/171366440.db2.gz RAFMGPLZJXOUCW-TUAOUCFPSA-N 1 0 245.370 3.648 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054376132 171390182 /nfs/dbraw/zinc/39/01/82/171390182.db2.gz RAFMGPLZJXOUCW-SRVKXCTJSA-N 1 0 245.370 3.648 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054376299 168949769 /nfs/dbraw/zinc/94/97/69/168949769.db2.gz OQUBOZPCTGIZOY-NEPJUHHUSA-N 1 0 245.370 3.792 10 0 BHAERO CCC(C)(C)[C@H]([NH3+])c1cc(C)sc1C ZINC000054402447 168303774 /nfs/dbraw/zinc/30/37/74/168303774.db2.gz JYPLBEGOCFJVIC-LLVKDONJSA-N 1 0 211.374 3.801 10 0 BHAERO CCC(C)(C)[C@@H]([NH3+])c1cc(C)sc1C ZINC000054402449 168304371 /nfs/dbraw/zinc/30/43/71/168304371.db2.gz JYPLBEGOCFJVIC-NSHDSACASA-N 1 0 211.374 3.801 10 0 BHAERO CCC(C)(C)[C@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000054402759 168304655 /nfs/dbraw/zinc/30/46/55/168304655.db2.gz CCSIWVJSYREJKR-CYBMUJFWSA-N 1 0 239.334 3.531 10 0 BHAERO CCC(C)(C)[C@@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000054402760 168303733 /nfs/dbraw/zinc/30/37/33/168303733.db2.gz CCSIWVJSYREJKR-ZDUSSCGKSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](c1ccc(OC)cc1)C(C)(C)CC ZINC000054402777 170164146 /nfs/dbraw/zinc/16/41/46/170164146.db2.gz YPQZYGNMQFCKAV-CQSZACIVSA-N 1 0 235.371 3.782 10 0 BHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)(C)CC ZINC000054402778 170148018 /nfs/dbraw/zinc/14/80/18/170148018.db2.gz YPQZYGNMQFCKAV-AWEZNQCLSA-N 1 0 235.371 3.782 10 0 BHAERO CCC(C)(C)[C@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000054402949 168304649 /nfs/dbraw/zinc/30/46/49/168304649.db2.gz RFJBDPAWAHYRDC-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CCC(C)(C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000054402950 168304261 /nfs/dbraw/zinc/30/42/61/168304261.db2.gz RFJBDPAWAHYRDC-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CCC(C)(C)[C@H]([NH2+]C)c1cc(C)oc1C ZINC000054402987 168304407 /nfs/dbraw/zinc/30/44/07/168304407.db2.gz ULDOYZCRWKEOCO-GFCCVEGCSA-N 1 0 209.333 3.593 10 0 BHAERO CCC(C)(C)[C@@H]([NH2+]C)c1cc(C)oc1C ZINC000054402988 168304681 /nfs/dbraw/zinc/30/46/81/168304681.db2.gz ULDOYZCRWKEOCO-LBPRGKRZSA-N 1 0 209.333 3.593 10 0 BHAERO CCOc1ccc(C)cc1[C@H]([NH3+])C(C)(C)CC ZINC000054403040 170540444 /nfs/dbraw/zinc/54/04/44/170540444.db2.gz LATVQOAHTFXGBC-AWEZNQCLSA-N 1 0 235.371 3.830 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C(C)(C)CC ZINC000054403476 170162310 /nfs/dbraw/zinc/16/23/10/170162310.db2.gz PTBHXXJVYPKZQC-OAHLLOKOSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C(C)(C)CC ZINC000054403477 170145946 /nfs/dbraw/zinc/14/59/46/170145946.db2.gz PTBHXXJVYPKZQC-HNNXBMFYSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)(C)CC ZINC000054403488 170162197 /nfs/dbraw/zinc/16/21/97/170162197.db2.gz VULLJEHOSXHRRH-CQSZACIVSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)(C)CC ZINC000054403489 170145882 /nfs/dbraw/zinc/14/58/82/170145882.db2.gz VULLJEHOSXHRRH-AWEZNQCLSA-N 1 0 237.362 3.783 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C(C)(C)CC ZINC000054403498 170162360 /nfs/dbraw/zinc/16/23/60/170162360.db2.gz UTKIQSCWDUOIIO-OAHLLOKOSA-N 1 0 249.398 3.652 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C(C)(C)CC ZINC000054403499 170146551 /nfs/dbraw/zinc/14/65/51/170146551.db2.gz UTKIQSCWDUOIIO-HNNXBMFYSA-N 1 0 249.398 3.652 10 0 BHAERO CCC(C)(C)[C@@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000054403556 168303869 /nfs/dbraw/zinc/30/38/69/168303869.db2.gz CJDPGVUSXDAKCY-OAHLLOKOSA-N 1 0 233.399 3.870 10 0 BHAERO CCC(C)(C)[C@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000054403557 168304404 /nfs/dbraw/zinc/30/44/04/168304404.db2.gz CJDPGVUSXDAKCY-HNNXBMFYSA-N 1 0 233.399 3.870 10 0 BHAERO CCCC[C@@H](COc1ccccc1)[NH2+]CCC ZINC000054437883 168967675 /nfs/dbraw/zinc/96/76/75/168967675.db2.gz UNNXZDMMIAAFKT-AWEZNQCLSA-N 1 0 235.371 3.624 10 0 BHAERO CCCC[C@H](COc1ccccc1)[NH2+]CCC ZINC000054437885 169006266 /nfs/dbraw/zinc/00/62/66/169006266.db2.gz UNNXZDMMIAAFKT-CQSZACIVSA-N 1 0 235.371 3.624 10 0 BHAERO CC[NH2+][C@@H](CCOC)c1cccc2ccccc21 ZINC000054439339 170145245 /nfs/dbraw/zinc/14/52/45/170145245.db2.gz RZRWLOMHAZTBLI-INIZCTEOSA-N 1 0 243.350 3.527 10 0 BHAERO CC[NH2+][C@H](CCOC)c1cccc2ccccc21 ZINC000054439342 170161942 /nfs/dbraw/zinc/16/19/42/170161942.db2.gz RZRWLOMHAZTBLI-MRXNPFEDSA-N 1 0 243.350 3.527 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440297 369071581 /nfs/dbraw/zinc/07/15/81/369071581.db2.gz HEKVYVKLZQTKSD-HNNXBMFYSA-N 1 0 213.324 3.886 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440302 369071804 /nfs/dbraw/zinc/07/18/04/369071804.db2.gz HEKVYVKLZQTKSD-OAHLLOKOSA-N 1 0 213.324 3.886 10 0 BHAERO C[NH2+][C@@H](Cc1c(C)cc(C)cc1C)c1ccco1 ZINC000054455949 173424935 /nfs/dbraw/zinc/42/49/35/173424935.db2.gz KEQIIPBVJKMPNM-HNNXBMFYSA-N 1 0 243.350 3.708 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000054467734 171286145 /nfs/dbraw/zinc/28/61/45/171286145.db2.gz KVZJHPGNIVYUIF-STQMWFEESA-N 1 0 231.383 3.872 10 0 BHAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000054467738 171286877 /nfs/dbraw/zinc/28/68/77/171286877.db2.gz KVZJHPGNIVYUIF-QWHCGFSZSA-N 1 0 231.383 3.872 10 0 BHAERO CC[C@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000054468067 171283935 /nfs/dbraw/zinc/28/39/35/171283935.db2.gz ONBAMEZTSGKCRB-JQRITLKVSA-N 1 0 231.383 3.877 10 0 BHAERO CC[C@H](C)C[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000054468103 171284133 /nfs/dbraw/zinc/28/41/33/171284133.db2.gz MKEUBOYQKGXESY-JQRITLKVSA-N 1 0 231.383 3.877 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000054468397 171285752 /nfs/dbraw/zinc/28/57/52/171285752.db2.gz YQOCBJMTGNHDGR-QWRGUYRKSA-N 1 0 239.334 3.531 10 0 BHAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000054468400 171287404 /nfs/dbraw/zinc/28/74/04/171287404.db2.gz YQOCBJMTGNHDGR-WDEREUQCSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1OC(C)(C)C ZINC000054556560 170153904 /nfs/dbraw/zinc/15/39/04/170153904.db2.gz SXCSAOAFQRFWSA-MJBXVCDLSA-N 1 0 241.419 3.604 10 0 BHAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1OC(C)(C)C ZINC000054556561 170168505 /nfs/dbraw/zinc/16/85/05/170168505.db2.gz SXCSAOAFQRFWSA-IHRRRGAJSA-N 1 0 241.419 3.604 10 0 BHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1OC(C)(C)C ZINC000054556562 170152560 /nfs/dbraw/zinc/15/25/60/170152560.db2.gz SXCSAOAFQRFWSA-MCIONIFRSA-N 1 0 241.419 3.604 10 0 BHAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1OC(C)(C)C ZINC000054556563 170168919 /nfs/dbraw/zinc/16/89/19/170168919.db2.gz SXCSAOAFQRFWSA-RDBSUJKOSA-N 1 0 241.419 3.604 10 0 BHAERO CC(C)CCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054556582 166819702 /nfs/dbraw/zinc/81/97/02/166819702.db2.gz AVYJNZFDZOPCIP-SOUVJXGZSA-N 1 0 241.419 3.591 10 0 BHAERO CC(C)CCCO[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054556583 166818973 /nfs/dbraw/zinc/81/89/73/166818973.db2.gz AVYJNZFDZOPCIP-KKUMJFAQSA-N 1 0 241.419 3.591 10 0 BHAERO COc1ccc(C2([NH3+])CCC(C(C)C)CC2)cc1 ZINC000054557382 175084353 /nfs/dbraw/zinc/08/43/53/175084353.db2.gz POMYSXDDDWOGDS-UHFFFAOYSA-N 1 0 247.382 3.695 10 0 BHAERO CCC(C)(C)C1CCC2(C[C@@H]2C[NH2+]C)CC1 ZINC000054589465 168270691 /nfs/dbraw/zinc/27/06/91/168270691.db2.gz NGWBMQWYTRCJKJ-JVWICGRDSA-N 1 0 223.404 3.839 10 0 BHAERO CCC(C)(C)C1CCC2(C[C@H]2C[NH2+]C)CC1 ZINC000054589467 168270887 /nfs/dbraw/zinc/27/08/87/168270887.db2.gz NGWBMQWYTRCJKJ-OWYJLGKBSA-N 1 0 223.404 3.839 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054590271 170120879 /nfs/dbraw/zinc/12/08/79/170120879.db2.gz AYXABXBJAUXGNT-DZGCQCFKSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054590273 170123880 /nfs/dbraw/zinc/12/38/80/170123880.db2.gz AYXABXBJAUXGNT-UKRRQHHQSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000054590275 170120673 /nfs/dbraw/zinc/12/06/73/170120673.db2.gz AYXABXBJAUXGNT-ZFWWWQNUSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000054590276 170123305 /nfs/dbraw/zinc/12/33/05/170123305.db2.gz AYXABXBJAUXGNT-HIFRSBDPSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054590399 170120946 /nfs/dbraw/zinc/12/09/46/170120946.db2.gz QYUPULGORFKFPK-VHSXEESVSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054590401 170123281 /nfs/dbraw/zinc/12/32/81/170123281.db2.gz QYUPULGORFKFPK-NXEZZACHSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054590402 170121255 /nfs/dbraw/zinc/12/12/55/170121255.db2.gz QYUPULGORFKFPK-UWVGGRQHSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054590404 170123872 /nfs/dbraw/zinc/12/38/72/170123872.db2.gz QYUPULGORFKFPK-ZJUUUORDSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054590508 170121108 /nfs/dbraw/zinc/12/11/08/170121108.db2.gz QSQOAOUYSKJJKQ-BBRMVZONSA-N 1 0 225.335 3.553 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054590509 170123393 /nfs/dbraw/zinc/12/33/93/170123393.db2.gz QSQOAOUYSKJJKQ-CJNGLKHVSA-N 1 0 225.335 3.553 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000054590511 170120988 /nfs/dbraw/zinc/12/09/88/170120988.db2.gz QSQOAOUYSKJJKQ-XJKSGUPXSA-N 1 0 225.335 3.553 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000054590513 170123530 /nfs/dbraw/zinc/12/35/30/170123530.db2.gz QSQOAOUYSKJJKQ-CZUORRHYSA-N 1 0 225.335 3.553 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054590640 170121204 /nfs/dbraw/zinc/12/12/04/170121204.db2.gz RYENAFRKQBJQBT-KWQFWETISA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054590642 170123740 /nfs/dbraw/zinc/12/37/40/170123740.db2.gz RYENAFRKQBJQBT-KCJUWKMLSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054590644 170120650 /nfs/dbraw/zinc/12/06/50/170120650.db2.gz RYENAFRKQBJQBT-GZMMTYOYSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054590646 170123315 /nfs/dbraw/zinc/12/33/15/170123315.db2.gz RYENAFRKQBJQBT-LDYMZIIASA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054590686 170120825 /nfs/dbraw/zinc/12/08/25/170120825.db2.gz PPKOLWPRXOHXEY-LSDHHAIUSA-N 1 0 217.356 3.523 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054590688 170123838 /nfs/dbraw/zinc/12/38/38/170123838.db2.gz PPKOLWPRXOHXEY-HUUCEWRRSA-N 1 0 217.356 3.523 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054590690 170121235 /nfs/dbraw/zinc/12/12/35/170121235.db2.gz PPKOLWPRXOHXEY-GJZGRUSLSA-N 1 0 217.356 3.523 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054590692 170123513 /nfs/dbraw/zinc/12/35/13/170123513.db2.gz PPKOLWPRXOHXEY-CABCVRRESA-N 1 0 217.356 3.523 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054590860 170121367 /nfs/dbraw/zinc/12/13/67/170121367.db2.gz WLQZVSHSOQPGMW-JOYOIKCWSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054590862 170123313 /nfs/dbraw/zinc/12/33/13/170123313.db2.gz WLQZVSHSOQPGMW-BXKDBHETSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054590864 170121313 /nfs/dbraw/zinc/12/13/13/170121313.db2.gz WLQZVSHSOQPGMW-CABZTGNLSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054590865 170123564 /nfs/dbraw/zinc/12/35/64/170123564.db2.gz WLQZVSHSOQPGMW-SKDRFNHKSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054590891 170121224 /nfs/dbraw/zinc/12/12/24/170121224.db2.gz JMMFBEZOPRJGIF-WPRPVWTQSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054590893 170123502 /nfs/dbraw/zinc/12/35/02/170123502.db2.gz JMMFBEZOPRJGIF-SCZZXKLOSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054590895 170120854 /nfs/dbraw/zinc/12/08/54/170120854.db2.gz JMMFBEZOPRJGIF-WCBMZHEXSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054590897 170123847 /nfs/dbraw/zinc/12/38/47/170123847.db2.gz JMMFBEZOPRJGIF-PSASIEDQSA-N 1 0 244.165 3.706 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(C(C)C)cc1 ZINC000054591344 170121320 /nfs/dbraw/zinc/12/13/20/170121320.db2.gz RHOLQXIXFAETLQ-HOTGVXAUSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(C(C)C)cc1 ZINC000054591346 170123483 /nfs/dbraw/zinc/12/34/83/170123483.db2.gz RHOLQXIXFAETLQ-CVEARBPZSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(C(C)C)cc1 ZINC000054591348 170121230 /nfs/dbraw/zinc/12/12/30/170121230.db2.gz RHOLQXIXFAETLQ-JKSUJKDBSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccc(C(C)C)cc1 ZINC000054591350 170123622 /nfs/dbraw/zinc/12/36/22/170123622.db2.gz RHOLQXIXFAETLQ-HZPDHXFCSA-N 1 0 231.383 3.697 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@]1(CC(C)C)c1ccccc1 ZINC000054591360 170121274 /nfs/dbraw/zinc/12/12/74/170121274.db2.gz CWIBYNBENVUXQK-HOTGVXAUSA-N 1 0 231.383 3.600 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@]1(CC(C)C)c1ccccc1 ZINC000054591362 170123383 /nfs/dbraw/zinc/12/33/83/170123383.db2.gz CWIBYNBENVUXQK-CVEARBPZSA-N 1 0 231.383 3.600 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@]1(CC(C)C)c1ccccc1 ZINC000054591364 170120713 /nfs/dbraw/zinc/12/07/13/170120713.db2.gz CWIBYNBENVUXQK-JKSUJKDBSA-N 1 0 231.383 3.600 10 0 BHAERO CC[NH2+]C[C@H]1C[C@]1(CC(C)C)c1ccccc1 ZINC000054591366 170123817 /nfs/dbraw/zinc/12/38/17/170123817.db2.gz CWIBYNBENVUXQK-HZPDHXFCSA-N 1 0 231.383 3.600 10 0 BHAERO CCCc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC)cc1 ZINC000054591470 169574737 /nfs/dbraw/zinc/57/47/37/169574737.db2.gz CGDWFDYKZWDWDJ-HZPDHXFCSA-N 1 0 231.383 3.526 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc2ccccc2c1 ZINC000054591829 170121266 /nfs/dbraw/zinc/12/12/66/170121266.db2.gz JROWIUGKGQURJI-IRXDYDNUSA-N 1 0 239.362 3.727 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccc2ccccc2c1 ZINC000054591831 170123255 /nfs/dbraw/zinc/12/32/55/170123255.db2.gz JROWIUGKGQURJI-SJORKVTESA-N 1 0 239.362 3.727 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccc2ccccc2c1 ZINC000054591833 170120852 /nfs/dbraw/zinc/12/08/52/170120852.db2.gz JROWIUGKGQURJI-DLBZAZTESA-N 1 0 239.362 3.727 10 0 BHAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccc2ccccc2c1 ZINC000054591835 170123262 /nfs/dbraw/zinc/12/32/62/170123262.db2.gz JROWIUGKGQURJI-IAGOWNOFSA-N 1 0 239.362 3.727 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@@]12CCC(C)(C)c1ccccc12 ZINC000054591969 170121298 /nfs/dbraw/zinc/12/12/98/170121298.db2.gz BLEFWQPVVGPYQV-GUYCJALGSA-N 1 0 243.394 3.625 10 0 BHAERO CC[NH2+]C[C@H]1C[C@@]12CCC(C)(C)c1ccccc12 ZINC000054591970 170123613 /nfs/dbraw/zinc/12/36/13/170123613.db2.gz BLEFWQPVVGPYQV-DYVFJYSZSA-N 1 0 243.394 3.625 10 0 BHAERO CC[NH2+]C[C@@H]1C[C@]12CCC(C)(C)c1ccccc12 ZINC000054591972 170121303 /nfs/dbraw/zinc/12/13/03/170121303.db2.gz BLEFWQPVVGPYQV-SUMWQHHRSA-N 1 0 243.394 3.625 10 0 BHAERO CC[NH2+]C[C@H]1C[C@]12CCC(C)(C)c1ccccc12 ZINC000054591974 170123244 /nfs/dbraw/zinc/12/32/44/170123244.db2.gz BLEFWQPVVGPYQV-CXAGYDPISA-N 1 0 243.394 3.625 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000054592238 169262594 /nfs/dbraw/zinc/26/25/94/169262594.db2.gz DOZBUMMACODUJO-DLBZAZTESA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000054592240 169264440 /nfs/dbraw/zinc/26/44/40/169264440.db2.gz DOZBUMMACODUJO-IAGOWNOFSA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000054592242 169264094 /nfs/dbraw/zinc/26/40/94/169264094.db2.gz DOZBUMMACODUJO-IRXDYDNUSA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000054592244 169265020 /nfs/dbraw/zinc/26/50/20/169265020.db2.gz DOZBUMMACODUJO-SJORKVTESA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000054592298 169262688 /nfs/dbraw/zinc/26/26/88/169262688.db2.gz KVALQWLGEWUUAQ-RVMXOQNASA-N 1 0 233.355 3.506 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@H]1c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000054592304 169264428 /nfs/dbraw/zinc/26/44/28/169264428.db2.gz KVALQWLGEWUUAQ-UMSGYPCISA-N 1 0 233.355 3.506 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054592459 169262423 /nfs/dbraw/zinc/26/24/23/169262423.db2.gz KQQUKEQPWRFEHO-YOEHRIQHSA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054592461 169264584 /nfs/dbraw/zinc/26/45/84/169264584.db2.gz KQQUKEQPWRFEHO-PBHICJAKSA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000054592462 169263569 /nfs/dbraw/zinc/26/35/69/169263569.db2.gz KQQUKEQPWRFEHO-WMLDXEAASA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000054592464 169264521 /nfs/dbraw/zinc/26/45/21/169264521.db2.gz KQQUKEQPWRFEHO-RHSMWYFYSA-N 1 0 239.362 3.943 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cccc(OCCC)c1 ZINC000054593027 169262993 /nfs/dbraw/zinc/26/29/93/169262993.db2.gz CRVMPEUYETUTHB-GOEBONIOSA-N 1 0 247.382 3.579 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cccc(OCCC)c1 ZINC000054593029 169264874 /nfs/dbraw/zinc/26/48/74/169264874.db2.gz CRVMPEUYETUTHB-GDBMZVCRSA-N 1 0 247.382 3.579 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@H]1c1cccc(OCCC)c1 ZINC000054593031 169263429 /nfs/dbraw/zinc/26/34/29/169263429.db2.gz CRVMPEUYETUTHB-HOCLYGCPSA-N 1 0 247.382 3.579 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@H]1c1cccc(OCCC)c1 ZINC000054593033 169264751 /nfs/dbraw/zinc/26/47/51/169264751.db2.gz CRVMPEUYETUTHB-ZBFHGGJFSA-N 1 0 247.382 3.579 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(CCC)cc1 ZINC000054593371 169264737 /nfs/dbraw/zinc/26/47/37/169264737.db2.gz YLCPXTFFBJUTQD-SJORKVTESA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(CCC)cc1 ZINC000054593373 169264462 /nfs/dbraw/zinc/26/44/62/169264462.db2.gz YLCPXTFFBJUTQD-IAGOWNOFSA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(CCC)cc1 ZINC000054593375 169262890 /nfs/dbraw/zinc/26/28/90/169262890.db2.gz YLCPXTFFBJUTQD-IRXDYDNUSA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(CCC)cc1 ZINC000054593377 169263797 /nfs/dbraw/zinc/26/37/97/169263797.db2.gz YLCPXTFFBJUTQD-DLBZAZTESA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@]1(CC)c1ccc(C)cc1 ZINC000054593420 169262212 /nfs/dbraw/zinc/26/22/12/169262212.db2.gz KSLZZASKYYNWPV-HOTGVXAUSA-N 1 0 231.383 3.662 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@]1(CC)c1ccc(C)cc1 ZINC000054593422 169265037 /nfs/dbraw/zinc/26/50/37/169265037.db2.gz KSLZZASKYYNWPV-CVEARBPZSA-N 1 0 231.383 3.662 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@]1(CC)c1ccc(C)cc1 ZINC000054593424 169263717 /nfs/dbraw/zinc/26/37/17/169263717.db2.gz KSLZZASKYYNWPV-JKSUJKDBSA-N 1 0 231.383 3.662 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@]1(CC)c1ccc(C)cc1 ZINC000054593426 169265045 /nfs/dbraw/zinc/26/50/45/169265045.db2.gz KSLZZASKYYNWPV-HZPDHXFCSA-N 1 0 231.383 3.662 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@]1(CC)c1ccc(CC)cc1 ZINC000054593511 169262690 /nfs/dbraw/zinc/26/26/90/169262690.db2.gz ZUBCUWCYCVJCOW-IRXDYDNUSA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@]1(CC)c1ccc(CC)cc1 ZINC000054593513 169264845 /nfs/dbraw/zinc/26/48/45/169264845.db2.gz ZUBCUWCYCVJCOW-SJORKVTESA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@]1(CC)c1ccc(CC)cc1 ZINC000054593516 169263920 /nfs/dbraw/zinc/26/39/20/169263920.db2.gz ZUBCUWCYCVJCOW-DLBZAZTESA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@]1(CC)c1ccc(CC)cc1 ZINC000054593518 169264755 /nfs/dbraw/zinc/26/47/55/169264755.db2.gz ZUBCUWCYCVJCOW-IAGOWNOFSA-N 1 0 245.410 3.916 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)C1CCCCC1 ZINC000054593537 169262106 /nfs/dbraw/zinc/26/21/06/169262106.db2.gz OSOAKWPHJNPBFO-KBPBESRZSA-N 1 0 209.377 3.593 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@]1(C)C1CCCCC1 ZINC000054593540 169264510 /nfs/dbraw/zinc/26/45/10/169264510.db2.gz OSOAKWPHJNPBFO-KGLIPLIRSA-N 1 0 209.377 3.593 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@]1(C)C1CCCCC1 ZINC000054593543 169263775 /nfs/dbraw/zinc/26/37/75/169263775.db2.gz OSOAKWPHJNPBFO-UONOGXRCSA-N 1 0 209.377 3.593 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@]1(C)C1CCCCC1 ZINC000054593546 169265004 /nfs/dbraw/zinc/26/50/04/169265004.db2.gz OSOAKWPHJNPBFO-ZIAGYGMSSA-N 1 0 209.377 3.593 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000054594080 167113513 /nfs/dbraw/zinc/11/35/13/167113513.db2.gz AZFIPQPVXNRXER-DLBZAZTESA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000054594082 167117194 /nfs/dbraw/zinc/11/71/94/167117194.db2.gz AZFIPQPVXNRXER-IAGOWNOFSA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000054594084 167113794 /nfs/dbraw/zinc/11/37/94/167113794.db2.gz AZFIPQPVXNRXER-IRXDYDNUSA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000054594086 167117171 /nfs/dbraw/zinc/11/71/71/167117171.db2.gz AZFIPQPVXNRXER-SJORKVTESA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000054594145 167117648 /nfs/dbraw/zinc/11/76/48/167117648.db2.gz XHFYRHBATMCMMQ-UMSGYPCISA-N 1 0 233.355 3.505 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054594297 167113959 /nfs/dbraw/zinc/11/39/59/167113959.db2.gz XYCWNUFUGLOMDQ-YOEHRIQHSA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054594299 167117065 /nfs/dbraw/zinc/11/70/65/167117065.db2.gz XYCWNUFUGLOMDQ-PBHICJAKSA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000054594301 167113207 /nfs/dbraw/zinc/11/32/07/167113207.db2.gz XYCWNUFUGLOMDQ-WMLDXEAASA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000054594303 167117046 /nfs/dbraw/zinc/11/70/46/167117046.db2.gz XYCWNUFUGLOMDQ-RHSMWYFYSA-N 1 0 239.362 3.941 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054594481 167117561 /nfs/dbraw/zinc/11/75/61/167117561.db2.gz QQMJMIFXQLTISA-CVEARBPZSA-N 1 0 231.383 3.912 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054594483 167117281 /nfs/dbraw/zinc/11/72/81/167117281.db2.gz QQMJMIFXQLTISA-HZPDHXFCSA-N 1 0 231.383 3.912 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054594485 167112907 /nfs/dbraw/zinc/11/29/07/167112907.db2.gz QQMJMIFXQLTISA-HOTGVXAUSA-N 1 0 231.383 3.912 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054594487 167113624 /nfs/dbraw/zinc/11/36/24/167113624.db2.gz QQMJMIFXQLTISA-JKSUJKDBSA-N 1 0 231.383 3.912 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000054594637 167112868 /nfs/dbraw/zinc/11/28/68/167112868.db2.gz QVKCFCXQCAOMPU-IUCAKERBSA-N 1 0 229.776 3.503 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000054594639 167117716 /nfs/dbraw/zinc/11/77/16/167117716.db2.gz QVKCFCXQCAOMPU-BDAKNGLRSA-N 1 0 229.776 3.503 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000054594641 167112979 /nfs/dbraw/zinc/11/29/79/167112979.db2.gz QVKCFCXQCAOMPU-DTWKUNHWSA-N 1 0 229.776 3.503 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000054594643 167117590 /nfs/dbraw/zinc/11/75/90/167117590.db2.gz QVKCFCXQCAOMPU-RKDXNWHRSA-N 1 0 229.776 3.503 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054594745 167113287 /nfs/dbraw/zinc/11/32/87/167113287.db2.gz BZUWKBADAGLGSZ-GOEBONIOSA-N 1 0 247.382 3.575 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054594748 167117081 /nfs/dbraw/zinc/11/70/81/167117081.db2.gz BZUWKBADAGLGSZ-GDBMZVCRSA-N 1 0 247.382 3.575 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054594749 167112996 /nfs/dbraw/zinc/11/29/96/167112996.db2.gz BZUWKBADAGLGSZ-HOCLYGCPSA-N 1 0 247.382 3.575 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054594751 167116613 /nfs/dbraw/zinc/11/66/13/167116613.db2.gz BZUWKBADAGLGSZ-ZBFHGGJFSA-N 1 0 247.382 3.575 10 0 BHAERO CCCOc1cccc([C@@H]2C[C@@H]2C[NH2+]C(C)C)c1 ZINC000054594878 169326126 /nfs/dbraw/zinc/32/61/26/169326126.db2.gz VHGFAHFTTBPCPT-ZBFHGGJFSA-N 1 0 247.382 3.577 10 0 BHAERO CCCOc1cccc([C@H]2C[C@@H]2C[NH2+]C(C)C)c1 ZINC000054594879 169325868 /nfs/dbraw/zinc/32/58/68/169325868.db2.gz VHGFAHFTTBPCPT-GDBMZVCRSA-N 1 0 247.382 3.577 10 0 BHAERO CCCOc1cccc([C@@H]2C[C@H]2C[NH2+]C(C)C)c1 ZINC000054594881 169325954 /nfs/dbraw/zinc/32/59/54/169325954.db2.gz VHGFAHFTTBPCPT-HOCLYGCPSA-N 1 0 247.382 3.577 10 0 BHAERO CCCOc1cccc([C@H]2C[C@H]2C[NH2+]C(C)C)c1 ZINC000054594883 169326052 /nfs/dbraw/zinc/32/60/52/169326052.db2.gz VHGFAHFTTBPCPT-GOEBONIOSA-N 1 0 247.382 3.577 10 0 BHAERO CCC[C@]1(c2ccccc2)C[C@@H]1C[NH2+]C(C)C ZINC000054595076 169559861 /nfs/dbraw/zinc/55/98/61/169559861.db2.gz IAJKZHOHWMSBLU-HZPDHXFCSA-N 1 0 231.383 3.742 10 0 BHAERO Cc1ccc(C)c([C@@]2(C)C[C@@H]2C[NH2+]C(C)C)c1 ZINC000054595234 178499746 /nfs/dbraw/zinc/49/97/46/178499746.db2.gz KEGPWGXTMZUZTR-ZBFHGGJFSA-N 1 0 231.383 3.579 10 0 BHAERO CC(C)[NH2+]C[C@@H]1CC12CCCCCCC2 ZINC000054595282 167111797 /nfs/dbraw/zinc/11/17/97/167111797.db2.gz WFMVTAIDLRTVFF-ZDUSSCGKSA-N 1 0 209.377 3.735 10 0 BHAERO CC(C)[NH2+]C[C@H]1CC12CCCCCCC2 ZINC000054595283 167115034 /nfs/dbraw/zinc/11/50/34/167115034.db2.gz WFMVTAIDLRTVFF-CYBMUJFWSA-N 1 0 209.377 3.735 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@@]1(c1cccs1)C(C)C ZINC000054595394 167116903 /nfs/dbraw/zinc/11/69/03/167116903.db2.gz SFPCPLFVXUPFCQ-TZMCWYRMSA-N 1 0 237.412 3.660 10 0 BHAERO CC(C)[NH2+]C[C@H]1C[C@]1(c1cccs1)C(C)C ZINC000054595395 167116838 /nfs/dbraw/zinc/11/68/38/167116838.db2.gz SFPCPLFVXUPFCQ-OCCSQVGLSA-N 1 0 237.412 3.660 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(c1cccs1)C(C)C ZINC000054595396 167113715 /nfs/dbraw/zinc/11/37/15/167113715.db2.gz SFPCPLFVXUPFCQ-GXTWGEPZSA-N 1 0 237.412 3.660 10 0 BHAERO CC(C)[NH2+]C[C@@H]1C[C@]1(c1cccs1)C(C)C ZINC000054595397 167114000 /nfs/dbraw/zinc/11/40/00/167114000.db2.gz SFPCPLFVXUPFCQ-JSGCOSHPSA-N 1 0 237.412 3.660 10 0 BHAERO CC(C)C[C@@]1(c2ccccc2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596191 187271993 /nfs/dbraw/zinc/27/19/93/187271993.db2.gz FNQKOQWNSADGSA-WBVHZDCISA-N 1 0 243.394 3.742 10 0 BHAERO CC(C)C[C@]1(c2ccccc2)C[C@H]1C[NH2+]C1CC1 ZINC000054596192 188300431 /nfs/dbraw/zinc/30/04/31/188300431.db2.gz FNQKOQWNSADGSA-DOTOQJQBSA-N 1 0 243.394 3.742 10 0 BHAERO CC(C)C[C@@]1(c2ccccc2)C[C@H]1C[NH2+]C1CC1 ZINC000054596193 188300593 /nfs/dbraw/zinc/30/05/93/188300593.db2.gz FNQKOQWNSADGSA-RDJZCZTQSA-N 1 0 243.394 3.742 10 0 BHAERO CC[C@@]1(c2cccc(Cl)c2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596295 171216197 /nfs/dbraw/zinc/21/61/97/171216197.db2.gz QSSDTBBGQQFBMP-DOMZBBRYSA-N 1 0 249.785 3.760 10 0 BHAERO CC[C@@]1(c2cccc(Cl)c2)C[C@H]1C[NH2+]C1CC1 ZINC000054596297 171216229 /nfs/dbraw/zinc/21/62/29/171216229.db2.gz QSSDTBBGQQFBMP-WFASDCNBSA-N 1 0 249.785 3.760 10 0 BHAERO CCOc1ccccc1[C@@H]1C[C@H]1C[NH2+]C(C)(C)C ZINC000054596791 170598548 /nfs/dbraw/zinc/59/85/48/170598548.db2.gz WOVXIKDOBHFPCZ-GXTWGEPZSA-N 1 0 247.382 3.577 10 0 BHAERO Cc1ccc([C@@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596875 178876884 /nfs/dbraw/zinc/87/68/84/178876884.db2.gz RVRXRTJJWHUZRG-GJZGRUSLSA-N 1 0 231.383 3.795 10 0 BHAERO Cc1ccc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596876 178923282 /nfs/dbraw/zinc/92/32/82/178923282.db2.gz RVRXRTJJWHUZRG-LSDHHAIUSA-N 1 0 231.383 3.795 10 0 BHAERO Cc1ccc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)s1 ZINC000054596921 178876516 /nfs/dbraw/zinc/87/65/16/178876516.db2.gz NUHKERUYHAZVLY-GHMZBOCLSA-N 1 0 223.385 3.548 10 0 BHAERO Cc1ccc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)s1 ZINC000054596922 178924275 /nfs/dbraw/zinc/92/42/75/178924275.db2.gz NUHKERUYHAZVLY-MNOVXSKESA-N 1 0 223.385 3.548 10 0 BHAERO Cc1cc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)ccc1F ZINC000054596993 178242751 /nfs/dbraw/zinc/24/27/51/178242751.db2.gz AZDAMFIWZJSHGE-OLZOCXBDSA-N 1 0 235.346 3.626 10 0 BHAERO Cc1cc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)ccc1F ZINC000054596994 178269437 /nfs/dbraw/zinc/26/94/37/178269437.db2.gz AZDAMFIWZJSHGE-CHWSQXEVSA-N 1 0 235.346 3.626 10 0 BHAERO Cc1cc([C@@H]2C[C@H]2C[NH2+]C(C)(C)C)ccc1F ZINC000054596995 178242395 /nfs/dbraw/zinc/24/23/95/178242395.db2.gz AZDAMFIWZJSHGE-STQMWFEESA-N 1 0 235.346 3.626 10 0 BHAERO Cc1cc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)ccc1F ZINC000054596996 178268656 /nfs/dbraw/zinc/26/86/56/178268656.db2.gz AZDAMFIWZJSHGE-QWHCGFSZSA-N 1 0 235.346 3.626 10 0 BHAERO CCc1ccc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)s1 ZINC000054597017 171836918 /nfs/dbraw/zinc/83/69/18/171836918.db2.gz PCJWQFIOAJIXJH-ZYHUDNBSSA-N 1 0 237.412 3.802 10 0 BHAERO Cc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054597146 178881649 /nfs/dbraw/zinc/88/16/49/178881649.db2.gz XTNVTMSLOGNLNU-NVXWUHKLSA-N 1 0 245.410 3.969 10 0 BHAERO CCc1ccc([C@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597149 171846169 /nfs/dbraw/zinc/84/61/69/171846169.db2.gz PNNVBXDBCPQWAY-WBVHZDCISA-N 1 0 245.410 3.915 10 0 BHAERO CC(C)(C)[NH2+]C[C@H]1C[C@@]12CCc1ccccc1C2 ZINC000054597292 166633820 /nfs/dbraw/zinc/63/38/20/166633820.db2.gz VYGIBSUICMQJLC-WBVHZDCISA-N 1 0 243.394 3.570 10 0 BHAERO CC[C@@]1(c2ccc(F)cc2)C[C@@H]1C[NH2+]C(C)(C)C ZINC000054597438 171216121 /nfs/dbraw/zinc/21/61/21/171216121.db2.gz ITQANHDNBYBFEM-CJNGLKHVSA-N 1 0 249.373 3.882 10 0 BHAERO CC[C@]1(c2ccc(F)cc2)C[C@H]1C[NH2+]C(C)(C)C ZINC000054597439 171725645 /nfs/dbraw/zinc/72/56/45/171725645.db2.gz ITQANHDNBYBFEM-XJKSGUPXSA-N 1 0 249.373 3.882 10 0 BHAERO CC[C@@]1(c2ccc(F)cc2)C[C@H]1C[NH2+]C(C)(C)C ZINC000054597440 171216185 /nfs/dbraw/zinc/21/61/85/171216185.db2.gz ITQANHDNBYBFEM-BBRMVZONSA-N 1 0 249.373 3.882 10 0 BHAERO Cc1cc(C)cc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)c1 ZINC000054597495 177917281 /nfs/dbraw/zinc/91/72/81/177917281.db2.gz CWWWSBYDOCJGIG-CABCVRRESA-N 1 0 231.383 3.795 10 0 BHAERO Cc1cc(C)cc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)c1 ZINC000054597498 177919449 /nfs/dbraw/zinc/91/94/49/177919449.db2.gz CWWWSBYDOCJGIG-LSDHHAIUSA-N 1 0 231.383 3.795 10 0 BHAERO Cc1cc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)c(C)s1 ZINC000054597503 178243414 /nfs/dbraw/zinc/24/34/14/178243414.db2.gz RIUOLJDICABGBB-DGCLKSJQSA-N 1 0 237.412 3.857 10 0 BHAERO Cc1cc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)c(C)s1 ZINC000054597504 178269430 /nfs/dbraw/zinc/26/94/30/178269430.db2.gz RIUOLJDICABGBB-YPMHNXCESA-N 1 0 237.412 3.857 10 0 BHAERO Cc1cc([C@@H]2C[C@H]2C[NH2+]C(C)(C)C)c(C)s1 ZINC000054597505 178243369 /nfs/dbraw/zinc/24/33/69/178243369.db2.gz RIUOLJDICABGBB-WCQYABFASA-N 1 0 237.412 3.857 10 0 BHAERO Cc1cc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)c(C)s1 ZINC000054597506 178268781 /nfs/dbraw/zinc/26/87/81/178268781.db2.gz RIUOLJDICABGBB-AAEUAGOBSA-N 1 0 237.412 3.857 10 0 BHAERO Cc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1C ZINC000054598048 178881451 /nfs/dbraw/zinc/88/14/51/178881451.db2.gz AGFXPYUPVXTPJV-IAGOWNOFSA-N 1 0 245.410 3.827 10 0 BHAERO Cc1ccc([C@@]2(C)C[C@H]2C[NH2+]CC(C)C)cc1C ZINC000054598050 178881032 /nfs/dbraw/zinc/88/10/32/178881032.db2.gz AGFXPYUPVXTPJV-DLBZAZTESA-N 1 0 245.410 3.827 10 0 BHAERO CCc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1 ZINC000054598052 171837451 /nfs/dbraw/zinc/83/74/51/171837451.db2.gz UAHYZESTHYWKOR-IAGOWNOFSA-N 1 0 245.410 3.772 10 0 BHAERO Cc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)c(C)c1 ZINC000054598090 178881378 /nfs/dbraw/zinc/88/13/78/178881378.db2.gz JXKGCSGMWNOTGZ-WBVHZDCISA-N 1 0 245.410 3.827 10 0 BHAERO Cc1ccc([C@]2(C)C[C@H]2C[NH2+]CC(C)C)c(C)c1 ZINC000054598091 178926591 /nfs/dbraw/zinc/92/65/91/178926591.db2.gz JXKGCSGMWNOTGZ-DOTOQJQBSA-N 1 0 245.410 3.827 10 0 BHAERO CC[C@@]1(c2ccccc2)C[C@@H]1C[NH2+]CC(C)C ZINC000054598290 171215728 /nfs/dbraw/zinc/21/57/28/171215728.db2.gz CAQRIEZNVVCKJC-CVEARBPZSA-N 1 0 231.383 3.600 10 0 BHAERO CC[C@@]1(c2ccccc2)C[C@H]1C[NH2+]CC(C)C ZINC000054598292 171216919 /nfs/dbraw/zinc/21/69/19/171216919.db2.gz CAQRIEZNVVCKJC-HOTGVXAUSA-N 1 0 231.383 3.600 10 0 BHAERO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCCC1 ZINC000054600886 385636540 /nfs/dbraw/zinc/63/65/40/385636540.db2.gz LGUQOXNJKTUNPK-GASCZTMLSA-N 1 0 249.398 3.685 10 0 BHAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000054630426 187611052 /nfs/dbraw/zinc/61/10/52/187611052.db2.gz BMRLQUCOTWPHAZ-BZUAXINKSA-N 1 0 231.383 3.629 10 0 BHAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000054630498 188127034 /nfs/dbraw/zinc/12/70/34/188127034.db2.gz LNCBWSRILABQDQ-FMKPAKJESA-N 1 0 249.373 3.768 10 0 BHAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000054630502 187271861 /nfs/dbraw/zinc/27/18/61/187271861.db2.gz LNCBWSRILABQDQ-IIAWOOMASA-N 1 0 249.373 3.768 10 0 BHAERO CCCCOCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630601 168904381 /nfs/dbraw/zinc/90/43/81/168904381.db2.gz ZSXGWQAYTIWOOM-ZNMIVQPWSA-N 1 0 241.419 3.593 10 0 BHAERO [NH3+]C[C@]1(Cc2ccccc2Cl)C[C@H]2CC[C@@H]1C2 ZINC000054634615 181470677 /nfs/dbraw/zinc/47/06/77/181470677.db2.gz ZTCCWUHJRYHXDX-NJZAAPMLSA-N 1 0 249.785 3.648 10 0 BHAERO Cc1ccc(C)c(CC2(C[NH3+])CCCCC2)c1 ZINC000054635499 188127295 /nfs/dbraw/zinc/12/72/95/188127295.db2.gz XOSXOTRDFCLKLT-UHFFFAOYSA-N 1 0 231.383 3.755 10 0 BHAERO CCC(CC)(C[NH3+])CCCc1ccccc1 ZINC000054636602 168322319 /nfs/dbraw/zinc/32/23/19/168322319.db2.gz RGRFTKYWDFNMTG-UHFFFAOYSA-N 1 0 219.372 3.774 10 0 BHAERO CC[C@@](C[NH3+])(CC1CCCC1)c1ccccc1 ZINC000054636831 171193137 /nfs/dbraw/zinc/19/31/37/171193137.db2.gz AJXSFEHCZCQHFV-INIZCTEOSA-N 1 0 231.383 3.873 10 0 BHAERO CC[C@@](C)(C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000054637029 171166582 /nfs/dbraw/zinc/16/65/82/171166582.db2.gz GHPOPBBZXWLWTR-MRXNPFEDSA-N 1 0 233.399 3.902 10 0 BHAERO CC[C@@](C)(C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000054637298 171167069 /nfs/dbraw/zinc/16/70/69/171167069.db2.gz CPGJXVACGMBICV-GFCCVEGCSA-N 1 0 245.288 3.623 10 0 BHAERO CC[NH2+]CC(C)(C)Cc1c(C)cc(C)cc1C ZINC000054638037 170110195 /nfs/dbraw/zinc/11/01/95/170110195.db2.gz VYJQYVPAWSBVER-UHFFFAOYSA-N 1 0 233.399 3.790 10 0 BHAERO CCC[NH2+]CC(C)(C)Cc1ccc(CC)s1 ZINC000054638068 169255722 /nfs/dbraw/zinc/25/57/22/169255722.db2.gz PXWJOGKTRCWAGK-UHFFFAOYSA-N 1 0 239.428 3.879 10 0 BHAERO CC(C)[NH2+]CC(C)(C)Cc1ccc(Cl)s1 ZINC000054638180 167096856 /nfs/dbraw/zinc/09/68/56/167096856.db2.gz OKZZIIDMGXLAJW-UHFFFAOYSA-N 1 0 245.819 3.968 10 0 BHAERO CC(C)[NH2+]CC(C)(C)Cc1ccc(F)cc1F ZINC000054638228 167096849 /nfs/dbraw/zinc/09/68/49/167096849.db2.gz WAYQNHZSCRXSKI-UHFFFAOYSA-N 1 0 241.325 3.532 10 0 BHAERO COc1ccc(C)cc1CC(C)(C)C[NH2+]C(C)C ZINC000054638231 175074140 /nfs/dbraw/zinc/07/41/40/175074140.db2.gz UVASGFRISXOATG-UHFFFAOYSA-N 1 0 249.398 3.570 10 0 BHAERO CC(C)(C[NH2+]C1CC1)Cc1ccc(Cl)s1 ZINC000054638310 187318267 /nfs/dbraw/zinc/31/82/67/187318267.db2.gz HKYIFSCSPKQFQI-UHFFFAOYSA-N 1 0 243.803 3.722 10 0 BHAERO Cc1ccc(C)c(CC(C)(C)C[NH2+]C2CC2)c1 ZINC000054638364 187272140 /nfs/dbraw/zinc/27/21/40/187272140.db2.gz SKSHXSMTQBDJOV-UHFFFAOYSA-N 1 0 231.383 3.624 10 0 BHAERO CC(C)(C)[NH2+]CC(C)(C)Cc1cccc(F)c1 ZINC000054638443 187272583 /nfs/dbraw/zinc/27/25/83/187272583.db2.gz UGAGEEMBDZSQOB-UHFFFAOYSA-N 1 0 237.362 3.783 10 0 BHAERO Cc1ccccc1CC(C)(C)C[NH2+]C(C)(C)C ZINC000054638451 179260391 /nfs/dbraw/zinc/26/03/91/179260391.db2.gz SRHPTMBUOOUIGJ-UHFFFAOYSA-N 1 0 233.399 3.952 10 0 BHAERO Cc1cccc(CC(C)(C)C[NH2+]CC(C)C)c1 ZINC000054638565 179052719 /nfs/dbraw/zinc/05/27/19/179052719.db2.gz XLKQOXLNOSVMLS-UHFFFAOYSA-N 1 0 233.399 3.809 10 0 BHAERO COc1ccccc1CC(C)(C)C[NH2+]CC(C)C ZINC000054638613 175321168 /nfs/dbraw/zinc/32/11/68/175321168.db2.gz JMCLKTZLKXIRLW-UHFFFAOYSA-N 1 0 249.398 3.510 10 0 BHAERO C[NH2+]C[C@@]1(Cc2ccccc2C)C[C@H]2CC[C@@H]1C2 ZINC000054638842 173373095 /nfs/dbraw/zinc/37/30/95/173373095.db2.gz PHEBWZNWULXIIM-UAGQMJEPSA-N 1 0 243.394 3.563 10 0 BHAERO C[NH2+]C[C@]1(Cc2ccccc2C)C[C@H]2CC[C@@H]1C2 ZINC000054638843 173384129 /nfs/dbraw/zinc/38/41/29/173384129.db2.gz PHEBWZNWULXIIM-USXIJHARSA-N 1 0 243.394 3.563 10 0 BHAERO C[NH2+]CC1(Cc2ccccc2F)CCCCC1 ZINC000054654705 173337964 /nfs/dbraw/zinc/33/79/64/173337964.db2.gz DKJAWVMCSGGQNK-UHFFFAOYSA-N 1 0 235.346 3.538 10 0 BHAERO C[NH2+]CC1(Cc2cccc(F)c2)CCCCC1 ZINC000054654734 173337967 /nfs/dbraw/zinc/33/79/67/173337967.db2.gz WDJJNHQMMLPMCD-UHFFFAOYSA-N 1 0 235.346 3.538 10 0 BHAERO C[NH2+]CC1(Cc2ccccc2C)CCCCC1 ZINC000054654743 173337497 /nfs/dbraw/zinc/33/74/97/173337497.db2.gz JOVDZLDSQYTTJR-UHFFFAOYSA-N 1 0 231.383 3.707 10 0 BHAERO CC[NH2+]CC1(Cc2cccc(F)c2)CCCCC1 ZINC000054654852 170110732 /nfs/dbraw/zinc/11/07/32/170110732.db2.gz KXTWBVWSAIAHNE-UHFFFAOYSA-N 1 0 249.373 3.928 10 0 BHAERO CCC[NH2+]CC1(C[C@@H]2CCCO2)CCCCC1 ZINC000054654952 169257479 /nfs/dbraw/zinc/25/74/79/169257479.db2.gz VJJRERAVPDLJTP-AWEZNQCLSA-N 1 0 239.403 3.506 10 0 BHAERO CCC[NH2+]CC1(C[C@H]2CCCO2)CCCCC1 ZINC000054654954 169257007 /nfs/dbraw/zinc/25/70/07/169257007.db2.gz VJJRERAVPDLJTP-CQSZACIVSA-N 1 0 239.403 3.506 10 0 BHAERO CC(C)[NH2+]CC1(C[C@@H]2CCCO2)CCCCC1 ZINC000054655013 167099197 /nfs/dbraw/zinc/09/91/97/167099197.db2.gz HTBAQTPVGZUEFW-AWEZNQCLSA-N 1 0 239.403 3.504 10 0 BHAERO CC(C)[NH2+]CC1(C[C@H]2CCCO2)CCCCC1 ZINC000054655015 167100486 /nfs/dbraw/zinc/10/04/86/167100486.db2.gz HTBAQTPVGZUEFW-CQSZACIVSA-N 1 0 239.403 3.504 10 0 BHAERO COCCCC1(C[NH2+]CC(C)C)CCCCC1 ZINC000054655140 174170146 /nfs/dbraw/zinc/17/01/46/174170146.db2.gz FRDUTWYTWKPKPC-UHFFFAOYSA-N 1 0 241.419 3.609 10 0 BHAERO C[NH2+]CC1(CCCc2ccccc2)CCCC1 ZINC000054655423 173338194 /nfs/dbraw/zinc/33/81/94/173338194.db2.gz AMRIBCBGXFHGDY-UHFFFAOYSA-N 1 0 231.383 3.789 10 0 BHAERO C[NH2+]CC1(Cc2c(C)cc(C)cc2C)CCCC1 ZINC000054655440 173337764 /nfs/dbraw/zinc/33/77/64/173337764.db2.gz ZBTJJACICIPFJK-UHFFFAOYSA-N 1 0 245.410 3.934 10 0 BHAERO CC[NH2+]CC1(Cc2ccc(F)cc2)CCCC1 ZINC000054655495 170111079 /nfs/dbraw/zinc/11/10/79/170111079.db2.gz DAJFXEOLDBCOMN-UHFFFAOYSA-N 1 0 235.346 3.538 10 0 BHAERO CC[NH2+]CC1(CCOCCC(C)C)CCCC1 ZINC000054655546 170111190 /nfs/dbraw/zinc/11/11/90/170111190.db2.gz VJLGJVGXHHBCJU-UHFFFAOYSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[NH2+]CC1(Cc2cccc(F)c2)CCCC1 ZINC000054655613 169256477 /nfs/dbraw/zinc/25/64/77/169256477.db2.gz DNAXYSWUVKYVLR-UHFFFAOYSA-N 1 0 249.373 3.928 10 0 BHAERO CC(C)CCC1(C[NH2+]C2CC2)CCCC1 ZINC000054655782 166797984 /nfs/dbraw/zinc/79/79/84/166797984.db2.gz FOHFRTAPAJITPC-UHFFFAOYSA-N 1 0 209.377 3.735 10 0 BHAERO Fc1ccccc1CC1(C[NH2+]C2CC2)CCCC1 ZINC000054655791 181010883 /nfs/dbraw/zinc/01/08/83/181010883.db2.gz LBJWQKKHGRCXAR-UHFFFAOYSA-N 1 0 247.357 3.681 10 0 BHAERO Cc1cccc(CC2(C[NH2+]C3CC3)CCCC2)c1 ZINC000054655825 179053233 /nfs/dbraw/zinc/05/32/33/179053233.db2.gz KYRHYABKAZCZAE-UHFFFAOYSA-N 1 0 243.394 3.850 10 0 BHAERO CC(C)OCCC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000054655960 167201785 /nfs/dbraw/zinc/20/17/85/167201785.db2.gz GSPQOXRANBKCPX-UHFFFAOYSA-N 1 0 241.419 3.750 10 0 BHAERO CC(C)C[NH2+]CC1(CCOC(C)C)CCCC1 ZINC000054656018 167002852 /nfs/dbraw/zinc/00/28/52/167002852.db2.gz WINRVUBCHSITBA-UHFFFAOYSA-N 1 0 241.419 3.608 10 0 BHAERO CCC[C@@H](C)CC1(C[NH2+]CCOC)CCCC1 ZINC000054656119 169357894 /nfs/dbraw/zinc/35/78/94/169357894.db2.gz GTVHFJQCPNWOAJ-CQSZACIVSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[C@@](C)(C[NH2+]C)Cc1cc(C)ccc1OC ZINC000054656393 169447868 /nfs/dbraw/zinc/44/78/68/169447868.db2.gz WSDVVCBSCCZYCK-MRXNPFEDSA-N 1 0 249.398 3.572 10 0 BHAERO CCC[NH2+]C[C@@](C)(CCC)CC1CCOCC1 ZINC000054656791 169263102 /nfs/dbraw/zinc/26/31/02/169263102.db2.gz LIRVEUXVLLLESV-HNNXBMFYSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[NH2+]C[C@](C)(CCC)CC1CCOCC1 ZINC000054656793 169264638 /nfs/dbraw/zinc/26/46/38/169264638.db2.gz LIRVEUXVLLLESV-OAHLLOKOSA-N 1 0 241.419 3.609 10 0 BHAERO CCCC[C@](CC)(C[NH2+]CC)C[C@@H]1CCCO1 ZINC000054657898 169015167 /nfs/dbraw/zinc/01/51/67/169015167.db2.gz UZCJOYKMZARMEG-GJZGRUSLSA-N 1 0 241.419 3.752 10 0 BHAERO CCCC[C@](CC)(C[NH2+]CC)C[C@H]1CCCO1 ZINC000054657902 169014790 /nfs/dbraw/zinc/01/47/90/169014790.db2.gz UZCJOYKMZARMEG-CABCVRRESA-N 1 0 241.419 3.752 10 0 BHAERO CCCC[C@@](CC)(C[NH2+]CC)C[C@H]1CCCO1 ZINC000054657903 168977856 /nfs/dbraw/zinc/97/78/56/168977856.db2.gz UZCJOYKMZARMEG-HUUCEWRRSA-N 1 0 241.419 3.752 10 0 BHAERO CCCC[C@](CC)(CCOCC)C[NH2+]CCC ZINC000054657920 169014688 /nfs/dbraw/zinc/01/46/88/169014688.db2.gz UQVQNUXYGKYEAR-OAHLLOKOSA-N 1 0 243.435 3.999 10 0 BHAERO CCC(CC)(C[NH2+]C)Cc1ccc(F)cc1F ZINC000054658429 168325478 /nfs/dbraw/zinc/32/54/78/168325478.db2.gz CPBYUQGYAOSRHI-UHFFFAOYSA-N 1 0 241.325 3.533 10 0 BHAERO CC[NH2+]CC(CC)(CC)Cc1cccc(F)c1 ZINC000054658526 170111095 /nfs/dbraw/zinc/11/10/95/170111095.db2.gz WFSNUTYMYKYBNA-UHFFFAOYSA-N 1 0 237.362 3.784 10 0 BHAERO CC[NH2+]CC(CC)(CC)Cc1ccccc1C ZINC000054658534 170110203 /nfs/dbraw/zinc/11/02/03/170110203.db2.gz VCWIFAJUBRYKAU-UHFFFAOYSA-N 1 0 233.399 3.953 10 0 BHAERO CC[NH2+]CC(CC)(CC)CCOc1ccccc1 ZINC000054658577 170110227 /nfs/dbraw/zinc/11/02/27/170110227.db2.gz KAXXJFFQSHUEKZ-UHFFFAOYSA-N 1 0 249.398 3.871 10 0 BHAERO CCC(CC)(C[NH2+]C(C)C)CC1CCOCC1 ZINC000054658713 168325637 /nfs/dbraw/zinc/32/56/37/168325637.db2.gz TWEKRVMAFVMREG-UHFFFAOYSA-N 1 0 241.419 3.608 10 0 BHAERO CCC(CC)(C[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000054658935 168326007 /nfs/dbraw/zinc/32/60/07/168326007.db2.gz MAEXUOJOANZFFL-AWEZNQCLSA-N 1 0 241.419 3.608 10 0 BHAERO CCC(CC)(C[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000054658937 168325648 /nfs/dbraw/zinc/32/56/48/168325648.db2.gz MAEXUOJOANZFFL-CQSZACIVSA-N 1 0 241.419 3.608 10 0 BHAERO CC[C@@](C)(C[NH2+]C)Cc1c(C)cc(C)cc1C ZINC000054660441 171167332 /nfs/dbraw/zinc/16/73/32/171167332.db2.gz IPULYHFSZIKVKB-MRXNPFEDSA-N 1 0 233.399 3.790 10 0 BHAERO CC[NH2+]C[C@@](C)(CC)Cc1cc(C)ccc1OC ZINC000054660637 170121338 /nfs/dbraw/zinc/12/13/38/170121338.db2.gz BCGMXEYIFGNEPC-INIZCTEOSA-N 1 0 249.398 3.572 10 0 BHAERO CC[NH2+]C[C@](C)(CC)Cc1cc(C)ccc1OC ZINC000054660639 170123509 /nfs/dbraw/zinc/12/35/09/170123509.db2.gz BCGMXEYIFGNEPC-MRXNPFEDSA-N 1 0 249.398 3.572 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)Cc1ccc(F)cc1 ZINC000054660810 169264001 /nfs/dbraw/zinc/26/40/01/169264001.db2.gz HZFZONBDAUZJMP-HNNXBMFYSA-N 1 0 237.362 3.784 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)Cc1ccc(F)cc1 ZINC000054660812 169264601 /nfs/dbraw/zinc/26/46/01/169264601.db2.gz HZFZONBDAUZJMP-OAHLLOKOSA-N 1 0 237.362 3.784 10 0 BHAERO CCC[NH2+]C[C@@](C)(CC)CCOCCC(C)C ZINC000054660890 169263673 /nfs/dbraw/zinc/26/36/73/169263673.db2.gz PMPBVBGAJHULPG-HNNXBMFYSA-N 1 0 243.435 3.855 10 0 BHAERO CCC[NH2+]C[C@](C)(CC)CCOCCC(C)C ZINC000054660892 169264859 /nfs/dbraw/zinc/26/48/59/169264859.db2.gz PMPBVBGAJHULPG-OAHLLOKOSA-N 1 0 243.435 3.855 10 0 BHAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1cccc(OC)c1 ZINC000054660985 171167465 /nfs/dbraw/zinc/16/74/65/171167465.db2.gz ZUBFWIIRKPWJEP-MRXNPFEDSA-N 1 0 249.398 3.652 10 0 BHAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1ccc(C)cc1 ZINC000054661016 171166633 /nfs/dbraw/zinc/16/66/33/171166633.db2.gz LFTKYQQPYAFTRI-MRXNPFEDSA-N 1 0 233.399 3.952 10 0 BHAERO CC[C@@](C)(CCOCCC(C)C)C[NH2+]C(C)C ZINC000054661112 171167594 /nfs/dbraw/zinc/16/75/94/171167594.db2.gz WBYDBRDISXSXBY-HNNXBMFYSA-N 1 0 243.435 3.854 10 0 BHAERO CC[C@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000054661278 171693248 /nfs/dbraw/zinc/69/32/48/171693248.db2.gz KTYYPACIXQZBPP-HNNXBMFYSA-N 1 0 235.346 3.537 10 0 BHAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000054661280 171166577 /nfs/dbraw/zinc/16/65/77/171166577.db2.gz KTYYPACIXQZBPP-OAHLLOKOSA-N 1 0 235.346 3.537 10 0 BHAERO CC[C@@](C)(CCOc1ccccc1)C[NH2+]C1CC1 ZINC000054661408 171167401 /nfs/dbraw/zinc/16/74/01/171167401.db2.gz CCTAULAEARCWQK-INIZCTEOSA-N 1 0 247.382 3.624 10 0 BHAERO CCC[NH2+]C[C@]1(CC)CCCc2ccccc21 ZINC000054662528 169264985 /nfs/dbraw/zinc/26/49/85/169264985.db2.gz RLAIFYIPMGZHEZ-INIZCTEOSA-N 1 0 231.383 3.670 10 0 BHAERO CCC[NH2+]C[C@@]1(CC)CCCc2ccccc21 ZINC000054662530 169264083 /nfs/dbraw/zinc/26/40/83/169264083.db2.gz RLAIFYIPMGZHEZ-MRXNPFEDSA-N 1 0 231.383 3.670 10 0 BHAERO CC(C)C[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000054662680 167008284 /nfs/dbraw/zinc/00/82/84/167008284.db2.gz RXLFLSFRLSNXMJ-INIZCTEOSA-N 1 0 231.383 3.526 10 0 BHAERO CC(C)C[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000054662682 167007005 /nfs/dbraw/zinc/00/70/05/167007005.db2.gz RXLFLSFRLSNXMJ-MRXNPFEDSA-N 1 0 231.383 3.526 10 0 BHAERO CCCC[C@H](CC)C[C@]1(C[NH2+]CC)CCOC1 ZINC000054664313 169000009 /nfs/dbraw/zinc/00/00/09/169000009.db2.gz CASCKEFGTOJRID-GJZGRUSLSA-N 1 0 241.419 3.609 10 0 BHAERO c1ccc2c(c1)CCC[C@@H]2[C@@H]1CCCCC[NH2+]1 ZINC000054668489 183441545 /nfs/dbraw/zinc/44/15/45/183441545.db2.gz MFKIRAZMTUXOBY-HOTGVXAUSA-N 1 0 229.367 3.639 10 0 BHAERO [NH3+][C@@H](C1=CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000054668932 181537858 /nfs/dbraw/zinc/53/78/58/181537858.db2.gz UJUBVODRWYPFSR-SJORKVTESA-N 1 0 241.378 3.934 10 0 BHAERO C[C@@H]1C[C@H]1c1ccc(C[C@H]([NH3+])c2ccccc2)o1 ZINC000054681198 176447787 /nfs/dbraw/zinc/44/77/87/176447787.db2.gz UWVPEGJTGQKYCC-DFBGVHRSSA-N 1 0 241.334 3.646 10 0 BHAERO CSc1ccc(C[C@H]([NH3+])c2ccccc2)cc1 ZINC000054681300 188127315 /nfs/dbraw/zinc/12/73/15/188127315.db2.gz BNWYMUAANZCZDM-HNNXBMFYSA-N 1 0 243.375 3.651 10 0 BHAERO Cc1cc(C[C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054681440 178057606 /nfs/dbraw/zinc/05/76/06/178057606.db2.gz NWYKBKDEGNSSIY-AWEZNQCLSA-N 1 0 231.364 3.607 10 0 BHAERO Cc1cc(C[C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054681444 178054782 /nfs/dbraw/zinc/05/47/82/178054782.db2.gz NWYKBKDEGNSSIY-CQSZACIVSA-N 1 0 231.364 3.607 10 0 BHAERO Cc1cccc(C[C@H]([NH3+])c2ccccc2)c1C ZINC000054681447 179106415 /nfs/dbraw/zinc/10/64/15/179106415.db2.gz MLTMDYBTPSCIQT-INIZCTEOSA-N 1 0 225.335 3.546 10 0 BHAERO Cc1cccc(C[C@@H]([NH3+])c2ccccc2)c1C ZINC000054681452 179103929 /nfs/dbraw/zinc/10/39/29/179103929.db2.gz MLTMDYBTPSCIQT-MRXNPFEDSA-N 1 0 225.335 3.546 10 0 BHAERO c1ccc([C@@H]2[NH2+]CC[C@H]2c2ccccc2)cc1 ZINC000054683020 183425365 /nfs/dbraw/zinc/42/53/65/183425365.db2.gz WFSIXPNQDGRVES-HOTGVXAUSA-N 1 0 223.319 3.505 10 0 BHAERO c1ccc([C@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC000054683024 183431849 /nfs/dbraw/zinc/43/18/49/183431849.db2.gz WFSIXPNQDGRVES-CVEARBPZSA-N 1 0 223.319 3.505 10 0 BHAERO Cc1cccc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054683072 187611189 /nfs/dbraw/zinc/61/11/89/187611189.db2.gz BVQVLKYGIRBGBO-DLBZAZTESA-N 1 0 237.346 3.813 10 0 BHAERO Cc1cccc([C@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054683076 187437585 /nfs/dbraw/zinc/43/75/85/187437585.db2.gz BVQVLKYGIRBGBO-IAGOWNOFSA-N 1 0 237.346 3.813 10 0 BHAERO Cc1ccc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000054683256 178873302 /nfs/dbraw/zinc/87/33/02/178873302.db2.gz DGVOXABJOSKNOR-DLBZAZTESA-N 1 0 237.346 3.813 10 0 BHAERO Cc1ccc([C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC000054683262 178874170 /nfs/dbraw/zinc/87/41/70/178874170.db2.gz DGVOXABJOSKNOR-IRXDYDNUSA-N 1 0 237.346 3.813 10 0 BHAERO Cc1ccc([C@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC000054683264 178920235 /nfs/dbraw/zinc/92/02/35/178920235.db2.gz DGVOXABJOSKNOR-SJORKVTESA-N 1 0 237.346 3.813 10 0 BHAERO Cc1cc(F)cc2c1C[C@H](c1ccccc1)[NH2+]C2 ZINC000054684715 178081256 /nfs/dbraw/zinc/08/12/56/178081256.db2.gz YPRZPFPBWSVCJA-MRXNPFEDSA-N 1 0 241.309 3.521 10 0 BHAERO Cc1cc(F)cc2c1C[C@@H](c1ccccc1)[NH2+]C2 ZINC000054684717 178080259 /nfs/dbraw/zinc/08/02/59/178080259.db2.gz YPRZPFPBWSVCJA-INIZCTEOSA-N 1 0 241.309 3.521 10 0 BHAERO C[C@@H]1CCC[C@H](SCc2ccccc2C[NH3+])C1 ZINC000054692512 176146220 /nfs/dbraw/zinc/14/62/20/176146220.db2.gz UAMLSOPLBWJKHP-DOMZBBRYSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@H]1CCC[C@H](SCc2ccccc2C[NH3+])C1 ZINC000054692514 177139184 /nfs/dbraw/zinc/13/91/84/177139184.db2.gz UAMLSOPLBWJKHP-WFASDCNBSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@@H]1CCC[C@@H](SCc2ccccc2C[NH3+])C1 ZINC000054692515 176125427 /nfs/dbraw/zinc/12/54/27/176125427.db2.gz UAMLSOPLBWJKHP-IUODEOHRSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@H]1CCC[C@@H](SCc2ccccc2C[NH3+])C1 ZINC000054692519 177123418 /nfs/dbraw/zinc/12/34/18/177123418.db2.gz UAMLSOPLBWJKHP-SWLSCSKDSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@@H]1CCC[C@H](SCc2cccc(C[NH3+])c2)C1 ZINC000054692560 176145760 /nfs/dbraw/zinc/14/57/60/176145760.db2.gz HODGENKRIDNPJV-DOMZBBRYSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@H]1CCC[C@H](SCc2cccc(C[NH3+])c2)C1 ZINC000054692563 177139024 /nfs/dbraw/zinc/13/90/24/177139024.db2.gz HODGENKRIDNPJV-WFASDCNBSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@@H]1CCC[C@@H](SCc2cccc(C[NH3+])c2)C1 ZINC000054692566 176125429 /nfs/dbraw/zinc/12/54/29/176125429.db2.gz HODGENKRIDNPJV-IUODEOHRSA-N 1 0 249.423 3.957 10 0 BHAERO C[C@H]1CCC[C@@H](SCc2cccc(C[NH3+])c2)C1 ZINC000054692569 177123709 /nfs/dbraw/zinc/12/37/09/177123709.db2.gz HODGENKRIDNPJV-SWLSCSKDSA-N 1 0 249.423 3.957 10 0 BHAERO C[NH2+][C@H]1CCCCc2ccc(CC(C)C)cc21 ZINC000054741857 173460515 /nfs/dbraw/zinc/46/05/15/173460515.db2.gz NAUOZKKLVPRUOF-INIZCTEOSA-N 1 0 231.383 3.872 10 0 BHAERO CCC[NH2+][C@@H]1CCCc2c(OCC)ccc(C)c21 ZINC000054742136 169282000 /nfs/dbraw/zinc/28/20/00/169282000.db2.gz ALUSXBYFFLMETO-CQSZACIVSA-N 1 0 247.382 3.771 10 0 BHAERO CCC[NH2+][C@H]1CCCc2c(OCC)ccc(C)c21 ZINC000054742137 169291365 /nfs/dbraw/zinc/29/13/65/169291365.db2.gz ALUSXBYFFLMETO-AWEZNQCLSA-N 1 0 247.382 3.771 10 0 BHAERO CC[NH2+][C@@H]1CCCCc2ccc(OC(C)C)cc21 ZINC000054742196 170150994 /nfs/dbraw/zinc/15/09/94/170150994.db2.gz FSJCLSUVZVGRKK-MRXNPFEDSA-N 1 0 247.382 3.851 10 0 BHAERO CC[NH2+][C@H]1CCCCc2ccc(OC(C)C)cc21 ZINC000054742197 170166844 /nfs/dbraw/zinc/16/68/44/170166844.db2.gz FSJCLSUVZVGRKK-INIZCTEOSA-N 1 0 247.382 3.851 10 0 BHAERO [NH3+][C@@H]1CCCCc2c(Cl)ccc(Cl)c21 ZINC000054742679 344038622 /nfs/dbraw/zinc/03/86/22/344038622.db2.gz ADHWCAJQHNTKSF-SNVBAGLBSA-N 1 0 230.138 3.720 10 0 BHAERO [NH3+][C@@H]1CCCCc2c(Cl)cc(Cl)cc21 ZINC000054742784 344040973 /nfs/dbraw/zinc/04/09/73/344040973.db2.gz WUCANGASTOHUDP-LLVKDONJSA-N 1 0 230.138 3.720 10 0 BHAERO [NH3+][C@H]1CCCCc2c(Cl)cc(Cl)cc21 ZINC000054742785 344041263 /nfs/dbraw/zinc/04/12/63/344041263.db2.gz WUCANGASTOHUDP-NSHDSACASA-N 1 0 230.138 3.720 10 0 BHAERO C[NH2+][C@@H]1CCCc2c(Cl)cc(Cl)cc21 ZINC000054742792 344041079 /nfs/dbraw/zinc/04/10/79/344041079.db2.gz KPNDPDPVOHLBRX-LLVKDONJSA-N 1 0 230.138 3.590 10 0 BHAERO C[NH2+][C@H]1CCCc2c(Cl)cc(Cl)cc21 ZINC000054742793 344041268 /nfs/dbraw/zinc/04/12/68/344041268.db2.gz KPNDPDPVOHLBRX-NSHDSACASA-N 1 0 230.138 3.590 10 0 BHAERO Cc1ccc([C@H]2CC[NH2+][C@H]2CC(C)C)cc1C ZINC000054929158 178921105 /nfs/dbraw/zinc/92/11/05/178921105.db2.gz SKZXVPKOALAJPC-CVEARBPZSA-N 1 0 231.383 3.795 10 0 BHAERO CC(C)C[C@@H]1Cc2ccc(C(C)C)cc2C[NH2+]1 ZINC000054929822 188127341 /nfs/dbraw/zinc/12/73/41/188127341.db2.gz ZRZKTYMAOLVLIL-MRXNPFEDSA-N 1 0 231.383 3.870 10 0 BHAERO CCCOc1ccc2c(c1)C[NH2+][C@H](CC(C)C)C2 ZINC000054929856 169323603 /nfs/dbraw/zinc/32/36/03/169323603.db2.gz IPDVNTAXLCEWOT-OAHLLOKOSA-N 1 0 247.382 3.536 10 0 BHAERO CCCOc1ccc2c(c1)C[NH2+][C@@H](CC(C)C)C2 ZINC000054929857 169323575 /nfs/dbraw/zinc/32/35/75/169323575.db2.gz IPDVNTAXLCEWOT-HNNXBMFYSA-N 1 0 247.382 3.536 10 0 BHAERO CC[NH2+][C@@H](C)c1oc2cc(F)cc(F)c2c1C ZINC000054932100 170143308 /nfs/dbraw/zinc/14/33/08/170143308.db2.gz BKQFLZRHZUFCSR-QMMMGPOBSA-N 1 0 239.265 3.690 10 0 BHAERO CC[NH2+][C@H](C)c1oc2cc(F)cc(F)c2c1C ZINC000054932101 170160473 /nfs/dbraw/zinc/16/04/73/170160473.db2.gz BKQFLZRHZUFCSR-MRVPVSSYSA-N 1 0 239.265 3.690 10 0 BHAERO C[C@H]([NH3+])c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000054933223 176776691 /nfs/dbraw/zinc/77/66/91/176776691.db2.gz WEEWLTOMIBUQRP-VIFPVBQESA-N 1 0 249.260 3.777 10 0 BHAERO Cc1cc(Oc2cc(F)cc(F)c2)ccc1C[NH3+] ZINC000054933409 178214749 /nfs/dbraw/zinc/21/47/49/178214749.db2.gz XNHAYNAIOTZYPK-UHFFFAOYSA-N 1 0 249.260 3.524 10 0 BHAERO CC[NH2+][C@@H](C)c1cnc(C2CCCCC2)nc1C ZINC000054962990 170142833 /nfs/dbraw/zinc/14/28/33/170142833.db2.gz IECZNJQXLDUXPP-NSHDSACASA-N 1 0 247.386 3.503 10 0 BHAERO CC[NH2+][C@H](C)c1cnc(C2CCCCC2)nc1C ZINC000054962991 170159944 /nfs/dbraw/zinc/15/99/44/170159944.db2.gz IECZNJQXLDUXPP-LLVKDONJSA-N 1 0 247.386 3.503 10 0 BHAERO CCC[NH2+][C@@H](C)c1cnc(C2CCCC2)nc1C ZINC000054963140 169276618 /nfs/dbraw/zinc/27/66/18/169276618.db2.gz PADJCEFZBZCEIU-NSHDSACASA-N 1 0 247.386 3.503 10 0 BHAERO CCC[NH2+][C@H](C)c1cnc(C2CCCC2)nc1C ZINC000054963141 169288343 /nfs/dbraw/zinc/28/83/43/169288343.db2.gz PADJCEFZBZCEIU-LLVKDONJSA-N 1 0 247.386 3.503 10 0 BHAERO Cc1ccccc1CSc1ccccc1C[NH3+] ZINC000054964246 179287144 /nfs/dbraw/zinc/28/71/44/179287144.db2.gz LMAJFDHTGRMJHW-UHFFFAOYSA-N 1 0 243.375 3.746 10 0 BHAERO Cc1ccccc1CS[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000054964265 179287220 /nfs/dbraw/zinc/28/72/20/179287220.db2.gz XWGHZFFPDYNLMT-UKRRQHHQSA-N 1 0 249.423 3.746 10 0 BHAERO Cc1ccccc1CS[C@H]1CCCC[C@@H]1C[NH3+] ZINC000054964266 179287131 /nfs/dbraw/zinc/28/71/31/179287131.db2.gz XWGHZFFPDYNLMT-HIFRSBDPSA-N 1 0 249.423 3.746 10 0 BHAERO Cc1ccccc1CS[C@@H]1CCCC[C@H]1C[NH3+] ZINC000054964267 179287128 /nfs/dbraw/zinc/28/71/28/179287128.db2.gz XWGHZFFPDYNLMT-DZGCQCFKSA-N 1 0 249.423 3.746 10 0 BHAERO Cc1ccccc1CS[C@H]1CCCC[C@H]1C[NH3+] ZINC000054964268 179286726 /nfs/dbraw/zinc/28/67/26/179286726.db2.gz XWGHZFFPDYNLMT-ZFWWWQNUSA-N 1 0 249.423 3.746 10 0 BHAERO Cc1ccccc1CSCC[C@@H]1CCC[NH2+]C1 ZINC000054964590 179287190 /nfs/dbraw/zinc/28/71/90/179287190.db2.gz UVUFDLYBSBUMMC-AWEZNQCLSA-N 1 0 249.423 3.618 10 0 BHAERO Cc1ccccc1CSCC[C@H]1CCC[NH2+]C1 ZINC000054964591 179286913 /nfs/dbraw/zinc/28/69/13/179286913.db2.gz UVUFDLYBSBUMMC-CQSZACIVSA-N 1 0 249.423 3.618 10 0 BHAERO Cc1cccc(CSCC[C@@H]2CCCC[NH2+]2)c1 ZINC000054966309 188127422 /nfs/dbraw/zinc/12/74/22/188127422.db2.gz XRXULUVEQBKLTR-HNNXBMFYSA-N 1 0 249.423 3.760 10 0 BHAERO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000055193887 539013202 /nfs/dbraw/zinc/01/32/02/539013202.db2.gz SGUZVFABANWUNV-UHFFFAOYSA-N 1 0 243.272 3.824 10 0 BHAERO CCC1CCC([NH3+])(c2ccc(F)cc2C)CC1 ZINC000055193929 168518883 /nfs/dbraw/zinc/51/88/83/168518883.db2.gz XMGGBVZCGYMATH-UHFFFAOYSA-N 1 0 235.346 3.888 10 0 BHAERO Cc1ccc([C@](C)([NH3+])c2ccc(F)c(C)c2)cc1 ZINC000055194854 178924343 /nfs/dbraw/zinc/92/43/43/178924343.db2.gz JTPYODNUDMSAHL-INIZCTEOSA-N 1 0 243.325 3.665 10 0 BHAERO Cc1ccccc1[C@](C)([NH3+])c1ccc(F)cc1C ZINC000055194961 179351266 /nfs/dbraw/zinc/35/12/66/179351266.db2.gz XIWZQMPSONWNDN-INIZCTEOSA-N 1 0 243.325 3.665 10 0 BHAERO Cc1ccccc1[C@@](C)([NH3+])c1ccc(F)cc1C ZINC000055194965 179332746 /nfs/dbraw/zinc/33/27/46/179332746.db2.gz XIWZQMPSONWNDN-MRXNPFEDSA-N 1 0 243.325 3.665 10 0 BHAERO CC[C@](C)([NH3+])c1cccc(Cl)c1Cl ZINC000055196918 369140960 /nfs/dbraw/zinc/14/09/60/369140960.db2.gz ZIQIWRQFHZHYJT-JTQLQIEISA-N 1 0 218.127 3.577 10 0 BHAERO CC[C@@](C)([NH3+])c1cccc(Cl)c1Cl ZINC000055196926 369141160 /nfs/dbraw/zinc/14/11/60/369141160.db2.gz ZIQIWRQFHZHYJT-SNVBAGLBSA-N 1 0 218.127 3.577 10 0 BHAERO CC[C@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000055196938 369141080 /nfs/dbraw/zinc/14/10/80/369141080.db2.gz HPWHWQBLHZZSSE-JTQLQIEISA-N 1 0 218.127 3.577 10 0 BHAERO CC[C@@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000055196942 369141148 /nfs/dbraw/zinc/14/11/48/369141148.db2.gz HPWHWQBLHZZSSE-SNVBAGLBSA-N 1 0 218.127 3.577 10 0 BHAERO CCC([NH3+])(CC)c1cccc(Cl)c1Cl ZINC000055197025 369140990 /nfs/dbraw/zinc/14/09/90/369140990.db2.gz SIGJLTHGCDNKQB-UHFFFAOYSA-N 1 0 232.154 3.967 10 0 BHAERO CCC([NH3+])(CC)c1ccc(C(F)(F)F)cc1 ZINC000055197038 384873239 /nfs/dbraw/zinc/87/32/39/384873239.db2.gz GWHRGAUVAXJDNS-UHFFFAOYSA-N 1 0 231.261 3.679 10 0 BHAERO CC(C)[C@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000055197169 369141330 /nfs/dbraw/zinc/14/13/30/369141330.db2.gz STBAQPDUKCMOQR-NSHDSACASA-N 1 0 232.154 3.823 10 0 BHAERO CC(C)[C@@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000055197174 369141104 /nfs/dbraw/zinc/14/11/04/369141104.db2.gz STBAQPDUKCMOQR-LLVKDONJSA-N 1 0 232.154 3.823 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1cc(C)ccc1F ZINC000055197674 171192421 /nfs/dbraw/zinc/19/24/21/171192421.db2.gz JPKYSHRBJGKPBH-MRXNPFEDSA-N 1 0 243.325 3.746 10 0 BHAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055198034 170784948 /nfs/dbraw/zinc/78/49/48/170784948.db2.gz FIAYLAZJMKPXJL-BXKDBHETSA-N 1 0 245.288 3.925 10 0 BHAERO CC[C@H](C)[C@@](C)([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055198039 171381713 /nfs/dbraw/zinc/38/17/13/171381713.db2.gz FIAYLAZJMKPXJL-JOYOIKCWSA-N 1 0 245.288 3.925 10 0 BHAERO Cc1cc(F)ccc1[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000055205902 178092389 /nfs/dbraw/zinc/09/23/89/178092389.db2.gz DQIPPAKGHXDRQN-OAHLLOKOSA-N 1 0 247.288 3.516 10 0 BHAERO Cc1cc(F)ccc1[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000055205905 178092351 /nfs/dbraw/zinc/09/23/51/178092351.db2.gz DQIPPAKGHXDRQN-HNNXBMFYSA-N 1 0 247.288 3.516 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000055206043 369144166 /nfs/dbraw/zinc/14/41/66/369144166.db2.gz NPZQUYMGBIHVOP-JTQLQIEISA-N 1 0 247.260 3.631 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000055206046 369144100 /nfs/dbraw/zinc/14/41/00/369144100.db2.gz NPZQUYMGBIHVOP-SNVBAGLBSA-N 1 0 247.260 3.631 10 0 BHAERO CC(C)[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206060 369144182 /nfs/dbraw/zinc/14/41/82/369144182.db2.gz JXQNVTOGNSNBHB-JTQLQIEISA-N 1 0 218.127 3.649 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206063 369144156 /nfs/dbraw/zinc/14/41/56/369144156.db2.gz JXQNVTOGNSNBHB-SNVBAGLBSA-N 1 0 218.127 3.649 10 0 BHAERO CCC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055222609 369148894 /nfs/dbraw/zinc/14/88/94/369148894.db2.gz BULXKSXCPLOYAL-VIFPVBQESA-N 1 0 218.127 3.793 10 0 BHAERO CCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055222611 369148544 /nfs/dbraw/zinc/14/85/44/369148544.db2.gz BULXKSXCPLOYAL-SECBINFHSA-N 1 0 218.127 3.793 10 0 BHAERO CC[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1C ZINC000055223304 170150061 /nfs/dbraw/zinc/15/00/61/170150061.db2.gz AUINRMVOFSUOEQ-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1ccsc1)c1cc(F)ccc1C ZINC000055223306 170165035 /nfs/dbraw/zinc/16/50/35/170165035.db2.gz AUINRMVOFSUOEQ-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@@H](c1ccsc1)c1cc(C)ccc1F ZINC000055223317 170150127 /nfs/dbraw/zinc/15/01/27/170150127.db2.gz PWWRGOYWDNXYKT-AWEZNQCLSA-N 1 0 249.354 3.895 10 0 BHAERO CC[NH2+][C@H](c1ccsc1)c1cc(C)ccc1F ZINC000055223319 170164681 /nfs/dbraw/zinc/16/46/81/170164681.db2.gz PWWRGOYWDNXYKT-CQSZACIVSA-N 1 0 249.354 3.895 10 0 BHAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)C(C)C ZINC000055223795 173428999 /nfs/dbraw/zinc/42/89/99/173428999.db2.gz RGNCYHPPTQIESK-LLVKDONJSA-N 1 0 247.260 3.502 10 0 BHAERO CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000055224088 643678588 /nfs/dbraw/zinc/67/85/88/643678588.db2.gz OSZWDSQGKHSQPC-NSHDSACASA-N 1 0 231.261 3.766 10 0 BHAERO CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000055224090 640448643 /nfs/dbraw/zinc/44/86/43/640448643.db2.gz OSZWDSQGKHSQPC-LLVKDONJSA-N 1 0 231.261 3.766 10 0 BHAERO CCC[C@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000055224263 369148957 /nfs/dbraw/zinc/14/89/57/369148957.db2.gz UDYVSRYMNVWIPP-NSHDSACASA-N 1 0 231.261 3.766 10 0 BHAERO CCC[C@@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000055224264 369148541 /nfs/dbraw/zinc/14/85/41/369148541.db2.gz UDYVSRYMNVWIPP-LLVKDONJSA-N 1 0 231.261 3.766 10 0 BHAERO CC[NH2+][C@@H](c1cccc2ccccc21)C1CC1 ZINC000055224391 170148327 /nfs/dbraw/zinc/14/83/27/170148327.db2.gz QQJLEIDZYZUDEQ-MRXNPFEDSA-N 1 0 225.335 3.900 10 0 BHAERO CC[NH2+][C@H](c1cccc2ccccc21)C1CC1 ZINC000055224393 170163848 /nfs/dbraw/zinc/16/38/48/170163848.db2.gz QQJLEIDZYZUDEQ-INIZCTEOSA-N 1 0 225.335 3.900 10 0 BHAERO Cc1cc([C@H]([NH3+])c2ccc(F)cc2C)ccc1F ZINC000055225055 178263031 /nfs/dbraw/zinc/26/30/31/178263031.db2.gz RALGIUBJOSHBRF-HNNXBMFYSA-N 1 0 247.288 3.630 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(F)cc2C)ccc1F ZINC000055225057 178237404 /nfs/dbraw/zinc/23/74/04/178237404.db2.gz RALGIUBJOSHBRF-OAHLLOKOSA-N 1 0 247.288 3.630 10 0 BHAERO [NH3+][C@H](CC(F)(F)F)c1cccc2ccccc21 ZINC000055225524 369149583 /nfs/dbraw/zinc/14/95/83/369149583.db2.gz KMVOMNRLMVKMGN-GFCCVEGCSA-N 1 0 239.240 3.792 10 0 BHAERO [NH3+][C@@H](CC(F)(F)F)c1cccc2ccccc21 ZINC000055225526 369149441 /nfs/dbraw/zinc/14/94/41/369149441.db2.gz KMVOMNRLMVKMGN-LBPRGKRZSA-N 1 0 239.240 3.792 10 0 BHAERO [NH3+][C@H](CC(F)(F)F)c1ccc2ccccc2c1 ZINC000055225531 369150017 /nfs/dbraw/zinc/15/00/17/369150017.db2.gz XXMOBPUDWVNEPE-GFCCVEGCSA-N 1 0 239.240 3.792 10 0 BHAERO [NH3+][C@@H](CC(F)(F)F)c1ccc2ccccc2c1 ZINC000055225533 369148564 /nfs/dbraw/zinc/14/85/64/369148564.db2.gz XXMOBPUDWVNEPE-LBPRGKRZSA-N 1 0 239.240 3.792 10 0 BHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1C ZINC000055225614 170144400 /nfs/dbraw/zinc/14/44/00/170144400.db2.gz ROONQHURSDEPHY-NSHDSACASA-N 1 0 249.251 3.737 10 0 BHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1C ZINC000055225617 170160651 /nfs/dbraw/zinc/16/06/51/170160651.db2.gz ROONQHURSDEPHY-LLVKDONJSA-N 1 0 249.251 3.737 10 0 BHAERO Cc1cc(F)ccc1[C@H]([NH3+])CCC(C)C ZINC000055226340 349986687 /nfs/dbraw/zinc/98/66/87/349986687.db2.gz VLYVCNFFDSNFGX-CYBMUJFWSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1cc(F)ccc1[C@@H]([NH3+])CCC(C)C ZINC000055226343 370578748 /nfs/dbraw/zinc/57/87/48/370578748.db2.gz VLYVCNFFDSNFGX-ZDUSSCGKSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1ccc(F)c([C@H]([NH3+])CCC(C)C)c1 ZINC000055226345 370579014 /nfs/dbraw/zinc/57/90/14/370579014.db2.gz CRNFSJJOWGJUFK-CYBMUJFWSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1ccc(F)c([C@@H]([NH3+])CCC(C)C)c1 ZINC000055226348 370579217 /nfs/dbraw/zinc/57/92/17/370579217.db2.gz CRNFSJJOWGJUFK-ZDUSSCGKSA-N 1 0 209.308 3.570 10 0 BHAERO COc1ccc(Cl)cc1[C@@H]([NH3+])CCC(C)C ZINC000055226352 369149777 /nfs/dbraw/zinc/14/97/77/369149777.db2.gz RHEWIWMWXNQLIE-LBPRGKRZSA-N 1 0 241.762 3.785 10 0 BHAERO COc1ccc(Cl)cc1[C@H]([NH3+])CCC(C)C ZINC000055226355 369149662 /nfs/dbraw/zinc/14/96/62/369149662.db2.gz RHEWIWMWXNQLIE-GFCCVEGCSA-N 1 0 241.762 3.785 10 0 BHAERO Cc1cccnc1[C@H]([NH3+])c1cccc2ccccc21 ZINC000055227128 179397310 /nfs/dbraw/zinc/39/73/10/179397310.db2.gz KKELNWJPVSAHLJ-MRXNPFEDSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1cccnc1[C@@H]([NH3+])c1cccc2ccccc21 ZINC000055227132 179398284 /nfs/dbraw/zinc/39/82/84/179398284.db2.gz KKELNWJPVSAHLJ-INIZCTEOSA-N 1 0 248.329 3.591 10 0 BHAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2cc(F)cc(F)c2)C1 ZINC000055227782 176146010 /nfs/dbraw/zinc/14/60/10/176146010.db2.gz WFSMTDGUGGSZGT-BFVZDQMLSA-N 1 0 239.309 3.791 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2cc(F)cc(F)c2)C1 ZINC000055227790 176125218 /nfs/dbraw/zinc/12/52/18/176125218.db2.gz WFSMTDGUGGSZGT-RULNRJAQSA-N 1 0 239.309 3.791 10 0 BHAERO Cc1cc([C@H]([NH3+])[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000055227852 178262319 /nfs/dbraw/zinc/26/23/19/178262319.db2.gz BZFJQZWBSRBDCN-JVLSTEMRSA-N 1 0 235.346 3.960 10 0 BHAERO Cc1cc([C@H]([NH3+])[C@H]2CCC[C@H](C)C2)ccc1F ZINC000055227857 178263299 /nfs/dbraw/zinc/26/32/99/178263299.db2.gz BZFJQZWBSRBDCN-ITDIGPHOSA-N 1 0 235.346 3.960 10 0 BHAERO Cc1cc(F)ccc1[C@H]([NH3+])C1CCC(C)CC1 ZINC000055228083 178092287 /nfs/dbraw/zinc/09/22/87/178092287.db2.gz UPCCSOJUTBNPJS-MBRGGSNBSA-N 1 0 235.346 3.960 10 0 BHAERO Cc1cc(F)ccc1[C@@H]([NH3+])C1CCC(C)CC1 ZINC000055228087 178092206 /nfs/dbraw/zinc/09/22/06/178092206.db2.gz UPCCSOJUTBNPJS-QHAMSDLMSA-N 1 0 235.346 3.960 10 0 BHAERO CCC[NH2+][C@@H](c1ccco1)c1cc(F)ccc1C ZINC000055229601 169280558 /nfs/dbraw/zinc/28/05/58/169280558.db2.gz QOMAXIAOMAHKAW-OAHLLOKOSA-N 1 0 247.313 3.816 10 0 BHAERO CCC[NH2+][C@H](c1ccco1)c1cc(F)ccc1C ZINC000055229606 169290798 /nfs/dbraw/zinc/29/07/98/169290798.db2.gz QOMAXIAOMAHKAW-HNNXBMFYSA-N 1 0 247.313 3.816 10 0 BHAERO CC[NH2+][C@@H](CSC)c1cccc2ccccc21 ZINC000055229843 170146074 /nfs/dbraw/zinc/14/60/74/170146074.db2.gz RKABPAQSDWFSBC-HNNXBMFYSA-N 1 0 245.391 3.853 10 0 BHAERO CC[NH2+][C@H](CSC)c1cccc2ccccc21 ZINC000055229845 170162379 /nfs/dbraw/zinc/16/23/79/170162379.db2.gz RKABPAQSDWFSBC-OAHLLOKOSA-N 1 0 245.391 3.853 10 0 BHAERO [NH3+][C@H]1CCCC[C@@H]1c1ccc2ccccc2c1 ZINC000055231001 181641092 /nfs/dbraw/zinc/64/10/92/181641092.db2.gz SYQULHKOZGQRRE-CVEARBPZSA-N 1 0 225.335 3.825 10 0 BHAERO [NH3+][C@H]1CCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055231140 369150862 /nfs/dbraw/zinc/15/08/62/369150862.db2.gz ZXSJWBZJBQYLQV-KWQFWETISA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H]1CCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055231141 369150749 /nfs/dbraw/zinc/15/07/49/369150749.db2.gz ZXSJWBZJBQYLQV-KCJUWKMLSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055231143 369150881 /nfs/dbraw/zinc/15/08/81/369150881.db2.gz ZXSJWBZJBQYLQV-GZMMTYOYSA-N 1 0 230.138 3.588 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cc(F)ccc1C ZINC000055231602 170150187 /nfs/dbraw/zinc/15/01/87/170150187.db2.gz BFZLZLQFSXJQBP-UKRRQHHQSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cc(F)ccc1C ZINC000055231604 170166308 /nfs/dbraw/zinc/16/63/08/170166308.db2.gz BFZLZLQFSXJQBP-HIFRSBDPSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cc(F)ccc1C ZINC000055231605 170150947 /nfs/dbraw/zinc/15/09/47/170150947.db2.gz BFZLZLQFSXJQBP-DZGCQCFKSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1c1cc(F)ccc1C ZINC000055231606 170167349 /nfs/dbraw/zinc/16/73/49/170167349.db2.gz BFZLZLQFSXJQBP-ZFWWWQNUSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cc(C)ccc1F ZINC000055231639 170150446 /nfs/dbraw/zinc/15/04/46/170150446.db2.gz LBRYWOIHQCEDBG-IUODEOHRSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cc(C)ccc1F ZINC000055231641 170165559 /nfs/dbraw/zinc/16/55/59/170165559.db2.gz LBRYWOIHQCEDBG-DOMZBBRYSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cc(C)ccc1F ZINC000055231644 170150790 /nfs/dbraw/zinc/15/07/90/170150790.db2.gz LBRYWOIHQCEDBG-SWLSCSKDSA-N 1 0 235.346 3.770 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1c1cc(C)ccc1F ZINC000055231647 170166557 /nfs/dbraw/zinc/16/65/57/170166557.db2.gz LBRYWOIHQCEDBG-WFASDCNBSA-N 1 0 235.346 3.770 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)c(C)c1 ZINC000055232086 169281816 /nfs/dbraw/zinc/28/18/16/169281816.db2.gz JRJFZINOXHRSID-UKRRQHHQSA-N 1 0 235.346 3.770 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)c(C)c1 ZINC000055232088 169291713 /nfs/dbraw/zinc/29/17/13/169291713.db2.gz JRJFZINOXHRSID-HIFRSBDPSA-N 1 0 235.346 3.770 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)c(C)c1 ZINC000055232090 169281625 /nfs/dbraw/zinc/28/16/25/169281625.db2.gz JRJFZINOXHRSID-DZGCQCFKSA-N 1 0 235.346 3.770 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)c(C)c1 ZINC000055232092 169291539 /nfs/dbraw/zinc/29/15/39/169291539.db2.gz JRJFZINOXHRSID-ZFWWWQNUSA-N 1 0 235.346 3.770 10 0 BHAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccccc1C(F)(F)F ZINC000055233448 170784967 /nfs/dbraw/zinc/78/49/67/170784967.db2.gz NAOGGZPIXSJVIH-BXKDBHETSA-N 1 0 245.288 3.925 10 0 BHAERO CC[C@H](C)[C@@](C)([NH3+])c1ccccc1C(F)(F)F ZINC000055233449 171381743 /nfs/dbraw/zinc/38/17/43/171381743.db2.gz NAOGGZPIXSJVIH-JOYOIKCWSA-N 1 0 245.288 3.925 10 0 BHAERO [NH3+][C@H]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000055234156 384876598 /nfs/dbraw/zinc/87/65/98/384876598.db2.gz PUQDPGWQKAXIJC-JQWIXIFHSA-N 1 0 243.272 3.690 10 0 BHAERO [NH3+][C@H]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234157 384878026 /nfs/dbraw/zinc/87/80/26/384878026.db2.gz PUQDPGWQKAXIJC-PWSUYJOCSA-N 1 0 243.272 3.690 10 0 BHAERO [NH3+][C@@H]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000055234158 384875923 /nfs/dbraw/zinc/87/59/23/384875923.db2.gz PUQDPGWQKAXIJC-CMPLNLGQSA-N 1 0 243.272 3.690 10 0 BHAERO [NH3+][C@@H]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234159 384877657 /nfs/dbraw/zinc/87/76/57/384877657.db2.gz PUQDPGWQKAXIJC-ZYHUDNBSSA-N 1 0 243.272 3.690 10 0 BHAERO CC[C@@]([NH3+])(c1ccccc1)c1ccc(C)cc1C ZINC000055235636 171192772 /nfs/dbraw/zinc/19/27/72/171192772.db2.gz FJHUZIGDHLTARC-QGZVFWFLSA-N 1 0 239.362 3.916 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C)cc1C ZINC000055236425 170150757 /nfs/dbraw/zinc/15/07/57/170150757.db2.gz IWCCQLGMXKZQNI-HZPDHXFCSA-N 1 0 231.383 3.939 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C)cc1C ZINC000055236431 170166113 /nfs/dbraw/zinc/16/61/13/170166113.db2.gz IWCCQLGMXKZQNI-CVEARBPZSA-N 1 0 231.383 3.939 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C)cc1C ZINC000055236434 170150590 /nfs/dbraw/zinc/15/05/90/170150590.db2.gz IWCCQLGMXKZQNI-JKSUJKDBSA-N 1 0 231.383 3.939 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1c1ccc(C)cc1C ZINC000055236439 170167033 /nfs/dbraw/zinc/16/70/33/170167033.db2.gz IWCCQLGMXKZQNI-HOTGVXAUSA-N 1 0 231.383 3.939 10 0 BHAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2ccc(F)c(F)c2)C1 ZINC000055237505 176146344 /nfs/dbraw/zinc/14/63/44/176146344.db2.gz MQHKNJPKEULACW-BFVZDQMLSA-N 1 0 239.309 3.791 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2ccc(F)c(F)c2)C1 ZINC000055237511 176125179 /nfs/dbraw/zinc/12/51/79/176125179.db2.gz MQHKNJPKEULACW-RULNRJAQSA-N 1 0 239.309 3.791 10 0 BHAERO C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(F)c(F)c1 ZINC000055237860 173459677 /nfs/dbraw/zinc/45/96/77/173459677.db2.gz HOZUKFDOGCYUIE-RISCZKNCSA-N 1 0 239.309 3.601 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1F ZINC000055239408 169281794 /nfs/dbraw/zinc/28/17/94/169281794.db2.gz VTVWWIFYSBYJBQ-TZMCWYRMSA-N 1 0 239.309 3.601 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1F ZINC000055239410 169291944 /nfs/dbraw/zinc/29/19/44/169291944.db2.gz VTVWWIFYSBYJBQ-OCCSQVGLSA-N 1 0 239.309 3.601 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1F ZINC000055239411 169282105 /nfs/dbraw/zinc/28/21/05/169282105.db2.gz VTVWWIFYSBYJBQ-GXTWGEPZSA-N 1 0 239.309 3.601 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1F ZINC000055239413 169292041 /nfs/dbraw/zinc/29/20/41/169292041.db2.gz VTVWWIFYSBYJBQ-JSGCOSHPSA-N 1 0 239.309 3.601 10 0 BHAERO CCOc1ccccc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000055239500 187271785 /nfs/dbraw/zinc/27/17/85/187271785.db2.gz HSIJMZIOTOGXMG-GFCCVEGCSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccccc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000055239503 188127301 /nfs/dbraw/zinc/12/73/01/188127301.db2.gz HSIJMZIOTOGXMG-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccccc1-c1cccc([C@H](C)[NH3+])c1 ZINC000055239515 187272267 /nfs/dbraw/zinc/27/22/67/187272267.db2.gz GFOZGCMXSQHRBJ-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccccc1-c1ccccc1[C@@H](C)[NH3+] ZINC000055239589 188300071 /nfs/dbraw/zinc/30/00/71/188300071.db2.gz OOMCVDSDXNPLMP-GFCCVEGCSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccccc1-c1ccccc1[C@H](C)[NH3+] ZINC000055239590 188127296 /nfs/dbraw/zinc/12/72/96/188127296.db2.gz OOMCVDSDXNPLMP-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1ccccc1C1([NH3+])CCC(CC)CC1 ZINC000055239923 170590365 /nfs/dbraw/zinc/59/03/65/170590365.db2.gz BOPRTRHLXFNHMI-UHFFFAOYSA-N 1 0 247.382 3.840 10 0 BHAERO CCOc1ccccc1[C@@H]([NH3+])C1CCCCC1 ZINC000055240453 170598497 /nfs/dbraw/zinc/59/84/97/170598497.db2.gz IBALYRSXXWUYOB-HNNXBMFYSA-N 1 0 233.355 3.665 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccccc1OCC ZINC000055240647 169277916 /nfs/dbraw/zinc/27/79/16/169277916.db2.gz RSQOLFYYJBIFLX-AWEZNQCLSA-N 1 0 235.371 3.926 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccccc1OCC ZINC000055240649 169289389 /nfs/dbraw/zinc/28/93/89/169289389.db2.gz RSQOLFYYJBIFLX-CQSZACIVSA-N 1 0 235.371 3.926 10 0 BHAERO CCOc1ccccc1[C@H]([NH3+])CCC(C)C ZINC000055240781 369156901 /nfs/dbraw/zinc/15/69/01/369156901.db2.gz QFUMVDJARWPEAH-CYBMUJFWSA-N 1 0 221.344 3.521 10 0 BHAERO CCOc1ccccc1[C@@H]([NH3+])CCC(C)C ZINC000055240784 369156910 /nfs/dbraw/zinc/15/69/10/369156910.db2.gz QFUMVDJARWPEAH-ZDUSSCGKSA-N 1 0 221.344 3.521 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1OCC ZINC000055241134 169281657 /nfs/dbraw/zinc/28/16/57/169281657.db2.gz VKZOCVNMKLXERT-UKRRQHHQSA-N 1 0 247.382 3.721 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1OCC ZINC000055241136 169291986 /nfs/dbraw/zinc/29/19/86/169291986.db2.gz VKZOCVNMKLXERT-HIFRSBDPSA-N 1 0 247.382 3.721 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1OCC ZINC000055241137 169281568 /nfs/dbraw/zinc/28/15/68/169281568.db2.gz VKZOCVNMKLXERT-DZGCQCFKSA-N 1 0 247.382 3.721 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1OCC ZINC000055241139 169291798 /nfs/dbraw/zinc/29/17/98/169291798.db2.gz VKZOCVNMKLXERT-ZFWWWQNUSA-N 1 0 247.382 3.721 10 0 BHAERO Cc1cccnc1[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000055241499 179397684 /nfs/dbraw/zinc/39/76/84/179397684.db2.gz ZDCYCXAOHCKTHV-OAHLLOKOSA-N 1 0 240.350 3.562 10 0 BHAERO Cc1cccnc1[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000055241501 179398365 /nfs/dbraw/zinc/39/83/65/179398365.db2.gz ZDCYCXAOHCKTHV-HNNXBMFYSA-N 1 0 240.350 3.562 10 0 BHAERO CC(C)c1ccc([C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000055241589 167621257 /nfs/dbraw/zinc/62/12/57/167621257.db2.gz IHBUDIDMOIXLBN-CABCVRRESA-N 1 0 217.356 3.795 10 0 BHAERO CC(C)c1ccc([C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000055241593 167620887 /nfs/dbraw/zinc/62/08/87/167620887.db2.gz IHBUDIDMOIXLBN-HUUCEWRRSA-N 1 0 217.356 3.795 10 0 BHAERO CCC[NH2+][C@H](CCOC)c1ccc(CCC)cc1 ZINC000055242084 169289174 /nfs/dbraw/zinc/28/91/74/169289174.db2.gz JSLPSKMYLSEWRM-MRXNPFEDSA-N 1 0 249.398 3.716 10 0 BHAERO CCC[NH2+][C@@H](CCOC)c1ccc(CCC)cc1 ZINC000055242086 169278526 /nfs/dbraw/zinc/27/85/26/169278526.db2.gz JSLPSKMYLSEWRM-INIZCTEOSA-N 1 0 249.398 3.716 10 0 BHAERO C[NH2+][C@H]1CCCCC[C@@H]1c1cc(F)ccc1F ZINC000055243762 173459871 /nfs/dbraw/zinc/45/98/71/173459871.db2.gz REEJTIUQKZELCT-RISCZKNCSA-N 1 0 239.309 3.601 10 0 BHAERO COc1ccc(C)cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000055243918 175072425 /nfs/dbraw/zinc/07/24/25/175072425.db2.gz YHOFCCUGJHMLHC-GFCCVEGCSA-N 1 0 241.334 3.690 10 0 BHAERO COc1ccc(C)cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000055243921 175072375 /nfs/dbraw/zinc/07/23/75/175072375.db2.gz YHOFCCUGJHMLHC-LBPRGKRZSA-N 1 0 241.334 3.690 10 0 BHAERO CC(C)Oc1ccc(C2([NH3+])CCC(C)CC2)cc1 ZINC000055261845 168160534 /nfs/dbraw/zinc/16/05/34/168160534.db2.gz WGHZNZVLBUARPA-UHFFFAOYSA-N 1 0 247.382 3.838 10 0 BHAERO CC(C)Oc1ccc(C2([NH3+])CCCCCC2)cc1 ZINC000055261858 167292772 /nfs/dbraw/zinc/29/27/72/167292772.db2.gz BQMULJAQNZGMOM-UHFFFAOYSA-N 1 0 247.382 3.982 10 0 BHAERO CCCOc1ccc([C@](C)([NH3+])[C@@H](C)CC)cc1 ZINC000055262416 169322624 /nfs/dbraw/zinc/32/26/24/169322624.db2.gz FDZOLSKHNBVTLL-SWLSCSKDSA-N 1 0 235.371 3.695 10 0 BHAERO CCCOc1ccc([C@@](C)([NH3+])[C@@H](C)CC)cc1 ZINC000055262417 169321840 /nfs/dbraw/zinc/32/18/40/169321840.db2.gz FDZOLSKHNBVTLL-WFASDCNBSA-N 1 0 235.371 3.695 10 0 BHAERO CCCOc1ccc([C@](C)([NH3+])[C@H](C)CC)cc1 ZINC000055262419 169322608 /nfs/dbraw/zinc/32/26/08/169322608.db2.gz FDZOLSKHNBVTLL-IUODEOHRSA-N 1 0 235.371 3.695 10 0 BHAERO CCCOc1ccc([C@@](C)([NH3+])[C@H](C)CC)cc1 ZINC000055262421 169321434 /nfs/dbraw/zinc/32/14/34/169321434.db2.gz FDZOLSKHNBVTLL-DOMZBBRYSA-N 1 0 235.371 3.695 10 0 BHAERO CCCOc1ccc([C@H]([NH3+])c2ccccc2)cc1 ZINC000055263533 169322231 /nfs/dbraw/zinc/32/22/31/169322231.db2.gz FGPGADRCQSRPBD-MRXNPFEDSA-N 1 0 241.334 3.524 10 0 BHAERO CCCOc1ccc([C@@H]([NH3+])c2ccccc2)cc1 ZINC000055263535 169321255 /nfs/dbraw/zinc/32/12/55/169321255.db2.gz FGPGADRCQSRPBD-INIZCTEOSA-N 1 0 241.334 3.524 10 0 BHAERO CCCOc1ccc([C@H]([NH2+]C)C2CCCC2)cc1 ZINC000055264131 169322325 /nfs/dbraw/zinc/32/23/25/169322325.db2.gz XJWHVAFARINRCE-MRXNPFEDSA-N 1 0 247.382 3.926 10 0 BHAERO CCCOc1ccc([C@@H]([NH2+]C)C2CCCC2)cc1 ZINC000055264133 169321517 /nfs/dbraw/zinc/32/15/17/169321517.db2.gz XJWHVAFARINRCE-INIZCTEOSA-N 1 0 247.382 3.926 10 0 BHAERO CCCOc1ccc([C@H]([NH3+])CCC(C)C)cc1 ZINC000055264298 169322389 /nfs/dbraw/zinc/32/23/89/169322389.db2.gz HMTFTMZWKTTYLA-OAHLLOKOSA-N 1 0 235.371 3.911 10 0 BHAERO CCCOc1ccc([C@@H]([NH3+])CCC(C)C)cc1 ZINC000055264300 169321781 /nfs/dbraw/zinc/32/17/81/169321781.db2.gz HMTFTMZWKTTYLA-HNNXBMFYSA-N 1 0 235.371 3.911 10 0 BHAERO COc1ccc(C)cc1[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000055264444 175081808 /nfs/dbraw/zinc/08/18/08/175081808.db2.gz OJPDCRREDCBHFV-NORZTCDRSA-N 1 0 247.382 3.830 10 0 BHAERO COc1ccc(C)cc1[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000055264448 175081976 /nfs/dbraw/zinc/08/19/76/175081976.db2.gz OJPDCRREDCBHFV-DETPVDSQSA-N 1 0 247.382 3.830 10 0 BHAERO CCCOc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C)cc1 ZINC000055265229 169321391 /nfs/dbraw/zinc/32/13/91/169321391.db2.gz LAOTXSSTWAQQRK-HOTGVXAUSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@H]2CCCC[C@@H]2[NH2+]C)cc1 ZINC000055265231 169322373 /nfs/dbraw/zinc/32/23/73/169322373.db2.gz LAOTXSSTWAQQRK-CVEARBPZSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@@H]2CCCC[C@H]2[NH2+]C)cc1 ZINC000055265233 169321530 /nfs/dbraw/zinc/32/15/30/169321530.db2.gz LAOTXSSTWAQQRK-JKSUJKDBSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@H]2CCCC[C@H]2[NH2+]C)cc1 ZINC000055265235 169322679 /nfs/dbraw/zinc/32/26/79/169322679.db2.gz LAOTXSSTWAQQRK-HZPDHXFCSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC)cc1 ZINC000055265340 169321804 /nfs/dbraw/zinc/32/18/04/169321804.db2.gz KVJXXYJOZQGOCA-HOTGVXAUSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@H]2CCC[C@@H]2[NH2+]CC)cc1 ZINC000055265342 169322482 /nfs/dbraw/zinc/32/24/82/169322482.db2.gz KVJXXYJOZQGOCA-CVEARBPZSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@@H]2CCC[C@H]2[NH2+]CC)cc1 ZINC000055265344 169321495 /nfs/dbraw/zinc/32/14/95/169321495.db2.gz KVJXXYJOZQGOCA-JKSUJKDBSA-N 1 0 247.382 3.721 10 0 BHAERO CCCOc1ccc([C@H]2CCC[C@H]2[NH2+]CC)cc1 ZINC000055265346 169322393 /nfs/dbraw/zinc/32/23/93/169322393.db2.gz KVJXXYJOZQGOCA-HZPDHXFCSA-N 1 0 247.382 3.721 10 0 BHAERO CCCCCC[C@@H](Cc1nc(C)cs1)[NH2+]C ZINC000055268072 168675984 /nfs/dbraw/zinc/67/59/84/168675984.db2.gz IWWKPICHEFJFIC-LBPRGKRZSA-N 1 0 240.416 3.552 10 0 BHAERO Cc1cc2[nH]c(Nc3ccccc3)[nH+]c2cc1C ZINC000057351761 525677285 /nfs/dbraw/zinc/67/72/85/525677285.db2.gz NEJSCLAINCVSES-UHFFFAOYSA-N 1 0 237.306 3.923 10 0 BHAERO CCCCc1ccc(C[NH2+]C(C)C)cc1 ZINC000057493547 169020388 /nfs/dbraw/zinc/02/03/88/169020388.db2.gz PBVWXSRPKQHIBL-UHFFFAOYSA-N 1 0 205.345 3.527 10 0 BHAERO CC(C)(C)c1ccc([C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000057498797 187955803 /nfs/dbraw/zinc/95/58/03/187955803.db2.gz PNUUDNWSHYRWHX-JSGCOSHPSA-N 1 0 217.356 3.579 10 0 BHAERO CC[C@H](C)c1ccc(C[NH2+]CC(C)C)cc1 ZINC000057501009 171410632 /nfs/dbraw/zinc/41/06/32/171410632.db2.gz NDGGJWKAMUJRGH-ZDUSSCGKSA-N 1 0 219.372 3.946 10 0 BHAERO C[C@@H]1C[NH2+]Cc2cc(-c3ccccc3)ccc21 ZINC000057516217 176330634 /nfs/dbraw/zinc/33/06/34/176330634.db2.gz AMCFKOWIRSUQOZ-GFCCVEGCSA-N 1 0 223.319 3.560 10 0 BHAERO CC(C)(C)c1ccc(C2(C)CC[NH2+]CC2)cc1 ZINC000057519876 187272781 /nfs/dbraw/zinc/27/27/81/187272781.db2.gz OILJWJOCHOXRIT-UHFFFAOYSA-N 1 0 231.383 3.625 10 0 BHAERO CC(C)Cc1ccc(C2(C)CC[NH2+]CC2)cc1 ZINC000057519891 187272845 /nfs/dbraw/zinc/27/28/45/187272845.db2.gz ZLXYCXGEXHRNAC-UHFFFAOYSA-N 1 0 231.383 3.526 10 0 BHAERO C[NH2+]C(C)(C)Cc1ccc(Cl)cc1Cl ZINC000057520006 173319943 /nfs/dbraw/zinc/31/99/43/173319943.db2.gz MGFMMGBZNFJAMK-UHFFFAOYSA-N 1 0 232.154 3.534 10 0 BHAERO C[NH2+]C(C)(C)Cc1ccc(Cl)c(Cl)c1 ZINC000057520009 173319987 /nfs/dbraw/zinc/31/99/87/173319987.db2.gz WXSQFLSUFRHVEN-UHFFFAOYSA-N 1 0 232.154 3.534 10 0 BHAERO COc1ccc(C[NH2+]CC(C)C)cc1C(C)C ZINC000057526529 188301875 /nfs/dbraw/zinc/30/18/75/188301875.db2.gz JIWBXNXYRWLDSH-UHFFFAOYSA-N 1 0 235.371 3.564 10 0 BHAERO CC[C@H](C)[NH2+]Cc1ccc(OC)c(C(C)C)c1 ZINC000057526536 171342766 /nfs/dbraw/zinc/34/27/66/171342766.db2.gz DQPKDRNDIVWSDU-LBPRGKRZSA-N 1 0 235.371 3.707 10 0 BHAERO COc1ccc(C(C)C)cc1C[NH2+]CC(C)C ZINC000057526541 175069362 /nfs/dbraw/zinc/06/93/62/175069362.db2.gz HWKCPQPCSLMDSE-UHFFFAOYSA-N 1 0 235.371 3.564 10 0 BHAERO CC[C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1OC ZINC000057526545 188127829 /nfs/dbraw/zinc/12/78/29/188127829.db2.gz VIAGSEBXFACZTC-GFCCVEGCSA-N 1 0 235.371 3.707 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1OC ZINC000057526548 171341990 /nfs/dbraw/zinc/34/19/90/171341990.db2.gz VIAGSEBXFACZTC-LBPRGKRZSA-N 1 0 235.371 3.707 10 0 BHAERO COc1ccc(C[NH2+]CC(C)C)cc1C(C)(C)C ZINC000057537974 187273095 /nfs/dbraw/zinc/27/30/95/187273095.db2.gz OHOOMDDHXMNVAG-UHFFFAOYSA-N 1 0 249.398 3.738 10 0 BHAERO CC[C@H](C)[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1 ZINC000057537976 171343129 /nfs/dbraw/zinc/34/31/29/171343129.db2.gz GDMMOSVDIFVVQW-LBPRGKRZSA-N 1 0 249.398 3.881 10 0 BHAERO COc1ccc(C(C)(C)C)cc1C[NH2+]CC(C)C ZINC000057537978 175066957 /nfs/dbraw/zinc/06/69/57/175066957.db2.gz YQZAVIRWVOHMKJ-UHFFFAOYSA-N 1 0 249.398 3.738 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cc(C(C)(C)C)ccc1OC ZINC000057537980 171342449 /nfs/dbraw/zinc/34/24/49/171342449.db2.gz DMIGHAHBBANKLR-LBPRGKRZSA-N 1 0 249.398 3.881 10 0 BHAERO CCC(CC)C[N@H+](CC)c1ccc(N)cc1C ZINC000057580326 168350668 /nfs/dbraw/zinc/35/06/68/168350668.db2.gz HRQMIMUWZBKEHF-UHFFFAOYSA-N 1 0 234.387 3.840 10 0 BHAERO CCC(CC)C[N@H+](CC)c1ccc(N)c(C)c1 ZINC000057580328 168351230 /nfs/dbraw/zinc/35/12/30/168351230.db2.gz QUOUXFOVTCSKHF-UHFFFAOYSA-N 1 0 234.387 3.840 10 0 BHAERO Cc1cc(N)ccc1[NH+](CC(C)C)CC(C)C ZINC000057580332 178105818 /nfs/dbraw/zinc/10/58/18/178105818.db2.gz BOVXYSRRVREKNC-UHFFFAOYSA-N 1 0 234.387 3.696 10 0 BHAERO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000057591420 387837632 /nfs/dbraw/zinc/83/76/32/387837632.db2.gz SIMXOPFWXNYCHB-SWLSCSKDSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1ccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000057591424 387837232 /nfs/dbraw/zinc/83/72/32/387837232.db2.gz SIMXOPFWXNYCHB-WFASDCNBSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000057591426 178628934 /nfs/dbraw/zinc/62/89/34/178628934.db2.gz SIMXOPFWXNYCHB-IUODEOHRSA-N 1 0 246.398 3.694 10 0 BHAERO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000057591428 387836846 /nfs/dbraw/zinc/83/68/46/387836846.db2.gz SIMXOPFWXNYCHB-DOMZBBRYSA-N 1 0 246.398 3.694 10 0 BHAERO CC(C)(C[NH3+])CCOc1cccc2ccccc21 ZINC000057713826 187273073 /nfs/dbraw/zinc/27/30/73/187273073.db2.gz YTOJJWWFUJCGSX-UHFFFAOYSA-N 1 0 243.350 3.594 10 0 BHAERO Cc1cccc(OCCCCC(C)(C)C[NH3+])c1 ZINC000057713853 179164576 /nfs/dbraw/zinc/16/45/76/179164576.db2.gz JCOKOPMCVBITPZ-UHFFFAOYSA-N 1 0 235.371 3.529 10 0 BHAERO CC(C)c1cccc(OCCC(C)(C)C[NH3+])c1 ZINC000057714076 167634645 /nfs/dbraw/zinc/63/46/45/167634645.db2.gz PXFMLVIREIIHGN-UHFFFAOYSA-N 1 0 235.371 3.564 10 0 BHAERO CC(C)c1ccc(OCCC(C)(C)C[NH3+])cc1 ZINC000057714078 167609395 /nfs/dbraw/zinc/60/93/95/167609395.db2.gz YEBUAALBQDMRPY-UHFFFAOYSA-N 1 0 235.371 3.564 10 0 BHAERO CCC(CC)(C[NH3+])CCCOc1ccccc1 ZINC000057714147 168322800 /nfs/dbraw/zinc/32/28/00/168322800.db2.gz ZIWQNKVQKPGZDX-UHFFFAOYSA-N 1 0 235.371 3.611 10 0 BHAERO Cc1ccc(SC[C@H]([NH3+])c2ccccc2)cc1 ZINC000058824677 385026315 /nfs/dbraw/zinc/02/63/15/385026315.db2.gz KPLHLBPPAUHEBZ-HNNXBMFYSA-N 1 0 243.375 3.787 10 0 BHAERO Cc1ccc(SC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000058824683 178828394 /nfs/dbraw/zinc/82/83/94/178828394.db2.gz KPLHLBPPAUHEBZ-OAHLLOKOSA-N 1 0 243.375 3.787 10 0 BHAERO CCC[NH2+]CCOc1c(C)cccc1C(C)(C)C ZINC000058840298 169260393 /nfs/dbraw/zinc/26/03/93/169260393.db2.gz VVDWBZVBGHXLFR-UHFFFAOYSA-N 1 0 249.398 3.671 10 0 BHAERO CCCCCN(CCCCC)CC[NH2+]C(C)C ZINC000058847789 368333826 /nfs/dbraw/zinc/33/38/26/368333826.db2.gz BZEUCZLLAIQDTL-UHFFFAOYSA-N 1 0 242.451 3.667 10 0 BHAERO CC1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000058872530 640752193 /nfs/dbraw/zinc/75/21/93/640752193.db2.gz WYKDYAORMMMCDX-UHFFFAOYSA-N 1 0 231.383 3.645 10 0 BHAERO Cc1cc(N)ccc1[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000058999339 178105766 /nfs/dbraw/zinc/10/57/66/178105766.db2.gz KGVBXRKZAYPOGY-SMDDNHRTSA-N 1 0 232.371 3.592 10 0 BHAERO Cc1cc(N)ccc1[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000058999341 178105525 /nfs/dbraw/zinc/10/55/25/178105525.db2.gz KGVBXRKZAYPOGY-FZMZJTMJSA-N 1 0 232.371 3.592 10 0 BHAERO Cc1cc([N@@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1N ZINC000058999345 178100102 /nfs/dbraw/zinc/10/01/02/178100102.db2.gz WYZJUAMFLMDXBC-XHDPSFHLSA-N 1 0 232.371 3.592 10 0 BHAERO Cc1cc([N@@H+](C)[C@H]2CCCC[C@@H]2C)ccc1N ZINC000058999347 178100753 /nfs/dbraw/zinc/10/07/53/178100753.db2.gz WYZJUAMFLMDXBC-NHYWBVRUSA-N 1 0 232.371 3.592 10 0 BHAERO Cc1cc([NH+](CC(C)C)CC(C)C)ccc1N ZINC000059245335 178101663 /nfs/dbraw/zinc/10/16/63/178101663.db2.gz MUTNXPJIXXYPBX-UHFFFAOYSA-N 1 0 234.387 3.696 10 0 BHAERO CCC[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC000059449416 169526358 /nfs/dbraw/zinc/52/63/58/169526358.db2.gz UFZXVTFENBJERI-UONOGXRCSA-N 1 0 203.329 3.670 10 0 BHAERO CC(C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000059785821 349253020 /nfs/dbraw/zinc/25/30/20/349253020.db2.gz WHILFHJZLNWHQH-CQSZACIVSA-N 1 0 245.366 3.821 10 0 BHAERO CC(C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000059785824 349253364 /nfs/dbraw/zinc/25/33/64/349253364.db2.gz WHILFHJZLNWHQH-AWEZNQCLSA-N 1 0 245.366 3.821 10 0 BHAERO [NH3+][C@H](CCSc1ccccc1)c1ccccc1 ZINC000059834983 343713721 /nfs/dbraw/zinc/71/37/21/343713721.db2.gz UQNSDXZEVCCOII-OAHLLOKOSA-N 1 0 243.375 3.869 10 0 BHAERO [NH3+][C@@H](CCSc1ccccc1)c1ccccc1 ZINC000059834984 343713734 /nfs/dbraw/zinc/71/37/34/343713734.db2.gz UQNSDXZEVCCOII-HNNXBMFYSA-N 1 0 243.375 3.869 10 0 BHAERO [NH3+][C@H](CCSCc1ccco1)c1ccccc1 ZINC000059835026 347230869 /nfs/dbraw/zinc/23/08/69/347230869.db2.gz ZFBRMETWDBEERB-CQSZACIVSA-N 1 0 247.363 3.603 10 0 BHAERO [NH3+][C@@H](CCSCc1ccco1)c1ccccc1 ZINC000059835028 347231189 /nfs/dbraw/zinc/23/11/89/347231189.db2.gz ZFBRMETWDBEERB-AWEZNQCLSA-N 1 0 247.363 3.603 10 0 BHAERO c1ccc(-c2cccc(C3=CC[NH2+]CC3)c2)cc1 ZINC000060329408 368335762 /nfs/dbraw/zinc/33/57/62/368335762.db2.gz BBPBBXMDHAUWHA-UHFFFAOYSA-N 1 0 235.330 3.730 10 0 BHAERO C[C@@H]1CCCC[C@@H]1N(C)C(=[NH2+])Nc1ccccc1 ZINC000060393339 176077624 /nfs/dbraw/zinc/07/76/24/176077624.db2.gz SIBCTFCMVBLSMT-OCCSQVGLSA-N 1 0 245.370 3.544 10 0 BHAERO C[C@H]1CCCC[C@@H]1N(C)C(=[NH2+])Nc1ccccc1 ZINC000060393340 177080941 /nfs/dbraw/zinc/08/09/41/177080941.db2.gz SIBCTFCMVBLSMT-JSGCOSHPSA-N 1 0 245.370 3.544 10 0 BHAERO CC[C@H](C)C[C@@H](Cc1cc(F)cc(F)c1)[NH2+]C ZINC000060696292 171296753 /nfs/dbraw/zinc/29/67/53/171296753.db2.gz JPNUKMHBHPCKTP-HZMBPMFUSA-N 1 0 241.325 3.532 10 0 BHAERO CC[C@H](C)C[C@H](Cc1cc(F)cc(F)c1)[NH2+]C ZINC000060696296 171299522 /nfs/dbraw/zinc/29/95/22/171299522.db2.gz JPNUKMHBHPCKTP-IINYFYTJSA-N 1 0 241.325 3.532 10 0 BHAERO C[NH2+][C@H](CCC(C)(C)C)Cc1ccccc1F ZINC000060696860 173452088 /nfs/dbraw/zinc/45/20/88/173452088.db2.gz AGANAWTYWKNKMK-CYBMUJFWSA-N 1 0 237.362 3.783 10 0 BHAERO CCCCC[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000060698486 344182586 /nfs/dbraw/zinc/18/25/86/344182586.db2.gz WJOHOBCKTNXYLJ-LBPRGKRZSA-N 1 0 213.271 3.545 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000060698488 344182804 /nfs/dbraw/zinc/18/28/04/344182804.db2.gz WJOHOBCKTNXYLJ-GFCCVEGCSA-N 1 0 213.271 3.545 10 0 BHAERO CC(C)CC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699034 344183060 /nfs/dbraw/zinc/18/30/60/344183060.db2.gz LZQWVGLMOXRSPF-NSHDSACASA-N 1 0 231.261 3.540 10 0 BHAERO CC(C)CC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699036 344183046 /nfs/dbraw/zinc/18/30/46/344183046.db2.gz LZQWVGLMOXRSPF-LLVKDONJSA-N 1 0 231.261 3.540 10 0 BHAERO CCCCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699038 344182651 /nfs/dbraw/zinc/18/26/51/344182651.db2.gz ZPELVNOKKCVCPQ-NSHDSACASA-N 1 0 231.261 3.684 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699042 344183009 /nfs/dbraw/zinc/18/30/09/344183009.db2.gz ZPELVNOKKCVCPQ-LLVKDONJSA-N 1 0 231.261 3.684 10 0 BHAERO CCC[C@@H](C)C[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699140 169361290 /nfs/dbraw/zinc/36/12/90/169361290.db2.gz DCUAAIMQEBGJRE-PELKAZGASA-N 1 0 245.288 3.930 10 0 BHAERO CCC[C@@H](C)C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699144 169361772 /nfs/dbraw/zinc/36/17/72/169361772.db2.gz DCUAAIMQEBGJRE-PRHODGIISA-N 1 0 245.288 3.930 10 0 BHAERO C[NH2+][C@@H](CCC(C)(C)C)Cc1ccccc1C ZINC000060699773 173422703 /nfs/dbraw/zinc/42/27/03/173422703.db2.gz MSJIXACBQMMBGR-HNNXBMFYSA-N 1 0 233.399 3.952 10 0 BHAERO CCCC[C@H]([NH3+])c1ccccc1Br ZINC000060699876 344183048 /nfs/dbraw/zinc/18/30/48/344183048.db2.gz NHAVFWOESZJBJZ-NSHDSACASA-N 1 0 242.160 3.639 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccccc1Br ZINC000060699877 344183042 /nfs/dbraw/zinc/18/30/42/344183042.db2.gz NHAVFWOESZJBJZ-LLVKDONJSA-N 1 0 242.160 3.639 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(C)c1)C[C@H](C)CC ZINC000060700443 170162367 /nfs/dbraw/zinc/16/23/67/170162367.db2.gz QORHHCFPARDCNA-CJNGLKHVSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@H](Cc1cccc(C)c1)C[C@@H](C)CC ZINC000060700444 170162523 /nfs/dbraw/zinc/16/25/23/170162523.db2.gz QORHHCFPARDCNA-BBRMVZONSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(C)c1)C[C@H](C)CC ZINC000060700446 170145857 /nfs/dbraw/zinc/14/58/57/170145857.db2.gz QORHHCFPARDCNA-CZUORRHYSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@@H](Cc1cccc(C)c1)C[C@@H](C)CC ZINC000060700448 170146769 /nfs/dbraw/zinc/14/67/69/170146769.db2.gz QORHHCFPARDCNA-XJKSGUPXSA-N 1 0 233.399 3.952 10 0 BHAERO CC[NH2+][C@@H](CCC(C)(C)C)c1ncccc1C ZINC000060701069 170145590 /nfs/dbraw/zinc/14/55/90/170145590.db2.gz VIWNOQOSDPBPFE-ZDUSSCGKSA-N 1 0 234.387 3.867 10 0 BHAERO CC[NH2+][C@H](CCC(C)(C)C)c1ncccc1C ZINC000060701071 170161958 /nfs/dbraw/zinc/16/19/58/170161958.db2.gz VIWNOQOSDPBPFE-CYBMUJFWSA-N 1 0 234.387 3.867 10 0 BHAERO CC1CCC([C@H]([NH3+])CCOc2ccccc2)CC1 ZINC000060703058 187612723 /nfs/dbraw/zinc/61/27/23/187612723.db2.gz KIBITXHECVGDPH-ZBCRRDGASA-N 1 0 247.382 3.609 10 0 BHAERO CC1CCC([C@@H]([NH3+])CCOc2ccccc2)CC1 ZINC000060703059 187612554 /nfs/dbraw/zinc/61/25/54/187612554.db2.gz KIBITXHECVGDPH-XUJLQICISA-N 1 0 247.382 3.609 10 0 BHAERO Cc1ccc(F)cc1[C@H]([NH3+])CCC(C)C ZINC000060704481 344190050 /nfs/dbraw/zinc/19/00/50/344190050.db2.gz JGWXTJBURZZSTB-CYBMUJFWSA-N 1 0 209.308 3.570 10 0 BHAERO Cc1ccc(F)cc1[C@@H]([NH3+])CCC(C)C ZINC000060704483 344189608 /nfs/dbraw/zinc/18/96/08/344189608.db2.gz JGWXTJBURZZSTB-ZDUSSCGKSA-N 1 0 209.308 3.570 10 0 BHAERO CCCCC[C@H]([NH3+])c1cc(F)ccc1C ZINC000060704486 344189973 /nfs/dbraw/zinc/18/99/73/344189973.db2.gz RRYRYORTTDVIMK-ZDUSSCGKSA-N 1 0 209.308 3.714 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cc(F)ccc1C ZINC000060704487 344189771 /nfs/dbraw/zinc/18/97/71/344189771.db2.gz RRYRYORTTDVIMK-CYBMUJFWSA-N 1 0 209.308 3.714 10 0 BHAERO CC[NH2+][C@@H](Cc1cccnc1)CC1CCCCC1 ZINC000060708168 170146407 /nfs/dbraw/zinc/14/64/07/170146407.db2.gz BKNSGAVWGWWBEP-MRXNPFEDSA-N 1 0 246.398 3.573 10 0 BHAERO CC[NH2+][C@H](Cc1cccnc1)CC1CCCCC1 ZINC000060708171 170163221 /nfs/dbraw/zinc/16/32/21/170163221.db2.gz BKNSGAVWGWWBEP-INIZCTEOSA-N 1 0 246.398 3.573 10 0 BHAERO CCCCC[C@H](Cc1cccnc1)[NH2+]CCC ZINC000060708402 168745186 /nfs/dbraw/zinc/74/51/86/168745186.db2.gz KERVFUYIOJNMPU-OAHLLOKOSA-N 1 0 234.387 3.573 10 0 BHAERO CCC[NH2+][C@@H](CCC(C)(C)C)Cc1cccnc1 ZINC000060708629 169278045 /nfs/dbraw/zinc/27/80/45/169278045.db2.gz VLXXXWPLIKRMCS-HNNXBMFYSA-N 1 0 248.414 3.819 10 0 BHAERO CCC[NH2+][C@H](CCC(C)(C)C)Cc1cccnc1 ZINC000060708631 169289093 /nfs/dbraw/zinc/28/90/93/169289093.db2.gz VLXXXWPLIKRMCS-OAHLLOKOSA-N 1 0 248.414 3.819 10 0 BHAERO CCCCCC[C@@H](Cc1ccncc1)[NH2+]CCC ZINC000060709653 168676689 /nfs/dbraw/zinc/67/66/89/168676689.db2.gz VYYCPFAORJMHFR-INIZCTEOSA-N 1 0 248.414 3.963 10 0 BHAERO CC(C)(C)c1ccc([C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000060713823 187783050 /nfs/dbraw/zinc/78/30/50/187783050.db2.gz KENQSAVADDNDRX-GJZGRUSLSA-N 1 0 231.383 3.969 10 0 BHAERO CC(C)(C)c1ccc([C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000060713827 188302497 /nfs/dbraw/zinc/30/24/97/188302497.db2.gz KENQSAVADDNDRX-LSDHHAIUSA-N 1 0 231.383 3.969 10 0 BHAERO [NH3+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000060713988 385098008 /nfs/dbraw/zinc/09/80/08/385098008.db2.gz OBOYFJCCZPJIHL-KWQFWETISA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000060713989 385099557 /nfs/dbraw/zinc/09/95/57/385099557.db2.gz OBOYFJCCZPJIHL-KCJUWKMLSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000060713991 385098225 /nfs/dbraw/zinc/09/82/25/385098225.db2.gz OBOYFJCCZPJIHL-GZMMTYOYSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000060713993 181581979 /nfs/dbraw/zinc/58/19/79/181581979.db2.gz OBOYFJCCZPJIHL-LDYMZIIASA-N 1 0 230.138 3.588 10 0 BHAERO CC(C)(C)c1ccc([C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000060714238 188128600 /nfs/dbraw/zinc/12/86/00/188128600.db2.gz XETDNHIHBRZWQB-KGLIPLIRSA-N 1 0 217.356 3.579 10 0 BHAERO CC(C)(C)c1ccc([C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000060714243 187783335 /nfs/dbraw/zinc/78/33/35/187783335.db2.gz XETDNHIHBRZWQB-UONOGXRCSA-N 1 0 217.356 3.579 10 0 BHAERO [NH3+][C@@H]1CCCCC[C@H]1c1cnc2ccccc2c1 ZINC000060714411 181573439 /nfs/dbraw/zinc/57/34/39/181573439.db2.gz GITBRQBRCLNXRQ-LSDHHAIUSA-N 1 0 240.350 3.610 10 0 BHAERO [NH3+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000060714428 385099405 /nfs/dbraw/zinc/09/94/05/385099405.db2.gz INHJKJSVIIXHQH-STQMWFEESA-N 1 0 223.747 3.715 10 0 BHAERO [NH3+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000060714432 385099068 /nfs/dbraw/zinc/09/90/68/385099068.db2.gz INHJKJSVIIXHQH-OLZOCXBDSA-N 1 0 223.747 3.715 10 0 BHAERO [NH3+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000060714436 385099592 /nfs/dbraw/zinc/09/95/92/385099592.db2.gz INHJKJSVIIXHQH-QWHCGFSZSA-N 1 0 223.747 3.715 10 0 BHAERO [NH3+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000060714439 385098590 /nfs/dbraw/zinc/09/85/90/385098590.db2.gz INHJKJSVIIXHQH-CHWSQXEVSA-N 1 0 223.747 3.715 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cc(C)ccc1C ZINC000060715536 170150541 /nfs/dbraw/zinc/15/05/41/170150541.db2.gz ZURAVMJNGUOTGD-GDBMZVCRSA-N 1 0 231.383 3.939 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cc(C)ccc1C ZINC000060715539 170165965 /nfs/dbraw/zinc/16/59/65/170165965.db2.gz ZURAVMJNGUOTGD-ZBFHGGJFSA-N 1 0 231.383 3.939 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cc(C)ccc1C ZINC000060715544 170150953 /nfs/dbraw/zinc/15/09/53/170150953.db2.gz ZURAVMJNGUOTGD-GOEBONIOSA-N 1 0 231.383 3.939 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1cc(C)cc(C)c1 ZINC000060716354 169281911 /nfs/dbraw/zinc/28/19/11/169281911.db2.gz CBZDXATZEGTKLM-HZPDHXFCSA-N 1 0 231.383 3.939 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1cc(C)cc(C)c1 ZINC000060716355 169291313 /nfs/dbraw/zinc/29/13/13/169291313.db2.gz CBZDXATZEGTKLM-CVEARBPZSA-N 1 0 231.383 3.939 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC000060716357 169282045 /nfs/dbraw/zinc/28/20/45/169282045.db2.gz CBZDXATZEGTKLM-JKSUJKDBSA-N 1 0 231.383 3.939 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC000060716358 169291436 /nfs/dbraw/zinc/29/14/36/169291436.db2.gz CBZDXATZEGTKLM-HOTGVXAUSA-N 1 0 231.383 3.939 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(CC)cc1 ZINC000060716550 169282341 /nfs/dbraw/zinc/28/23/41/169282341.db2.gz WXRNQJCLWDPGLL-HZPDHXFCSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(CC)cc1 ZINC000060716552 169291970 /nfs/dbraw/zinc/29/19/70/169291970.db2.gz WXRNQJCLWDPGLL-CVEARBPZSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(CC)cc1 ZINC000060716554 169282299 /nfs/dbraw/zinc/28/22/99/169282299.db2.gz WXRNQJCLWDPGLL-JKSUJKDBSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(CC)cc1 ZINC000060716557 169291641 /nfs/dbraw/zinc/29/16/41/169291641.db2.gz WXRNQJCLWDPGLL-HOTGVXAUSA-N 1 0 231.383 3.885 10 0 BHAERO C[NH2+][C@H]1CCCCC[C@@H]1c1cc(C)cc(C)c1 ZINC000060716673 173459608 /nfs/dbraw/zinc/45/96/08/173459608.db2.gz RHACMYXCBYTYMT-CVEARBPZSA-N 1 0 231.383 3.939 10 0 BHAERO CCc1ccc([C@H]2CCCCC[C@H]2[NH2+]C)cc1 ZINC000060716876 171844526 /nfs/dbraw/zinc/84/45/26/171844526.db2.gz WTYNZKUOOJHDLZ-HZPDHXFCSA-N 1 0 231.383 3.885 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000060717084 170150895 /nfs/dbraw/zinc/15/08/95/170150895.db2.gz ZBTFFWCAFOLLBN-HZPDHXFCSA-N 1 0 247.382 3.721 10 0 BHAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000060717086 170165892 /nfs/dbraw/zinc/16/58/92/170165892.db2.gz ZBTFFWCAFOLLBN-CVEARBPZSA-N 1 0 247.382 3.721 10 0 BHAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000060717088 170150661 /nfs/dbraw/zinc/15/06/61/170150661.db2.gz ZBTFFWCAFOLLBN-JKSUJKDBSA-N 1 0 247.382 3.721 10 0 BHAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000060717090 170165669 /nfs/dbraw/zinc/16/56/69/170165669.db2.gz ZBTFFWCAFOLLBN-HOTGVXAUSA-N 1 0 247.382 3.721 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)s1 ZINC000061120817 170126595 /nfs/dbraw/zinc/12/65/95/170126595.db2.gz XGYRTPXFUIPSRI-UHFFFAOYSA-N 1 0 249.354 3.972 10 0 BHAERO CC[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)o1 ZINC000061121057 170126991 /nfs/dbraw/zinc/12/69/91/170126991.db2.gz YHHGWZDFPRYSMD-UHFFFAOYSA-N 1 0 233.286 3.504 10 0 BHAERO C[C@@H]([NH3+])c1cccc(-c2cccc3cnccc32)c1 ZINC000061123292 175818445 /nfs/dbraw/zinc/81/84/45/175818445.db2.gz QMMNNBKLTQLPQU-GFCCVEGCSA-N 1 0 248.329 3.922 10 0 BHAERO CC1CCC([NH3+])(c2cccc3cnccc32)CC1 ZINC000061123461 168159522 /nfs/dbraw/zinc/15/95/22/168159522.db2.gz HFZSZOZUZHCIRM-UHFFFAOYSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@@H]1CCCC[C@]1([NH3+])c1cccc2cnccc21 ZINC000061123473 176091276 /nfs/dbraw/zinc/09/12/76/176091276.db2.gz RLDXCGYUBRKLPA-MLGOLLRUSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCCC[C@]1([NH3+])c1cccc2cnccc21 ZINC000061123474 177090303 /nfs/dbraw/zinc/09/03/03/177090303.db2.gz RLDXCGYUBRKLPA-BLLLJJGKSA-N 1 0 240.350 3.599 10 0 BHAERO C[C@@H]1CCCC[C@@]1([NH3+])c1cccc2cnccc21 ZINC000061123475 176083269 /nfs/dbraw/zinc/08/32/69/176083269.db2.gz RLDXCGYUBRKLPA-WBMJQRKESA-N 1 0 240.350 3.599 10 0 BHAERO C[C@H]1CCCC[C@@]1([NH3+])c1cccc2cnccc21 ZINC000061123476 177085190 /nfs/dbraw/zinc/08/51/90/177085190.db2.gz RLDXCGYUBRKLPA-LRDDRELGSA-N 1 0 240.350 3.599 10 0 BHAERO [NH3+][C@H](c1cccc2cnccc21)C1CCCCC1 ZINC000061124024 181632379 /nfs/dbraw/zinc/63/23/79/181632379.db2.gz FLIMKBBRYHHHAA-INIZCTEOSA-N 1 0 240.350 3.815 10 0 BHAERO CCC[NH2+][C@@H](c1cccc2cnccc21)C1CC1 ZINC000061124236 169280273 /nfs/dbraw/zinc/28/02/73/169280273.db2.gz GYLBWJMYODGRJL-MRXNPFEDSA-N 1 0 240.350 3.686 10 0 BHAERO CCC[NH2+][C@H](c1cccc2cnccc21)C1CC1 ZINC000061124237 169290871 /nfs/dbraw/zinc/29/08/71/169290871.db2.gz GYLBWJMYODGRJL-INIZCTEOSA-N 1 0 240.350 3.686 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc2cnccc21)C(C)C ZINC000061125484 170902939 /nfs/dbraw/zinc/90/29/39/170902939.db2.gz OMYOBJNOUMDANT-MRXNPFEDSA-N 1 0 242.366 3.759 10 0 BHAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCCSC1 ZINC000061578491 385121560 /nfs/dbraw/zinc/12/15/60/385121560.db2.gz OZPJLRLFFLOBJZ-LLVKDONJSA-N 1 0 229.433 3.686 10 0 BHAERO CC(C)(C)CC(C)(C)[NH2+][C@H]1CCCSC1 ZINC000061578495 166553948 /nfs/dbraw/zinc/55/39/48/166553948.db2.gz OZPJLRLFFLOBJZ-NSHDSACASA-N 1 0 229.433 3.686 10 0 BHAERO CC(C)Oc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000061666035 167308536 /nfs/dbraw/zinc/30/85/36/167308536.db2.gz LRGSUQFIBOZWEJ-HNNXBMFYSA-N 1 0 233.355 3.679 10 0 BHAERO CC(C)Oc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000061666036 167308436 /nfs/dbraw/zinc/30/84/36/167308436.db2.gz LRGSUQFIBOZWEJ-OAHLLOKOSA-N 1 0 233.355 3.679 10 0 BHAERO CC(C)Oc1cccc([C@H]([NH3+])c2cccs2)c1 ZINC000061666136 167308680 /nfs/dbraw/zinc/30/86/80/167308680.db2.gz NGOVSQHWLDDCDX-AWEZNQCLSA-N 1 0 247.363 3.583 10 0 BHAERO CC(C)Oc1cccc([C@@H]([NH3+])c2cccs2)c1 ZINC000061666137 167308262 /nfs/dbraw/zinc/30/82/62/167308262.db2.gz NGOVSQHWLDDCDX-CQSZACIVSA-N 1 0 247.363 3.583 10 0 BHAERO CC(C)Oc1cccc([C@H]([NH3+])C2=CCCCC2)c1 ZINC000061666369 167308100 /nfs/dbraw/zinc/30/81/00/167308100.db2.gz FKJXUBUXIPJMEQ-MRXNPFEDSA-N 1 0 245.366 3.974 10 0 BHAERO CC(C)Oc1cccc([C@@H]([NH3+])C2=CCCCC2)c1 ZINC000061666371 167308375 /nfs/dbraw/zinc/30/83/75/167308375.db2.gz FKJXUBUXIPJMEQ-INIZCTEOSA-N 1 0 245.366 3.974 10 0 BHAERO CCCOc1cccc([C@H]([NH3+])C2=CCCC2)c1 ZINC000061667736 169325730 /nfs/dbraw/zinc/32/57/30/169325730.db2.gz IYPGOUBEXRIIDI-OAHLLOKOSA-N 1 0 231.339 3.586 10 0 BHAERO CCCOc1cccc([C@@H]([NH3+])C2=CCCC2)c1 ZINC000061667737 169326036 /nfs/dbraw/zinc/32/60/36/169326036.db2.gz IYPGOUBEXRIIDI-HNNXBMFYSA-N 1 0 231.339 3.586 10 0 BHAERO CCC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669761 169255385 /nfs/dbraw/zinc/25/53/85/169255385.db2.gz PIGUAODQINJRJX-UHFFFAOYSA-N 1 0 237.346 3.680 10 0 BHAERO CC(C)[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669770 167093809 /nfs/dbraw/zinc/09/38/09/167093809.db2.gz FKAXIPVPFXLKPN-UHFFFAOYSA-N 1 0 237.346 3.678 10 0 BHAERO c1ccc2c(c1)Cc1ccccc1C2[NH2+]CC1CC1 ZINC000061669781 183451308 /nfs/dbraw/zinc/45/13/08/183451308.db2.gz IBUOHKFLFLSBDA-UHFFFAOYSA-N 1 0 249.357 3.680 10 0 BHAERO CC[C@H](C)c1ccc([C@@H]([NH3+])C2CCOCC2)cc1 ZINC000061671431 171411856 /nfs/dbraw/zinc/41/18/56/171411856.db2.gz GOUCWEFKHJYKHD-BLLLJJGKSA-N 1 0 247.382 3.627 10 0 BHAERO CCC[NH2+]CC1(CCC(C)(C)C)CCOCC1 ZINC000061674270 169257109 /nfs/dbraw/zinc/25/71/09/169257109.db2.gz IKVWKMKXYFLCJX-UHFFFAOYSA-N 1 0 241.419 3.609 10 0 BHAERO CC[NH2+]CC1(c2ccc(C)c(C)c2)CCCC1 ZINC000061682130 170110196 /nfs/dbraw/zinc/11/01/96/170110196.db2.gz HTHIQMSBACVPMA-UHFFFAOYSA-N 1 0 231.383 3.725 10 0 BHAERO CCc1ccc(C[C@@H](C(C)C)[C@H](C)[NH2+]C)cc1 ZINC000061686735 171814051 /nfs/dbraw/zinc/81/40/51/171814051.db2.gz MQWLGBYGMPOFEP-BBRMVZONSA-N 1 0 233.399 3.672 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](Cc1cccc(OC)c1)C(C)C ZINC000061686885 170140827 /nfs/dbraw/zinc/14/08/27/170140827.db2.gz BGQKFEBSARMUMZ-BBRMVZONSA-N 1 0 249.398 3.508 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](Cc1cccc(OC)c1)C(C)C ZINC000061686886 170158351 /nfs/dbraw/zinc/15/83/51/170158351.db2.gz BGQKFEBSARMUMZ-CJNGLKHVSA-N 1 0 249.398 3.508 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](Cc1cccc(OC)c1)C(C)C ZINC000061686887 170140643 /nfs/dbraw/zinc/14/06/43/170140643.db2.gz BGQKFEBSARMUMZ-XJKSGUPXSA-N 1 0 249.398 3.508 10 0 BHAERO CC[NH2+][C@H](C)[C@H](Cc1cccc(OC)c1)C(C)C ZINC000061686888 170158225 /nfs/dbraw/zinc/15/82/25/170158225.db2.gz BGQKFEBSARMUMZ-CZUORRHYSA-N 1 0 249.398 3.508 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](Cc1ccc(C)cc1)C(C)C ZINC000061686933 170140627 /nfs/dbraw/zinc/14/06/27/170140627.db2.gz BZIOTVMFEBMIDN-HOCLYGCPSA-N 1 0 233.399 3.808 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](Cc1ccc(C)cc1)C(C)C ZINC000061686934 170158739 /nfs/dbraw/zinc/15/87/39/170158739.db2.gz BZIOTVMFEBMIDN-ZBFHGGJFSA-N 1 0 233.399 3.808 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](Cc1ccc(C)cc1)C(C)C ZINC000061686935 170140717 /nfs/dbraw/zinc/14/07/17/170140717.db2.gz BZIOTVMFEBMIDN-GOEBONIOSA-N 1 0 233.399 3.808 10 0 BHAERO CC[NH2+][C@H](C)[C@H](Cc1ccc(C)cc1)C(C)C ZINC000061686936 170158660 /nfs/dbraw/zinc/15/86/60/170158660.db2.gz BZIOTVMFEBMIDN-GDBMZVCRSA-N 1 0 233.399 3.808 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](CCOCCC(C)C)C(C)C ZINC000061687041 170141425 /nfs/dbraw/zinc/14/14/25/170141425.db2.gz JWJMGJANZGXTKY-GJZGRUSLSA-N 1 0 243.435 3.709 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](CCOCCC(C)C)C(C)C ZINC000061687042 170158209 /nfs/dbraw/zinc/15/82/09/170158209.db2.gz JWJMGJANZGXTKY-CABCVRRESA-N 1 0 243.435 3.709 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](CCOCCC(C)C)C(C)C ZINC000061687043 170140921 /nfs/dbraw/zinc/14/09/21/170140921.db2.gz JWJMGJANZGXTKY-LSDHHAIUSA-N 1 0 243.435 3.709 10 0 BHAERO CC[NH2+][C@H](C)[C@H](CCOCCC(C)C)C(C)C ZINC000061687044 170158453 /nfs/dbraw/zinc/15/84/53/170158453.db2.gz JWJMGJANZGXTKY-HUUCEWRRSA-N 1 0 243.435 3.709 10 0 BHAERO CCOc1ccc2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687709 170571267 /nfs/dbraw/zinc/57/12/67/170571267.db2.gz UMACBAMLWUJHDY-UHFFFAOYSA-N 1 0 244.338 3.648 10 0 BHAERO CCc1ccc2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687718 171850515 /nfs/dbraw/zinc/85/05/15/171850515.db2.gz AMDHTHYBKGTENC-UHFFFAOYSA-N 1 0 228.339 3.811 10 0 BHAERO CCc1cccc2c(N)c(C(C)C)c(C)[nH+]c12 ZINC000061687722 171867592 /nfs/dbraw/zinc/86/75/92/171867592.db2.gz OATYQWOSZNAXCC-UHFFFAOYSA-N 1 0 228.339 3.811 10 0 BHAERO COc1ccc(C)c2c(N)c(C(C)C)c(C)[nH+]c12 ZINC000061687727 175070760 /nfs/dbraw/zinc/07/07/60/175070760.db2.gz FVVINVFUMFUCEG-UHFFFAOYSA-N 1 0 244.338 3.566 10 0 BHAERO C[C@@H]([NH3+])c1ccc(OC(C)(C)C)c(Cl)c1 ZINC000061699236 175817636 /nfs/dbraw/zinc/81/76/36/175817636.db2.gz GYAAXSZNEPLPNA-MRVPVSSYSA-N 1 0 227.735 3.537 10 0 BHAERO CC(C)Sc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061700269 345842449 /nfs/dbraw/zinc/84/24/49/345842449.db2.gz YXBOGJMBGFKUAO-MRVPVSSYSA-N 1 0 229.776 3.860 10 0 BHAERO CC(C)Sc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061700270 345842699 /nfs/dbraw/zinc/84/26/99/345842699.db2.gz YXBOGJMBGFKUAO-QMMMGPOBSA-N 1 0 229.776 3.860 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703521 345841687 /nfs/dbraw/zinc/84/16/87/345841687.db2.gz WBLNSYJZNXUXED-NSHDSACASA-N 1 0 247.260 3.631 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703522 345841625 /nfs/dbraw/zinc/84/16/25/345841625.db2.gz WBLNSYJZNXUXED-LLVKDONJSA-N 1 0 247.260 3.631 10 0 BHAERO CC1([NH2+]CCCOc2ccccc2)CCCCC1 ZINC000061815772 168062743 /nfs/dbraw/zinc/06/27/43/168062743.db2.gz UQZLJNHSBQAIOI-UHFFFAOYSA-N 1 0 247.382 3.768 10 0 BHAERO CC1CCC([NH3+])(CCCOc2ccccc2)CC1 ZINC000061816300 168160665 /nfs/dbraw/zinc/16/06/65/168160665.db2.gz OZTYUTZRAIXKLI-UHFFFAOYSA-N 1 0 247.382 3.753 10 0 BHAERO Cc1ccccc1NCC[NH+]1CCC(C)(C)CC1 ZINC000061823498 179304866 /nfs/dbraw/zinc/30/48/66/179304866.db2.gz LUHXRJBKUARXTC-UHFFFAOYSA-N 1 0 246.398 3.529 10 0 BHAERO Cc1cccc(NCC[NH+]2CCC(C)(C)CC2)c1 ZINC000061823535 179145547 /nfs/dbraw/zinc/14/55/47/179145547.db2.gz PEMLOJFDZXAUBJ-UHFFFAOYSA-N 1 0 246.398 3.529 10 0 BHAERO C[C@@H]1CCc2ccc(C(C)(C)C)cc2[C@H]([NH3+])C1 ZINC000061831835 176239251 /nfs/dbraw/zinc/23/92/51/176239251.db2.gz BRJJYHFKESMDMW-IAQYHMDHSA-N 1 0 231.383 3.956 10 0 BHAERO C[C@H]1CCc2ccc(C(C)(C)C)cc2[C@H]([NH3+])C1 ZINC000061831836 177209613 /nfs/dbraw/zinc/20/96/13/177209613.db2.gz BRJJYHFKESMDMW-XHDPSFHLSA-N 1 0 231.383 3.956 10 0 BHAERO C[C@@H]1CCc2ccc(C(C)(C)C)cc2[C@@H]([NH3+])C1 ZINC000061831837 176238994 /nfs/dbraw/zinc/23/89/94/176238994.db2.gz BRJJYHFKESMDMW-ABAIWWIYSA-N 1 0 231.383 3.956 10 0 BHAERO C[C@H]1CCc2ccc(C(C)(C)C)cc2[C@@H]([NH3+])C1 ZINC000061831838 177209493 /nfs/dbraw/zinc/20/94/93/177209493.db2.gz BRJJYHFKESMDMW-NHYWBVRUSA-N 1 0 231.383 3.956 10 0 BHAERO CC(C)CC[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838606 345957701 /nfs/dbraw/zinc/95/77/01/345957701.db2.gz SJSAQELTBFNZMY-JTQLQIEISA-N 1 0 231.261 3.540 10 0 BHAERO CC(C)CC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838607 345957290 /nfs/dbraw/zinc/95/72/90/345957290.db2.gz SJSAQELTBFNZMY-SNVBAGLBSA-N 1 0 231.261 3.540 10 0 BHAERO Cc1ccc(N(C)[C@@H](C[NH3+])CC(C)(C)C)c(C)c1 ZINC000061840035 178700416 /nfs/dbraw/zinc/70/04/16/178700416.db2.gz DMXYXQRJCLXMFT-CQSZACIVSA-N 1 0 248.414 3.503 10 0 BHAERO CCc1oc2ccccc2c1[C@H]([NH3+])c1ccoc1 ZINC000061876823 172112791 /nfs/dbraw/zinc/11/27/91/172112791.db2.gz SMQSHHZGXPDSLS-OAHLLOKOSA-N 1 0 241.290 3.636 10 0 BHAERO CCc1oc2ccccc2c1[C@@H]([NH3+])c1ccoc1 ZINC000061876824 172112966 /nfs/dbraw/zinc/11/29/66/172112966.db2.gz SMQSHHZGXPDSLS-HNNXBMFYSA-N 1 0 241.290 3.636 10 0 BHAERO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCCC1 ZINC000062050373 176722016 /nfs/dbraw/zinc/72/20/16/176722016.db2.gz IARQMENCHLYSBP-GFCCVEGCSA-N 1 0 235.346 3.537 10 0 BHAERO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CCCC1 ZINC000062050397 384758268 /nfs/dbraw/zinc/75/82/68/384758268.db2.gz QRLNNXDUQSOZPY-STQMWFEESA-N 1 0 249.373 3.925 10 0 BHAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CCCC1 ZINC000062050398 384760252 /nfs/dbraw/zinc/76/02/52/384760252.db2.gz QRLNNXDUQSOZPY-OLZOCXBDSA-N 1 0 249.373 3.925 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C1CCCC1 ZINC000062050400 384759826 /nfs/dbraw/zinc/75/98/26/384759826.db2.gz QRLNNXDUQSOZPY-QWHCGFSZSA-N 1 0 249.373 3.925 10 0 BHAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CCCC1 ZINC000062050402 322859488 /nfs/dbraw/zinc/85/94/88/322859488.db2.gz QRLNNXDUQSOZPY-CHWSQXEVSA-N 1 0 249.373 3.925 10 0 BHAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC(C)(C)C ZINC000062050555 175770657 /nfs/dbraw/zinc/77/06/57/175770657.db2.gz XPQCNNRSFUISKZ-LBPRGKRZSA-N 1 0 237.362 3.783 10 0 BHAERO Cc1ccc(C[NH2+]C(CC(C)C)CC(C)C)cn1 ZINC000062050689 178600978 /nfs/dbraw/zinc/60/09/78/178600978.db2.gz HSYNACVMIJUMKR-UHFFFAOYSA-N 1 0 248.414 3.940 10 0 BHAERO CC(C)CCCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000062097893 166825714 /nfs/dbraw/zinc/82/57/14/166825714.db2.gz RPURQUJWTIETIU-AWEZNQCLSA-N 1 0 248.414 3.897 10 0 BHAERO CCc1[nH+]c2cc(N)ccc2n1CCCC(C)C ZINC000062098515 172010977 /nfs/dbraw/zinc/01/09/77/172010977.db2.gz HISXPZIQPQFHNH-UHFFFAOYSA-N 1 0 245.370 3.617 10 0 BHAERO CC[NH2+][C@@H](CCc1ccco1)c1ccccc1 ZINC000062102319 170145620 /nfs/dbraw/zinc/14/56/20/170145620.db2.gz WAJKLLLQZSRYHV-HNNXBMFYSA-N 1 0 229.323 3.563 10 0 BHAERO CC[NH2+][C@H](CCc1ccco1)c1ccccc1 ZINC000062102320 170162371 /nfs/dbraw/zinc/16/23/71/170162371.db2.gz WAJKLLLQZSRYHV-OAHLLOKOSA-N 1 0 229.323 3.563 10 0 BHAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1Cc1ccco1 ZINC000062102469 170152905 /nfs/dbraw/zinc/15/29/05/170152905.db2.gz KZGGFWDKYUXTKC-VNHYZAJKSA-N 1 0 235.371 3.627 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1Cc1ccco1 ZINC000062102470 170154473 /nfs/dbraw/zinc/15/44/73/170154473.db2.gz KZGGFWDKYUXTKC-KCQAQPDRSA-N 1 0 235.371 3.627 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccco1 ZINC000062102523 170154294 /nfs/dbraw/zinc/15/42/94/170154294.db2.gz PKSRTWTXGHKLQC-SQWLQELKSA-N 1 0 249.398 3.873 10 0 BHAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccco1 ZINC000062102524 170169025 /nfs/dbraw/zinc/16/90/25/170169025.db2.gz PKSRTWTXGHKLQC-LZWOXQAQSA-N 1 0 249.398 3.873 10 0 BHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccco1 ZINC000062102525 170153009 /nfs/dbraw/zinc/15/30/09/170153009.db2.gz PKSRTWTXGHKLQC-IIAWOOMASA-N 1 0 249.398 3.873 10 0 BHAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccco1 ZINC000062102526 170169097 /nfs/dbraw/zinc/16/90/97/170169097.db2.gz PKSRTWTXGHKLQC-FMKPAKJESA-N 1 0 249.398 3.873 10 0 BHAERO CC(C)[NH2+]CC1(Cc2ccco2)CCCCC1 ZINC000062103075 167099077 /nfs/dbraw/zinc/09/90/77/167099077.db2.gz XNBLPLLPPVCWHA-UHFFFAOYSA-N 1 0 235.371 3.771 10 0 BHAERO CCC(CC)(C[NH2+]CC(C)C)Cc1ccco1 ZINC000062103120 168324949 /nfs/dbraw/zinc/32/49/49/168324949.db2.gz QQWZKYJXPYIRLX-UHFFFAOYSA-N 1 0 237.387 3.874 10 0 BHAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccoc1)C2 ZINC000062103422 168010941 /nfs/dbraw/zinc/01/09/41/168010941.db2.gz QCOUOOPKBYAIIC-GZBFAFLISA-N 1 0 233.355 3.584 10 0 BHAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]Cc1ccoc1)C2 ZINC000062103423 168003658 /nfs/dbraw/zinc/00/36/58/168003658.db2.gz QCOUOOPKBYAIIC-NFAWXSAZSA-N 1 0 233.355 3.584 10 0 BHAERO C[C@@H]([NH3+])CCc1cccc(Oc2ccccc2)c1 ZINC000062153498 175805662 /nfs/dbraw/zinc/80/56/62/175805662.db2.gz RIODQQPGYYWWMG-CYBMUJFWSA-N 1 0 241.334 3.759 10 0 BHAERO CC(C)Oc1ccccc1CC[C@H]([NH3+])C(C)(C)C ZINC000062164504 167310182 /nfs/dbraw/zinc/31/01/82/167310182.db2.gz NGHMEHPHKHYKKQ-HNNXBMFYSA-N 1 0 249.398 3.780 10 0 BHAERO CC(C)Oc1ccccc1CC[C@@H]([NH3+])C(C)(C)C ZINC000062164506 167310766 /nfs/dbraw/zinc/31/07/66/167310766.db2.gz NGHMEHPHKHYKKQ-OAHLLOKOSA-N 1 0 249.398 3.780 10 0 BHAERO CC(C)Oc1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000062164512 167292377 /nfs/dbraw/zinc/29/23/77/167292377.db2.gz VLKSMBZEVROQAW-HNNXBMFYSA-N 1 0 249.398 3.780 10 0 BHAERO CC(C)Oc1ccc(CC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000062164514 167292482 /nfs/dbraw/zinc/29/24/82/167292482.db2.gz VLKSMBZEVROQAW-OAHLLOKOSA-N 1 0 249.398 3.780 10 0 BHAERO CC(C)Oc1cccc(CC[C@H]([NH3+])C(C)(C)C)c1 ZINC000062164516 167305276 /nfs/dbraw/zinc/30/52/76/167305276.db2.gz MPFYWUCPPLDOCP-HNNXBMFYSA-N 1 0 249.398 3.780 10 0 BHAERO CC(C)Oc1cccc(CC[C@@H]([NH3+])C(C)(C)C)c1 ZINC000062164517 167304492 /nfs/dbraw/zinc/30/44/92/167304492.db2.gz MPFYWUCPPLDOCP-OAHLLOKOSA-N 1 0 249.398 3.780 10 0 BHAERO CCCOc1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000062164555 169318794 /nfs/dbraw/zinc/31/87/94/169318794.db2.gz FODPHMJFFHEZIF-HNNXBMFYSA-N 1 0 249.398 3.781 10 0 BHAERO CCCOc1ccc(CC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000062164557 169318373 /nfs/dbraw/zinc/31/83/73/169318373.db2.gz FODPHMJFFHEZIF-OAHLLOKOSA-N 1 0 249.398 3.781 10 0 BHAERO C[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)CC1 ZINC000062169246 168163706 /nfs/dbraw/zinc/16/37/06/168163706.db2.gz VNZHCRUZBCMBJH-BBBYJDLNSA-N 1 0 231.383 3.786 10 0 BHAERO C[C@H](Cc1ccccc1)[NH2+]C1CCC(C)CC1 ZINC000062169248 168165640 /nfs/dbraw/zinc/16/56/40/168165640.db2.gz VNZHCRUZBCMBJH-NPCAHTBFSA-N 1 0 231.383 3.786 10 0 BHAERO C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000062169304 175773757 /nfs/dbraw/zinc/77/37/57/175773757.db2.gz NQAJRMUEFBNFEX-DZKIICNBSA-N 1 0 231.383 3.786 10 0 BHAERO C[C@@H](Cc1ccccc1)[NH2+]C1CCCCCC1 ZINC000062169519 349460920 /nfs/dbraw/zinc/46/09/20/349460920.db2.gz PYCYNQHJBOCBTB-AWEZNQCLSA-N 1 0 231.383 3.930 10 0 BHAERO C[C@H](Cc1ccccc1)[NH2+]C1CCCCCC1 ZINC000062169520 349461061 /nfs/dbraw/zinc/46/10/61/349461061.db2.gz PYCYNQHJBOCBTB-CQSZACIVSA-N 1 0 231.383 3.930 10 0 BHAERO Cc1ccccc1C[NH2+][C@@H](C)Cc1ccccc1 ZINC000062172605 179282035 /nfs/dbraw/zinc/28/20/35/179282035.db2.gz RLNOVYJLIAFDDM-HNNXBMFYSA-N 1 0 239.362 3.716 10 0 BHAERO Cc1ccccc1C[NH2+][C@H](C)Cc1ccccc1 ZINC000062172608 179284259 /nfs/dbraw/zinc/28/42/59/179284259.db2.gz RLNOVYJLIAFDDM-OAHLLOKOSA-N 1 0 239.362 3.716 10 0 BHAERO CCC[NH2+]C[C@@]1(C[C@H](C)CCC)CCCOC1 ZINC000062194439 169263602 /nfs/dbraw/zinc/26/36/02/169263602.db2.gz OWXXBSHOKLCIOP-CABCVRRESA-N 1 0 241.419 3.609 10 0 BHAERO CCC[NH2+]C[C@@]1(C[C@@H](C)CCC)CCCOC1 ZINC000062194441 169263754 /nfs/dbraw/zinc/26/37/54/169263754.db2.gz OWXXBSHOKLCIOP-GJZGRUSLSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[NH2+]C[C@]1(C[C@H](C)CCC)CCCOC1 ZINC000062194443 169265047 /nfs/dbraw/zinc/26/50/47/169265047.db2.gz OWXXBSHOKLCIOP-HUUCEWRRSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[NH2+]C[C@]1(C[C@@H](C)CCC)CCCOC1 ZINC000062194444 169264471 /nfs/dbraw/zinc/26/44/71/169264471.db2.gz OWXXBSHOKLCIOP-LSDHHAIUSA-N 1 0 241.419 3.609 10 0 BHAERO CCC[C@@H](C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000062194778 169361987 /nfs/dbraw/zinc/36/19/87/169361987.db2.gz LJOUOWUKYSEEGK-CABCVRRESA-N 1 0 241.419 3.608 10 0 BHAERO CCC[C@@H](C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000062194782 169361715 /nfs/dbraw/zinc/36/17/15/169361715.db2.gz LJOUOWUKYSEEGK-HUUCEWRRSA-N 1 0 241.419 3.608 10 0 BHAERO CCCC[C@H]([NH2+]CC)c1ccc2c(c1)COC2 ZINC000062333399 169011826 /nfs/dbraw/zinc/01/18/26/169011826.db2.gz RVOZSBHHFTVSKG-HNNXBMFYSA-N 1 0 233.355 3.558 10 0 BHAERO CCC[NH2+][C@@H](CCC)c1ccc2c(c1)COC2 ZINC000062333944 169278086 /nfs/dbraw/zinc/27/80/86/169278086.db2.gz ZNRUALHAZMMCME-HNNXBMFYSA-N 1 0 233.355 3.558 10 0 BHAERO CCC[NH2+][C@H](CCC)c1ccc2c(c1)COC2 ZINC000062333945 169288994 /nfs/dbraw/zinc/28/89/94/169288994.db2.gz ZNRUALHAZMMCME-OAHLLOKOSA-N 1 0 233.355 3.558 10 0 BHAERO Cc1ccc([C@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000062564728 178918214 /nfs/dbraw/zinc/91/82/14/178918214.db2.gz PVEZJNCOLNZWGV-HUUCEWRRSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1ccccc1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000062608462 179327617 /nfs/dbraw/zinc/32/76/17/179327617.db2.gz BGXAJBZKGWGXEK-UKRRQHHQSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1ccccc1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000062608464 179346466 /nfs/dbraw/zinc/34/64/66/179346466.db2.gz BGXAJBZKGWGXEK-HIFRSBDPSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1ccccc1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000062608467 179328320 /nfs/dbraw/zinc/32/83/20/179328320.db2.gz BGXAJBZKGWGXEK-DZGCQCFKSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1ccccc1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000062608470 179346251 /nfs/dbraw/zinc/34/62/51/179346251.db2.gz BGXAJBZKGWGXEK-ZFWWWQNUSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000062608474 179189842 /nfs/dbraw/zinc/18/98/42/179189842.db2.gz QREBMVPJMAVDNR-CABCVRRESA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000062608477 179204170 /nfs/dbraw/zinc/20/41/70/179204170.db2.gz QREBMVPJMAVDNR-HUUCEWRRSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000062608480 179190139 /nfs/dbraw/zinc/19/01/39/179190139.db2.gz QREBMVPJMAVDNR-GJZGRUSLSA-N 1 0 217.356 3.618 10 0 BHAERO Cc1cccc([C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000062608484 179203179 /nfs/dbraw/zinc/20/31/79/179203179.db2.gz QREBMVPJMAVDNR-LSDHHAIUSA-N 1 0 217.356 3.618 10 0 BHAERO [NH3+]C[C@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000062611349 181460006 /nfs/dbraw/zinc/46/00/06/181460006.db2.gz WRQUUSHOASZBKE-YPMHNXCESA-N 1 0 223.747 3.573 10 0 BHAERO [NH3+]C[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000062611364 181458074 /nfs/dbraw/zinc/45/80/74/181458074.db2.gz AREKWQGQUHDWOE-DGCLKSJQSA-N 1 0 223.747 3.573 10 0 BHAERO [NH3+]C[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000062611368 181428066 /nfs/dbraw/zinc/42/80/66/181428066.db2.gz AREKWQGQUHDWOE-AAEUAGOBSA-N 1 0 223.747 3.573 10 0 BHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1ccccc1Cl ZINC000062618457 181426544 /nfs/dbraw/zinc/42/65/44/181426544.db2.gz HKSMLBULDARZMD-RYUDHWBXSA-N 1 0 237.774 3.963 10 0 BHAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000062618465 181426843 /nfs/dbraw/zinc/42/68/43/181426843.db2.gz FNMXYGPJXMDSDJ-JSGCOSHPSA-N 1 0 237.774 3.963 10 0 BHAERO [NH3+]C[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000062618470 181456640 /nfs/dbraw/zinc/45/66/40/181456640.db2.gz FNZOZRRHFHYQAB-OCCSQVGLSA-N 1 0 237.774 3.963 10 0 BHAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000062618474 181426841 /nfs/dbraw/zinc/42/68/41/181426841.db2.gz FNZOZRRHFHYQAB-JSGCOSHPSA-N 1 0 237.774 3.963 10 0 BHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000062618477 181426548 /nfs/dbraw/zinc/42/65/48/181426548.db2.gz FNZOZRRHFHYQAB-GXTWGEPZSA-N 1 0 237.774 3.963 10 0 BHAERO CC[NH2+][C@H](C1=CCCC1)c1cc(F)ccc1C ZINC000062665522 170160666 /nfs/dbraw/zinc/16/06/66/170160666.db2.gz STGAQXGFGSJFHU-OAHLLOKOSA-N 1 0 233.330 3.895 10 0 BHAERO CC[NH2+][C@@H](C1=CCCC1)c1cc(F)ccc1C ZINC000062665524 170142810 /nfs/dbraw/zinc/14/28/10/170142810.db2.gz STGAQXGFGSJFHU-HNNXBMFYSA-N 1 0 233.330 3.895 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000062708429 385183851 /nfs/dbraw/zinc/18/38/51/385183851.db2.gz SXNBPFGRSRIEEG-LBPRGKRZSA-N 1 0 245.288 3.628 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000062708431 343047767 /nfs/dbraw/zinc/04/77/67/343047767.db2.gz SXNBPFGRSRIEEG-GFCCVEGCSA-N 1 0 245.288 3.628 10 0 BHAERO CCCOc1c(C)cc(C[NH2+]C(C)(C)C)cc1C ZINC000062728492 169312898 /nfs/dbraw/zinc/31/28/98/169312898.db2.gz GLJOQUGQGKMINS-UHFFFAOYSA-N 1 0 249.398 3.980 10 0 BHAERO CC[C@@H](C)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728822 170712012 /nfs/dbraw/zinc/71/20/12/170712012.db2.gz OYRASYLNBRESQG-CYBMUJFWSA-N 1 0 249.398 4.000 10 0 BHAERO CC[C@H](C)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728823 171290837 /nfs/dbraw/zinc/29/08/37/171290837.db2.gz OYRASYLNBRESQG-ZDUSSCGKSA-N 1 0 249.398 4.000 10 0 BHAERO C/C=C/COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731330 187784526 /nfs/dbraw/zinc/78/45/26/187784526.db2.gz FTWOZJNAHZUZFE-AATRIKPKSA-N 1 0 233.355 3.530 10 0 BHAERO CCN(c1ccccc1C[NH2+]C(C)(C)C)C1CC1 ZINC000062735104 169943979 /nfs/dbraw/zinc/94/39/79/169943979.db2.gz SDSUDHFBQZSPPW-UHFFFAOYSA-N 1 0 246.398 3.563 10 0 BHAERO CCN(c1ccccc1C[NH2+]C(C)(C)C)C(C)C ZINC000062735170 169944122 /nfs/dbraw/zinc/94/41/22/169944122.db2.gz VRRQIYOPTXMJCM-UHFFFAOYSA-N 1 0 248.414 3.809 10 0 BHAERO CCCN(CC)c1ccccc1C[NH2+]CC(C)C ZINC000062735253 169133768 /nfs/dbraw/zinc/13/37/68/169133768.db2.gz ZURUETPBYUKRQW-UHFFFAOYSA-N 1 0 248.414 3.669 10 0 BHAERO C[C@@H]1CCCN1c1ccccc1C[NH2+]C(C)(C)C ZINC000062736518 176111253 /nfs/dbraw/zinc/11/12/53/176111253.db2.gz GMFFEFNGJWYNRG-CYBMUJFWSA-N 1 0 246.398 3.563 10 0 BHAERO C[C@H]1CCCN1c1ccccc1C[NH2+]C(C)(C)C ZINC000062736519 177111987 /nfs/dbraw/zinc/11/19/87/177111987.db2.gz GMFFEFNGJWYNRG-ZDUSSCGKSA-N 1 0 246.398 3.563 10 0 BHAERO C[C@H]([NH3+])c1ccc(F)cc1OCCC(C)(C)C ZINC000062745144 176776136 /nfs/dbraw/zinc/77/61/36/176776136.db2.gz LHDWDJCYKOSMFX-JTQLQIEISA-N 1 0 239.334 3.660 10 0 BHAERO CC[C@H](C)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746295 171291066 /nfs/dbraw/zinc/29/10/66/171291066.db2.gz HZSIMXWLDDFRDG-WDEREUQCSA-N 1 0 239.334 3.531 10 0 BHAERO CC[C@H](C)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746297 171291173 /nfs/dbraw/zinc/29/11/73/171291173.db2.gz HZSIMXWLDDFRDG-QWRGUYRKSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747040 170141834 /nfs/dbraw/zinc/14/18/34/170141834.db2.gz CIWCVZCEHFHAPC-NSHDSACASA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747041 170159458 /nfs/dbraw/zinc/15/94/58/170159458.db2.gz CIWCVZCEHFHAPC-LLVKDONJSA-N 1 0 239.334 3.531 10 0 BHAERO CC[NH2+][C@@H](C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000062770170 170140201 /nfs/dbraw/zinc/14/02/01/170140201.db2.gz WJRCYOBHTQWFTJ-ZDUSSCGKSA-N 1 0 243.350 3.796 10 0 BHAERO CC[NH2+][C@H](C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000062770171 170157584 /nfs/dbraw/zinc/15/75/84/170157584.db2.gz WJRCYOBHTQWFTJ-CYBMUJFWSA-N 1 0 243.350 3.796 10 0 BHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(C)c(F)c2)o1 ZINC000062770363 173416529 /nfs/dbraw/zinc/41/65/29/173416529.db2.gz QGJBONOYLMBMRL-NSHDSACASA-N 1 0 247.313 3.545 10 0 BHAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000062770385 173447197 /nfs/dbraw/zinc/44/71/97/173447197.db2.gz CJRUDJKXMFEDFY-SNVBAGLBSA-N 1 0 249.741 3.750 10 0 BHAERO Cc1c(Cl)cccc1-c1ccc(C[C@@H](C)[NH3+])o1 ZINC000062770402 177599982 /nfs/dbraw/zinc/59/99/82/177599982.db2.gz GRCWGILDFQEKKQ-SECBINFHSA-N 1 0 249.741 3.798 10 0 BHAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])o2)c(Cl)c1 ZINC000062770410 178323989 /nfs/dbraw/zinc/32/39/89/178323989.db2.gz VEHORPHVMUGTMV-SNVBAGLBSA-N 1 0 249.741 3.798 10 0 BHAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])o2)c(Cl)c1 ZINC000062770411 178324692 /nfs/dbraw/zinc/32/46/92/178324692.db2.gz VEHORPHVMUGTMV-JTQLQIEISA-N 1 0 249.741 3.798 10 0 BHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(C)c(C)c2)o1 ZINC000062770475 173415906 /nfs/dbraw/zinc/41/59/06/173415906.db2.gz UREHBLGJGZLPDS-ZDUSSCGKSA-N 1 0 243.350 3.714 10 0 BHAERO Cc1cc(Cl)ccc1-c1ccc(C[C@@H](C)[NH3+])o1 ZINC000062770807 178064983 /nfs/dbraw/zinc/06/49/83/178064983.db2.gz JQIKRZLYIPHFNZ-SNVBAGLBSA-N 1 0 249.741 3.798 10 0 BHAERO Cc1cc(Cl)ccc1-c1ccc(C[C@H](C)[NH3+])o1 ZINC000062770808 188303009 /nfs/dbraw/zinc/30/30/09/188303009.db2.gz JQIKRZLYIPHFNZ-JTQLQIEISA-N 1 0 249.741 3.798 10 0 BHAERO Cc1cccc([C@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000062773138 179200227 /nfs/dbraw/zinc/20/02/27/179200227.db2.gz ZRSVXTKSQNHCMD-INIZCTEOSA-N 1 0 239.362 3.973 10 0 BHAERO Cc1cccc([C@@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000062773139 179185444 /nfs/dbraw/zinc/18/54/44/179185444.db2.gz ZRSVXTKSQNHCMD-MRXNPFEDSA-N 1 0 239.362 3.973 10 0 BHAERO CC(C)CC[C@@H]([NH3+])C(C)(C)c1ccccc1 ZINC000062773179 166895077 /nfs/dbraw/zinc/89/50/77/166895077.db2.gz GZPLNOQAOFGKMG-CQSZACIVSA-N 1 0 219.372 3.728 10 0 BHAERO [NH3+][C@@H](CCCc1ccccc1)c1ccccc1F ZINC000062774671 181542298 /nfs/dbraw/zinc/54/22/98/181542298.db2.gz AVFDWWAPHSDVGD-INIZCTEOSA-N 1 0 243.325 3.848 10 0 BHAERO C[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccccc1F ZINC000062774710 173426565 /nfs/dbraw/zinc/42/65/65/173426565.db2.gz CGUYNHFXDPAKCX-INIZCTEOSA-N 1 0 243.325 3.751 10 0 BHAERO C[NH2+][C@H](c1ccc(F)cc1C)c1ccccc1F ZINC000062774729 173456932 /nfs/dbraw/zinc/45/69/32/173456932.db2.gz LQVLYLLAIXHUHF-OAHLLOKOSA-N 1 0 247.288 3.582 10 0 BHAERO CC(C)(C)CC[C@@H]([NH3+])C1(c2ccccc2)CC1 ZINC000062781206 166576491 /nfs/dbraw/zinc/57/64/91/166576491.db2.gz LSGHIFYSCUIORQ-CQSZACIVSA-N 1 0 231.383 3.872 10 0 BHAERO [NH3+][C@@H](C1CCCC1)C1(c2ccccc2)CCC1 ZINC000062781604 181537590 /nfs/dbraw/zinc/53/75/90/181537590.db2.gz JLOSDUFANDABBF-HNNXBMFYSA-N 1 0 229.367 3.626 10 0 BHAERO [NH3+][C@@H](c1cccs1)C1(c2ccccc2)CCC1 ZINC000062781642 181566397 /nfs/dbraw/zinc/56/63/97/181566397.db2.gz YRDKSJQJVPSERU-AWEZNQCLSA-N 1 0 243.375 3.870 10 0 BHAERO C[NH2+][C@@H](C(C)(C)C)C1(c2ccccc2)CCC1 ZINC000062781793 173411883 /nfs/dbraw/zinc/41/18/83/173411883.db2.gz FGWHGJIPFVCYDM-AWEZNQCLSA-N 1 0 231.383 3.742 10 0 BHAERO CCC[NH2+][C@@H](CC)C1(c2ccccc2)CCC1 ZINC000062781925 169278235 /nfs/dbraw/zinc/27/82/35/169278235.db2.gz XIJMBGWHZQGFAY-HNNXBMFYSA-N 1 0 231.383 3.887 10 0 BHAERO CCC[NH2+][C@H](CC)C1(c2ccccc2)CCC1 ZINC000062781926 169288297 /nfs/dbraw/zinc/28/82/97/169288297.db2.gz XIJMBGWHZQGFAY-OAHLLOKOSA-N 1 0 231.383 3.887 10 0 BHAERO CC(C)(C)[C@H]([NH3+])C1(c2ccccc2)CCCC1 ZINC000062782760 188303484 /nfs/dbraw/zinc/30/34/84/188303484.db2.gz YGWZCNMVQOUCCM-AWEZNQCLSA-N 1 0 231.383 3.872 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])C1(c2ccccc2)CCCC1 ZINC000062782761 166695121 /nfs/dbraw/zinc/69/51/21/166695121.db2.gz YGWZCNMVQOUCCM-CQSZACIVSA-N 1 0 231.383 3.872 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785871 346989888 /nfs/dbraw/zinc/98/98/88/346989888.db2.gz WMUJAJJBPCJDKO-NSHDSACASA-N 1 0 215.699 3.669 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785872 346989747 /nfs/dbraw/zinc/98/97/47/346989747.db2.gz WMUJAJJBPCJDKO-LLVKDONJSA-N 1 0 215.699 3.669 10 0 BHAERO CC(C)CC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785883 346990125 /nfs/dbraw/zinc/99/01/25/346990125.db2.gz BVGSPCKWEONBJM-LBPRGKRZSA-N 1 0 229.726 3.915 10 0 BHAERO CC(C)CC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785884 346990140 /nfs/dbraw/zinc/99/01/40/346990140.db2.gz BVGSPCKWEONBJM-GFCCVEGCSA-N 1 0 229.726 3.915 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785886 346990144 /nfs/dbraw/zinc/99/01/44/346990144.db2.gz VVJDYLSZPKCSME-NSHDSACASA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785887 346990151 /nfs/dbraw/zinc/99/01/51/346990151.db2.gz VVJDYLSZPKCSME-LLVKDONJSA-N 1 0 215.699 3.525 10 0 BHAERO C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1F ZINC000062786186 173451057 /nfs/dbraw/zinc/45/10/57/173451057.db2.gz MPTCKGXJRXISQJ-GFCCVEGCSA-N 1 0 229.726 3.786 10 0 BHAERO Cc1ccccc1Oc1cc(Cl)ccc1C[NH3+] ZINC000062787120 179314048 /nfs/dbraw/zinc/31/40/48/179314048.db2.gz IVWLYYUJYCOFRG-UHFFFAOYSA-N 1 0 247.725 3.899 10 0 BHAERO CCCC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792103 347048008 /nfs/dbraw/zinc/04/80/08/347048008.db2.gz FSTXYJWNMCABRQ-NSHDSACASA-N 1 0 215.699 3.669 10 0 BHAERO CCCC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792104 347048077 /nfs/dbraw/zinc/04/80/77/347048077.db2.gz FSTXYJWNMCABRQ-LLVKDONJSA-N 1 0 215.699 3.669 10 0 BHAERO CC(C)CC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792107 347047929 /nfs/dbraw/zinc/04/79/29/347047929.db2.gz SNJKGIVIIBEZRP-LBPRGKRZSA-N 1 0 229.726 3.915 10 0 BHAERO CC(C)CC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792108 347047860 /nfs/dbraw/zinc/04/78/60/347047860.db2.gz SNJKGIVIIBEZRP-GFCCVEGCSA-N 1 0 229.726 3.915 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792109 347047933 /nfs/dbraw/zinc/04/79/33/347047933.db2.gz RSUFVWUKXSJQRK-NSHDSACASA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792110 347047651 /nfs/dbraw/zinc/04/76/51/347047651.db2.gz RSUFVWUKXSJQRK-LLVKDONJSA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792183 347047759 /nfs/dbraw/zinc/04/77/59/347047759.db2.gz HLDQRQRKESFKEB-SNVBAGLBSA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792184 347047549 /nfs/dbraw/zinc/04/75/49/347047549.db2.gz HLDQRQRKESFKEB-JTQLQIEISA-N 1 0 215.699 3.525 10 0 BHAERO CCC[NH2+][C@@H](CC)c1ccc(F)c(Cl)c1 ZINC000062792695 169278489 /nfs/dbraw/zinc/27/84/89/169278489.db2.gz ULXVIPGKVZSIDT-LBPRGKRZSA-N 1 0 229.726 3.930 10 0 BHAERO CCC[NH2+][C@H](CC)c1ccc(F)c(Cl)c1 ZINC000062792696 169288573 /nfs/dbraw/zinc/28/85/73/169288573.db2.gz ULXVIPGKVZSIDT-GFCCVEGCSA-N 1 0 229.726 3.930 10 0 BHAERO Cc1ccccc1Oc1ccc(C[NH3+])cc1Cl ZINC000062793247 179313824 /nfs/dbraw/zinc/31/38/24/179313824.db2.gz FMVQVVYPKMHLNR-UHFFFAOYSA-N 1 0 247.725 3.899 10 0 BHAERO C[NH2+][C@H]1CCc2c1cccc2OCCC(C)(C)C ZINC000062798912 173468370 /nfs/dbraw/zinc/46/83/70/173468370.db2.gz VFWXCVKQCLBZLZ-AWEZNQCLSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H]1CCc2c1cccc2OCCC(C)C ZINC000062799432 170153461 /nfs/dbraw/zinc/15/34/61/170153461.db2.gz ROGLQTGWJIRVRO-OAHLLOKOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@H]1CCc2c1cccc2OCCC(C)C ZINC000062799433 170169015 /nfs/dbraw/zinc/16/90/15/170169015.db2.gz ROGLQTGWJIRVRO-HNNXBMFYSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H]1CCc2c1cccc2OCC=C(C)C ZINC000062799644 170153805 /nfs/dbraw/zinc/15/38/05/170153805.db2.gz QUKHEIQXZOLWEH-OAHLLOKOSA-N 1 0 245.366 3.628 10 0 BHAERO CC[NH2+][C@H]1CCc2c1cccc2OCC=C(C)C ZINC000062799645 170169062 /nfs/dbraw/zinc/16/90/62/170169062.db2.gz QUKHEIQXZOLWEH-HNNXBMFYSA-N 1 0 245.366 3.628 10 0 BHAERO C[NH2+][C@@H](CCC(C)C)c1ccc2ncccc2c1 ZINC000062802226 173422833 /nfs/dbraw/zinc/42/28/33/173422833.db2.gz KPKITKNRRCBNND-HNNXBMFYSA-N 1 0 242.366 3.932 10 0 BHAERO C[NH2+][C@H](CCC(C)C)c1ccc2ncccc2c1 ZINC000062802227 173452182 /nfs/dbraw/zinc/45/21/82/173452182.db2.gz KPKITKNRRCBNND-OAHLLOKOSA-N 1 0 242.366 3.932 10 0 BHAERO CC[C@H](C)C[C@H]([NH2+]C)c1ccc2ncccc2c1 ZINC000062802307 171299523 /nfs/dbraw/zinc/29/95/23/171299523.db2.gz IEZWEYUWJNVOCN-LRDDRELGSA-N 1 0 242.366 3.932 10 0 BHAERO CC[C@H](C)C[C@@H]([NH2+]C)c1ccc2ncccc2c1 ZINC000062802309 171296784 /nfs/dbraw/zinc/29/67/84/171296784.db2.gz IEZWEYUWJNVOCN-BLLLJJGKSA-N 1 0 242.366 3.932 10 0 BHAERO Cc1cccc([C@@H](C[NH3+])SCC2CCCC2)c1 ZINC000062835779 179185568 /nfs/dbraw/zinc/18/55/68/179185568.db2.gz AFWCBXWWPRSSKN-OAHLLOKOSA-N 1 0 249.423 3.918 10 0 BHAERO Cc1cccc([C@H](C[NH3+])SCC2CCCC2)c1 ZINC000062835780 179198477 /nfs/dbraw/zinc/19/84/77/179198477.db2.gz AFWCBXWWPRSSKN-HNNXBMFYSA-N 1 0 249.423 3.918 10 0 BHAERO CCC[NH2+]Cc1ccc(-c2ccc(C)nc2)cc1 ZINC000062948369 169267178 /nfs/dbraw/zinc/26/71/78/169267178.db2.gz GUKPZCIODNHCOZ-UHFFFAOYSA-N 1 0 240.350 3.557 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(C)nc1 ZINC000062948384 170142245 /nfs/dbraw/zinc/14/22/45/170142245.db2.gz MUTPVZWQEDJPMN-ZDUSSCGKSA-N 1 0 240.350 3.728 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(C)nc1 ZINC000062948385 170160028 /nfs/dbraw/zinc/16/00/28/170160028.db2.gz MUTPVZWQEDJPMN-CYBMUJFWSA-N 1 0 240.350 3.728 10 0 BHAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(C)nc1 ZINC000062949933 169279726 /nfs/dbraw/zinc/27/97/26/169279726.db2.gz RVIRAJXRYOXZRV-AWEZNQCLSA-N 1 0 246.379 3.541 10 0 BHAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(C)nc1 ZINC000062949934 169289904 /nfs/dbraw/zinc/28/99/04/169289904.db2.gz RVIRAJXRYOXZRV-CQSZACIVSA-N 1 0 246.379 3.541 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)nc1)C1CCCCC1 ZINC000062950039 170146977 /nfs/dbraw/zinc/14/69/77/170146977.db2.gz VHXOHHFMNBXURY-OAHLLOKOSA-N 1 0 232.371 3.621 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)nc1)C1CCCCC1 ZINC000062950040 170163176 /nfs/dbraw/zinc/16/31/76/170163176.db2.gz VHXOHHFMNBXURY-HNNXBMFYSA-N 1 0 232.371 3.621 10 0 BHAERO CCC1(C)CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000062954425 132388673 /nfs/dbraw/zinc/38/86/73/132388673.db2.gz YEKPUFZSHTYUEN-CYBMUJFWSA-N 1 0 246.398 3.723 10 0 BHAERO CC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000062986910 349863784 /nfs/dbraw/zinc/86/37/84/349863784.db2.gz JJHJGCVDLJSTBK-LURJTMIESA-N 1 0 231.126 3.641 10 0 BHAERO CC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000062986911 349863924 /nfs/dbraw/zinc/86/39/24/349863924.db2.gz JJHJGCVDLJSTBK-ZCFIWIBFSA-N 1 0 231.126 3.641 10 0 BHAERO CC(=[NH2+])Nc1ccccc1Cc1ccccc1 ZINC000062987015 187274375 /nfs/dbraw/zinc/27/43/75/187274375.db2.gz NCNZLMQDBJXVCF-UHFFFAOYSA-N 1 0 224.307 3.686 10 0 BHAERO CC(=[NH2+])N(Cc1ccccc1)Cc1ccccc1 ZINC000062987127 187784711 /nfs/dbraw/zinc/78/47/11/187784711.db2.gz FFNZVSMWWXEWBL-UHFFFAOYSA-N 1 0 238.334 3.686 10 0 BHAERO Cc1cc(NC(=[NH2+])c2ccccc2)ccc1F ZINC000062987804 178123701 /nfs/dbraw/zinc/12/37/01/178123701.db2.gz FGTPRQJLDNIYEL-UHFFFAOYSA-N 1 0 228.270 3.572 10 0 BHAERO [NH2+]=C(N[C@@H]1CCCc2sccc21)C1CCCC1 ZINC000062987847 181200445 /nfs/dbraw/zinc/20/04/45/181200445.db2.gz XFHVTOMJTSLQAX-GFCCVEGCSA-N 1 0 248.395 3.883 10 0 BHAERO [NH2+]=C(N[C@H]1CCCc2sccc21)C1CCCC1 ZINC000062987848 181200213 /nfs/dbraw/zinc/20/02/13/181200213.db2.gz XFHVTOMJTSLQAX-LBPRGKRZSA-N 1 0 248.395 3.883 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(F)cc1Cl ZINC000062988029 343746925 /nfs/dbraw/zinc/74/69/25/343746925.db2.gz ZYFJHLAYSQVODB-UHFFFAOYSA-N 1 0 214.671 3.668 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000062988103 349868684 /nfs/dbraw/zinc/86/86/84/349868684.db2.gz AHESEXXJRKKDFU-UHFFFAOYSA-N 1 0 214.671 3.668 10 0 BHAERO CC(C)C(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000062988104 349869007 /nfs/dbraw/zinc/86/90/07/349869007.db2.gz OBCWEOZXACOQFG-UHFFFAOYSA-N 1 0 214.671 3.524 10 0 BHAERO CCCC(=[NH2+])Nc1cccc(SC)c1 ZINC000062988330 349869088 /nfs/dbraw/zinc/86/90/88/349869088.db2.gz ZGWOJKBPRDWQGZ-UHFFFAOYSA-N 1 0 208.330 3.598 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(C)c(Cl)c1 ZINC000062988338 349869174 /nfs/dbraw/zinc/86/91/74/349869174.db2.gz RKMUSKMOYDYTIY-UHFFFAOYSA-N 1 0 210.708 3.838 10 0 BHAERO Cc1ccc(NC(=[NH2+])C(C)C)cc1Cl ZINC000062988339 349868717 /nfs/dbraw/zinc/86/87/17/349868717.db2.gz GHGHEJCGJPHHBE-UHFFFAOYSA-N 1 0 210.708 3.694 10 0 BHAERO C[C@H](NC(=[NH2+])C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000062988361 176784259 /nfs/dbraw/zinc/78/42/59/176784259.db2.gz IBZFFDHLXOMMAC-HXTFMFRQSA-N 1 0 246.398 3.568 10 0 BHAERO CCC(=[NH2+])Nc1ccc(C)cc1Br ZINC000062988363 349869172 /nfs/dbraw/zinc/86/91/72/349869172.db2.gz WEIQQEQESBCESA-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO COc1ccccc1NC(=[NH2+])C1CCCCC1 ZINC000062988385 187785045 /nfs/dbraw/zinc/78/50/45/187785045.db2.gz YNEZIPPUYBQANZ-UHFFFAOYSA-N 1 0 232.327 3.665 10 0 BHAERO CCCC(=[NH2+])Nc1cccc(Cl)c1C ZINC000062988541 349863839 /nfs/dbraw/zinc/86/38/39/349863839.db2.gz OJIYBKCEPRXTQE-UHFFFAOYSA-N 1 0 210.708 3.838 10 0 BHAERO Cc1c(Cl)cccc1NC(=[NH2+])C(C)C ZINC000062988542 349863810 /nfs/dbraw/zinc/86/38/10/349863810.db2.gz LVTZDYYNILTHJE-UHFFFAOYSA-N 1 0 210.708 3.694 10 0 BHAERO CCC(=[NH2+])Nc1ccc(Br)cc1C ZINC000062988556 349864581 /nfs/dbraw/zinc/86/45/81/349864581.db2.gz YVEMULQVBSPNEI-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(SC)cc1 ZINC000062988624 349864753 /nfs/dbraw/zinc/86/47/53/349864753.db2.gz VAOTVCRIWDNXFU-UHFFFAOYSA-N 1 0 208.330 3.598 10 0 BHAERO CCC(=[NH2+])Nc1ccc(Br)c(C)c1 ZINC000062988724 349864475 /nfs/dbraw/zinc/86/44/75/349864475.db2.gz JRSLULFHGLQCRO-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO CC(C)C(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000062988883 187273947 /nfs/dbraw/zinc/27/39/47/187273947.db2.gz QQTFILIAOJSNOD-UHFFFAOYSA-N 1 0 246.232 3.630 10 0 BHAERO CCC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000062988897 349867531 /nfs/dbraw/zinc/86/75/31/349867531.db2.gz ZVSYQHAHYGEQBI-UHFFFAOYSA-N 1 0 217.099 3.793 10 0 BHAERO [NH2+]=C(Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000062988899 349867499 /nfs/dbraw/zinc/86/74/99/349867499.db2.gz YOHDOEKSIRKPLU-UHFFFAOYSA-N 1 0 229.110 3.793 10 0 BHAERO [NH2+]=C(Nc1cccc(Cl)c1)c1ccccc1 ZINC000062989084 349503510 /nfs/dbraw/zinc/50/35/10/349503510.db2.gz IPOBOPQGTRIGMR-UHFFFAOYSA-N 1 0 230.698 3.777 10 0 BHAERO CC(C)(C)C(=[NH2+])Nc1ccc(Cl)cc1 ZINC000062989096 350101371 /nfs/dbraw/zinc/10/13/71/350101371.db2.gz RAJAMZCPNXMSQM-UHFFFAOYSA-N 1 0 210.708 3.775 10 0 BHAERO CCCC(=[NH2+])Nc1ccccc1Br ZINC000062989100 350101147 /nfs/dbraw/zinc/10/11/47/350101147.db2.gz BRLAFFNRGGFOIN-UHFFFAOYSA-N 1 0 241.132 3.638 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(Br)cc1 ZINC000062989108 350101405 /nfs/dbraw/zinc/10/14/05/350101405.db2.gz VSBYNYQUZZQBGC-UHFFFAOYSA-N 1 0 241.132 3.638 10 0 BHAERO CC(C)(C)C(=[NH2+])Nc1ccccc1Cl ZINC000062989133 350101542 /nfs/dbraw/zinc/10/15/42/350101542.db2.gz HWEVVILHOBJDAU-UHFFFAOYSA-N 1 0 210.708 3.775 10 0 BHAERO CCc1ccc(NC(=[NH2+])c2ccccc2)cc1 ZINC000062989246 188304036 /nfs/dbraw/zinc/30/40/36/188304036.db2.gz WANROKKMLIIJQN-UHFFFAOYSA-N 1 0 224.307 3.686 10 0 BHAERO Cc1cc(F)ccc1NC(=[NH2+])c1ccccc1 ZINC000062989294 178088797 /nfs/dbraw/zinc/08/87/97/178088797.db2.gz LINPBAZADPMXJF-UHFFFAOYSA-N 1 0 228.270 3.572 10 0 BHAERO CCCC(=[NH2+])Nc1cc(Cl)ccc1C ZINC000062989430 350099990 /nfs/dbraw/zinc/09/99/90/350099990.db2.gz IRLKRHQJNMQAKM-UHFFFAOYSA-N 1 0 210.708 3.838 10 0 BHAERO Cc1ccc(Cl)cc1NC(=[NH2+])C(C)C ZINC000062989431 350099875 /nfs/dbraw/zinc/09/98/75/350099875.db2.gz VYNJHGSRLXORBP-UHFFFAOYSA-N 1 0 210.708 3.694 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(C)cc1Cl ZINC000062989477 350100119 /nfs/dbraw/zinc/10/01/19/350100119.db2.gz MQMBZIDTJVUUQL-UHFFFAOYSA-N 1 0 210.708 3.838 10 0 BHAERO Cc1ccc(NC(=[NH2+])C(C)C)c(Cl)c1 ZINC000062989478 350100211 /nfs/dbraw/zinc/10/02/11/350100211.db2.gz CQDAUXOTOVNFNL-UHFFFAOYSA-N 1 0 210.708 3.694 10 0 BHAERO [NH2+]=C(C1CCCCC1)N1CCCc2ccccc21 ZINC000062989567 132388342 /nfs/dbraw/zinc/38/83/42/132388342.db2.gz RKEULTVIWIXWIB-UHFFFAOYSA-N 1 0 242.366 3.997 10 0 BHAERO Cc1ccc2c(c1)CCCN2C(=[NH2+])C(C)(C)C ZINC000062989894 132388340 /nfs/dbraw/zinc/38/83/40/132388340.db2.gz DLPORIYKQOJRJY-UHFFFAOYSA-N 1 0 230.355 3.771 10 0 BHAERO CCC(=[NH2+])NC(c1ccccc1)c1ccccc1 ZINC000062990001 168197458 /nfs/dbraw/zinc/19/74/58/168197458.db2.gz VLMLFPJYBFCBHK-UHFFFAOYSA-N 1 0 238.334 3.753 10 0 BHAERO [NH2+]=C(NCCc1cccc(F)c1)C1CCCCC1 ZINC000062990610 181199014 /nfs/dbraw/zinc/19/90/14/181199014.db2.gz GGTHZHBLVRZYMZ-UHFFFAOYSA-N 1 0 248.345 3.515 10 0 BHAERO CN(C(=[NH2+])c1ccccc1)C1CCCCCC1 ZINC000062990839 172291497 /nfs/dbraw/zinc/29/14/97/172291497.db2.gz PWNAPMZAHFEGJE-UHFFFAOYSA-N 1 0 230.355 3.667 10 0 BHAERO [NH2+]=C(C1CCCC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062990858 181185429 /nfs/dbraw/zinc/18/54/29/181185429.db2.gz BFVVIOIENGBZBQ-GXTWGEPZSA-N 1 0 234.387 3.666 10 0 BHAERO [NH2+]=C(C1CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000062990859 181185521 /nfs/dbraw/zinc/18/55/21/181185521.db2.gz BFVVIOIENGBZBQ-JSGCOSHPSA-N 1 0 234.387 3.666 10 0 BHAERO CCC(=[NH2+])Nc1cc(Br)ccc1C ZINC000062990934 350100562 /nfs/dbraw/zinc/10/05/62/350100562.db2.gz FMQLWDVKZXHPBQ-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO Cc1ccccc1CNC(=[NH2+])C1CCCCC1 ZINC000062991002 179275745 /nfs/dbraw/zinc/27/57/45/179275745.db2.gz WUCIEDPVWZRBOH-UHFFFAOYSA-N 1 0 230.355 3.642 10 0 BHAERO [NH2+]=C(NCCC1CCCCC1)c1ccccc1 ZINC000062991039 181198781 /nfs/dbraw/zinc/19/87/81/181198781.db2.gz ADMRVKPIMGDZAZ-UHFFFAOYSA-N 1 0 230.355 3.572 10 0 BHAERO CC[C@H](C)Oc1cccc(NC(=[NH2+])C2CC2)c1 ZINC000062991087 171356095 /nfs/dbraw/zinc/35/60/95/171356095.db2.gz ZLBVHSKVVJWGSZ-JTQLQIEISA-N 1 0 232.327 3.663 10 0 BHAERO CC(C)C(=[NH2+])NCc1cccc2ccccc21 ZINC000062991376 187274279 /nfs/dbraw/zinc/27/42/79/187274279.db2.gz YPAZFPNJMYTUBY-UHFFFAOYSA-N 1 0 226.323 3.563 10 0 BHAERO [NH2+]=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000062991460 181199670 /nfs/dbraw/zinc/19/96/70/181199670.db2.gz MIJGAGJHOZPDPT-UHFFFAOYSA-N 1 0 246.207 3.644 10 0 BHAERO C[C@@H]1CCC[C@H](N(C)C(=[NH2+])c2ccccc2)C1 ZINC000062991874 176139276 /nfs/dbraw/zinc/13/92/76/176139276.db2.gz PKCACMFDNPBKOY-OCCSQVGLSA-N 1 0 230.355 3.522 10 0 BHAERO C[C@H]1CCC[C@H](N(C)C(=[NH2+])c2ccccc2)C1 ZINC000062991875 177133896 /nfs/dbraw/zinc/13/38/96/177133896.db2.gz PKCACMFDNPBKOY-JSGCOSHPSA-N 1 0 230.355 3.522 10 0 BHAERO CC(C)C(=[NH2+])N[C@@H](C)c1ccc(Cl)s1 ZINC000062991912 350112617 /nfs/dbraw/zinc/11/26/17/350112617.db2.gz NBROXODLZBLVGA-ZETCQYMHSA-N 1 0 230.764 3.685 10 0 BHAERO CC(C)C(=[NH2+])N[C@H](C)c1ccc(Cl)s1 ZINC000062991913 350112822 /nfs/dbraw/zinc/11/28/22/350112822.db2.gz NBROXODLZBLVGA-SSDOTTSWSA-N 1 0 230.764 3.685 10 0 BHAERO C[C@H](NC(=[NH2+])c1ccccc1)c1ccc(F)cc1 ZINC000062992064 176784075 /nfs/dbraw/zinc/78/40/75/176784075.db2.gz IJURPEGHXMFBJN-NSHDSACASA-N 1 0 242.297 3.502 10 0 BHAERO C[C@@H](NC(=[NH2+])c1ccccc1)c1ccc(F)cc1 ZINC000062992065 175822798 /nfs/dbraw/zinc/82/27/98/175822798.db2.gz IJURPEGHXMFBJN-LLVKDONJSA-N 1 0 242.297 3.502 10 0 BHAERO CCc1ccc(N(C)C(=[NH2+])C2CCCC2)cc1 ZINC000062992445 171815424 /nfs/dbraw/zinc/81/54/24/171815424.db2.gz PHSLHGOQGVRJSW-UHFFFAOYSA-N 1 0 230.355 3.853 10 0 BHAERO Cc1ccc(N(C)C(=[NH2+])C2CCCC2)c(C)c1 ZINC000062992683 178694504 /nfs/dbraw/zinc/69/45/04/178694504.db2.gz KTFWFCGQICMBCB-UHFFFAOYSA-N 1 0 230.355 3.907 10 0 BHAERO C[C@H](NC(=[NH2+])C1CCCC1)c1cccc(F)c1 ZINC000062992912 176784479 /nfs/dbraw/zinc/78/44/79/176784479.db2.gz ACZQHXRSFGXCDQ-JTQLQIEISA-N 1 0 234.318 3.644 10 0 BHAERO C[C@@H](NC(=[NH2+])C1CCCC1)c1cccc(F)c1 ZINC000062992913 175822980 /nfs/dbraw/zinc/82/29/80/175822980.db2.gz ACZQHXRSFGXCDQ-SNVBAGLBSA-N 1 0 234.318 3.644 10 0 BHAERO C[C@@H]1CCCC[C@@H]1N(C)C(=[NH2+])c1ccccc1 ZINC000062993004 176077593 /nfs/dbraw/zinc/07/75/93/176077593.db2.gz SMPYUTSZIRIPEA-OCCSQVGLSA-N 1 0 230.355 3.522 10 0 BHAERO C[C@H]1CCCC[C@@H]1N(C)C(=[NH2+])c1ccccc1 ZINC000062993005 177080970 /nfs/dbraw/zinc/08/09/70/177080970.db2.gz SMPYUTSZIRIPEA-JSGCOSHPSA-N 1 0 230.355 3.522 10 0 BHAERO Cc1cc([C@@H](C)NC(=[NH2+])C2CCCC2)c(C)o1 ZINC000062993056 178220610 /nfs/dbraw/zinc/22/06/10/178220610.db2.gz HFIGDKUQEJHVMJ-SNVBAGLBSA-N 1 0 234.343 3.715 10 0 BHAERO Cc1cc([C@H](C)NC(=[NH2+])C2CCCC2)c(C)o1 ZINC000062993057 178244623 /nfs/dbraw/zinc/24/46/23/178244623.db2.gz HFIGDKUQEJHVMJ-JTQLQIEISA-N 1 0 234.343 3.715 10 0 BHAERO Cc1ccccc1[C@@H](C)NC(=[NH2+])C1CCCC1 ZINC000062993191 179317161 /nfs/dbraw/zinc/31/71/61/179317161.db2.gz GRVZCOMDZWKLQN-GFCCVEGCSA-N 1 0 230.355 3.813 10 0 BHAERO Cc1ccccc1[C@H](C)NC(=[NH2+])C1CCCC1 ZINC000062993192 179336516 /nfs/dbraw/zinc/33/65/16/179336516.db2.gz GRVZCOMDZWKLQN-LBPRGKRZSA-N 1 0 230.355 3.813 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(Cl)c(F)c1 ZINC000062993286 350112526 /nfs/dbraw/zinc/11/25/26/350112526.db2.gz LOVULQQABFPGGU-UHFFFAOYSA-N 1 0 214.671 3.668 10 0 BHAERO CC(C)C(=[NH2+])Nc1ccc(Cl)c(F)c1 ZINC000062993287 350112844 /nfs/dbraw/zinc/11/28/44/350112844.db2.gz ARUNPHOLEXHHOI-UHFFFAOYSA-N 1 0 214.671 3.524 10 0 BHAERO [NH2+]=C(C1CCCC1)N(Cc1cccs1)C1CC1 ZINC000062993746 181185663 /nfs/dbraw/zinc/18/56/63/181185663.db2.gz BAHMGTDVQHMACP-UHFFFAOYSA-N 1 0 248.395 3.880 10 0 BHAERO CCCC(=[NH2+])Nc1ccc(Cl)cc1F ZINC000062993820 350111921 /nfs/dbraw/zinc/11/19/21/350111921.db2.gz IPJBLSMTZFYVEO-UHFFFAOYSA-N 1 0 214.671 3.668 10 0 BHAERO CC(C)C(=[NH2+])Nc1ccc(Cl)cc1F ZINC000062993821 350111942 /nfs/dbraw/zinc/11/19/42/350111942.db2.gz YPVJSSLQUSQZPE-UHFFFAOYSA-N 1 0 214.671 3.524 10 0 BHAERO CCNC(=[NH2+])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000062994563 170041784 /nfs/dbraw/zinc/04/17/84/170041784.db2.gz KZJQKNJHKDDQCM-UHFFFAOYSA-N 1 0 246.398 3.730 10 0 BHAERO CCC(CC)(C(=[NH2+])NCC(C)C)c1ccccc1 ZINC000062995006 168311905 /nfs/dbraw/zinc/31/19/05/168311905.db2.gz GMHMBNGXCXJXCS-UHFFFAOYSA-N 1 0 246.398 3.967 10 0 BHAERO CCC[C@@H](C)NC1=[NH+][C@H](c2ccccc2)CS1 ZINC000063001203 169369483 /nfs/dbraw/zinc/36/94/83/169369483.db2.gz QVGDCCDXKJDBON-YPMHNXCESA-N 1 0 248.395 3.609 10 0 BHAERO CCC[C@@H](C)NC1=[NH+][C@@H](c2ccccc2)CS1 ZINC000063001205 169369709 /nfs/dbraw/zinc/36/97/09/169369709.db2.gz QVGDCCDXKJDBON-DGCLKSJQSA-N 1 0 248.395 3.609 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@@]1(c1ccccc1)C(C)C ZINC000063020020 169263619 /nfs/dbraw/zinc/26/36/19/169263619.db2.gz DLJACHKHHNFVPM-HOTGVXAUSA-N 1 0 231.383 3.600 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@@]1(c1ccccc1)C(C)C ZINC000063020021 169264955 /nfs/dbraw/zinc/26/49/55/169264955.db2.gz DLJACHKHHNFVPM-CVEARBPZSA-N 1 0 231.383 3.600 10 0 BHAERO CCC[NH2+]C[C@@H]1C[C@]1(c1ccccc1)C(C)C ZINC000063020022 169263460 /nfs/dbraw/zinc/26/34/60/169263460.db2.gz DLJACHKHHNFVPM-JKSUJKDBSA-N 1 0 231.383 3.600 10 0 BHAERO CCC[NH2+]C[C@H]1C[C@]1(c1ccccc1)C(C)C ZINC000063020023 169264977 /nfs/dbraw/zinc/26/49/77/169264977.db2.gz DLJACHKHHNFVPM-HZPDHXFCSA-N 1 0 231.383 3.600 10 0 BHAERO CCC[C@@H](Cc1ccnc2ccccc12)[NH2+]CC ZINC000063029464 169386494 /nfs/dbraw/zinc/38/64/94/169386494.db2.gz JRIPKUAKMZRLMO-AWEZNQCLSA-N 1 0 242.366 3.556 10 0 BHAERO CCC[NH2+][C@@H](CC)Cc1ccnc2ccccc12 ZINC000063031040 169277872 /nfs/dbraw/zinc/27/78/72/169277872.db2.gz MHCPQCVRHJKRHF-AWEZNQCLSA-N 1 0 242.366 3.556 10 0 BHAERO CCC[NH2+][C@H](CC)Cc1ccnc2ccccc12 ZINC000063031041 169288604 /nfs/dbraw/zinc/28/86/04/169288604.db2.gz MHCPQCVRHJKRHF-CQSZACIVSA-N 1 0 242.366 3.556 10 0 BHAERO CCC[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C ZINC000063031936 169386659 /nfs/dbraw/zinc/38/66/59/169386659.db2.gz MOWGMOXWYPIEHT-NSHDSACASA-N 1 0 245.288 3.636 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000063032938 170140159 /nfs/dbraw/zinc/14/01/59/170140159.db2.gz KVBSRORXJSCRRL-ZJUUUORDSA-N 1 0 245.288 3.807 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000063032939 170158491 /nfs/dbraw/zinc/15/84/91/170158491.db2.gz KVBSRORXJSCRRL-NXEZZACHSA-N 1 0 245.288 3.807 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000063032940 170140773 /nfs/dbraw/zinc/14/07/73/170140773.db2.gz KVBSRORXJSCRRL-UWVGGRQHSA-N 1 0 245.288 3.807 10 0 BHAERO CC[NH2+][C@H](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000063032941 170158698 /nfs/dbraw/zinc/15/86/98/170158698.db2.gz KVBSRORXJSCRRL-VHSXEESVSA-N 1 0 245.288 3.807 10 0 BHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(F)c(C)c1 ZINC000063055989 170147039 /nfs/dbraw/zinc/14/70/39/170147039.db2.gz URLMZRVRBPYZGW-HNNXBMFYSA-N 1 0 247.313 3.734 10 0 BHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)c(C)c1 ZINC000063055990 170164046 /nfs/dbraw/zinc/16/40/46/170164046.db2.gz URLMZRVRBPYZGW-OAHLLOKOSA-N 1 0 247.313 3.734 10 0 BHAERO CC[NH2+][C@@H](C)c1ccccc1N1CCCC1(C)C ZINC000063067487 170141856 /nfs/dbraw/zinc/14/18/56/170141856.db2.gz PSEOPVIUOUZMKV-ZDUSSCGKSA-N 1 0 246.398 3.736 10 0 BHAERO CC[NH2+][C@H](C)c1ccccc1N1CCCC1(C)C ZINC000063067488 170160350 /nfs/dbraw/zinc/16/03/50/170160350.db2.gz PSEOPVIUOUZMKV-CYBMUJFWSA-N 1 0 246.398 3.736 10 0 BHAERO CCC[NH2+]Cc1ccccc1N1CCCC1(C)C ZINC000063071825 169268180 /nfs/dbraw/zinc/26/81/80/169268180.db2.gz AAUBYGNZUHNLNK-UHFFFAOYSA-N 1 0 246.398 3.565 10 0 BHAERO CC(C)CC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075907 351072426 /nfs/dbraw/zinc/07/24/26/351072426.db2.gz USYYIKUWKHLYOU-ZDUSSCGKSA-N 1 0 228.339 3.671 10 0 BHAERO CC(C)CC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075908 351072442 /nfs/dbraw/zinc/07/24/42/351072442.db2.gz USYYIKUWKHLYOU-CYBMUJFWSA-N 1 0 228.339 3.671 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075911 351072741 /nfs/dbraw/zinc/07/27/41/351072741.db2.gz UWAKNVNVUKUFMV-ZDUSSCGKSA-N 1 0 228.339 3.815 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075912 351072680 /nfs/dbraw/zinc/07/26/80/351072680.db2.gz UWAKNVNVUKUFMV-CYBMUJFWSA-N 1 0 228.339 3.815 10 0 BHAERO [NH3+][C@@H](c1ccc2ccccc2n1)C1CCCCC1 ZINC000063075927 385789112 /nfs/dbraw/zinc/78/91/12/385789112.db2.gz FIAMEWMUEAVIQE-MRXNPFEDSA-N 1 0 240.350 3.815 10 0 BHAERO [NH3+][C@H](c1ccc2ccccc2n1)C1CCCCC1 ZINC000063075928 385790287 /nfs/dbraw/zinc/79/02/87/385790287.db2.gz FIAMEWMUEAVIQE-INIZCTEOSA-N 1 0 240.350 3.815 10 0 BHAERO CCCC[C@H]([NH2+]C)c1ccc2ccccc2n1 ZINC000063076151 169012328 /nfs/dbraw/zinc/01/23/28/169012328.db2.gz MZXFCJMWGVYLLQ-AWEZNQCLSA-N 1 0 228.339 3.686 10 0 BHAERO C[NH2+][C@@H](c1ccc2ccccc2n1)C1CCCC1 ZINC000063076177 173428852 /nfs/dbraw/zinc/42/88/52/173428852.db2.gz YSPZWAWPXMCBBK-MRXNPFEDSA-N 1 0 240.350 3.686 10 0 BHAERO CC[NH2+][C@@H](CC(C)C)c1ccc2ccccc2n1 ZINC000063076311 170144001 /nfs/dbraw/zinc/14/40/01/170144001.db2.gz PHFJGHJHFQJKFX-INIZCTEOSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@H](CC(C)C)c1ccc2ccccc2n1 ZINC000063076312 170160818 /nfs/dbraw/zinc/16/08/18/170160818.db2.gz PHFJGHJHFQJKFX-MRXNPFEDSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@@H](c1ccc2ccccc2n1)C(C)(C)C ZINC000063076335 170148469 /nfs/dbraw/zinc/14/84/69/170148469.db2.gz USHIOHRHCMWFCP-HNNXBMFYSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@H](c1ccc2ccccc2n1)C(C)(C)C ZINC000063076336 170164193 /nfs/dbraw/zinc/16/41/93/170164193.db2.gz USHIOHRHCMWFCP-OAHLLOKOSA-N 1 0 242.366 3.932 10 0 BHAERO CCC[NH2+][C@@H](CC)c1ccc2ccccc2n1 ZINC000063076417 169278052 /nfs/dbraw/zinc/27/80/52/169278052.db2.gz BMXVPADYXKOEIE-ZDUSSCGKSA-N 1 0 228.339 3.686 10 0 BHAERO CCC[NH2+][C@H](CC)c1ccc2ccccc2n1 ZINC000063076418 169288342 /nfs/dbraw/zinc/28/83/42/169288342.db2.gz BMXVPADYXKOEIE-CYBMUJFWSA-N 1 0 228.339 3.686 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CC(C)(C)C1 ZINC000063099139 323098991 /nfs/dbraw/zinc/09/89/91/323098991.db2.gz FKQWAOAZJXRHFW-ZJUUUORDSA-N 1 0 237.309 3.743 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CC(C)(C)C1 ZINC000063099140 323098971 /nfs/dbraw/zinc/09/89/71/323098971.db2.gz FKQWAOAZJXRHFW-UWVGGRQHSA-N 1 0 237.309 3.743 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC(C)(C)C1 ZINC000063099141 323099041 /nfs/dbraw/zinc/09/90/41/323099041.db2.gz FKQWAOAZJXRHFW-NXEZZACHSA-N 1 0 237.309 3.743 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC(C)(C)C1 ZINC000063099142 323099073 /nfs/dbraw/zinc/09/90/73/323099073.db2.gz FKQWAOAZJXRHFW-VHSXEESVSA-N 1 0 237.309 3.743 10 0 BHAERO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccc(O)cc1 ZINC000063144401 168156142 /nfs/dbraw/zinc/15/61/42/168156142.db2.gz IXTOXYVNZJPTJX-MOKVOYLWSA-N 1 0 247.382 3.869 10 0 BHAERO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccc(O)cc1 ZINC000063144403 168157211 /nfs/dbraw/zinc/15/72/11/168157211.db2.gz IXTOXYVNZJPTJX-ROKHWSDSSA-N 1 0 247.382 3.869 10 0 BHAERO COC(C)(C)C[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063144525 386564290 /nfs/dbraw/zinc/56/42/90/386564290.db2.gz BLNSEKLLBDXGDH-MOKVOYLWSA-N 1 0 241.419 3.606 10 0 BHAERO COC(C)(C)C[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063144527 386564010 /nfs/dbraw/zinc/56/40/10/386564010.db2.gz BLNSEKLLBDXGDH-ROKHWSDSSA-N 1 0 241.419 3.606 10 0 BHAERO CC1CCC(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000063144628 168155150 /nfs/dbraw/zinc/15/51/50/168155150.db2.gz BSBQFYPXDCSFKD-UHFFFAOYSA-N 1 0 243.394 3.570 10 0 BHAERO Cc1cc(C[NH2+]CC2CCC(C)CC2)c(C)n1C ZINC000063144892 178019881 /nfs/dbraw/zinc/01/98/81/178019881.db2.gz UFLWHSSHEIQYOK-UHFFFAOYSA-N 1 0 248.414 3.558 10 0 BHAERO C[C@@H](Cc1ccco1)[NH2+]CC1CCC(C)CC1 ZINC000063144908 641137950 /nfs/dbraw/zinc/13/79/50/641137950.db2.gz PJSMCRZYPFOIOF-MOKVOYLWSA-N 1 0 235.371 3.627 10 0 BHAERO C[C@H](Cc1ccco1)[NH2+]CC1CCC(C)CC1 ZINC000063144909 641139016 /nfs/dbraw/zinc/13/90/16/641139016.db2.gz PJSMCRZYPFOIOF-ROKHWSDSSA-N 1 0 235.371 3.627 10 0 BHAERO CC1CCC(Cn2ccc3c2CCC[C@@H]3[NH3+])CC1 ZINC000063146724 168157226 /nfs/dbraw/zinc/15/72/26/168157226.db2.gz JNJZTDPMDXZIRY-PIMMBPRGSA-N 1 0 246.398 3.651 10 0 BHAERO CC1CCC(Cn2ccc3c2CCC[C@H]3[NH3+])CC1 ZINC000063146726 168156215 /nfs/dbraw/zinc/15/62/15/168156215.db2.gz JNJZTDPMDXZIRY-SSDMNJCBSA-N 1 0 246.398 3.651 10 0 BHAERO CCC[C@H]([NH2+]CC)[C@@H]1CCCc2ccccc21 ZINC000063158153 169510326 /nfs/dbraw/zinc/51/03/26/169510326.db2.gz XEKZUZCOFSHSSC-CVEARBPZSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[C@@H]([NH2+]CC)[C@@H]1CCCc2ccccc21 ZINC000063158154 169399613 /nfs/dbraw/zinc/39/96/13/169399613.db2.gz XEKZUZCOFSHSSC-HZPDHXFCSA-N 1 0 231.383 3.885 10 0 BHAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCCc2ccccc21 ZINC000063158181 170156175 /nfs/dbraw/zinc/15/61/75/170156175.db2.gz SOSOLUIFCOUWTO-HZPDHXFCSA-N 1 0 231.383 3.741 10 0 BHAERO CC[NH2+][C@@H](C(C)C)[C@@H]1CCCc2ccccc21 ZINC000063158182 170138233 /nfs/dbraw/zinc/13/82/33/170138233.db2.gz SOSOLUIFCOUWTO-CVEARBPZSA-N 1 0 231.383 3.741 10 0 BHAERO CC[NH2+][C@H](C(C)C)[C@H]1CCCc2ccccc21 ZINC000063158183 170155873 /nfs/dbraw/zinc/15/58/73/170155873.db2.gz SOSOLUIFCOUWTO-JKSUJKDBSA-N 1 0 231.383 3.741 10 0 BHAERO CC[NH2+][C@@H](C(C)C)[C@H]1CCCc2ccccc21 ZINC000063158184 170138156 /nfs/dbraw/zinc/13/81/56/170138156.db2.gz SOSOLUIFCOUWTO-HOTGVXAUSA-N 1 0 231.383 3.741 10 0 BHAERO CC[C@H](C)[NH2+]CCCc1ccccc1Cl ZINC000066170198 171340316 /nfs/dbraw/zinc/34/03/16/171340316.db2.gz MIAKGLQJBHYMEE-NSHDSACASA-N 1 0 225.763 3.661 10 0 BHAERO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000068590773 169191960 /nfs/dbraw/zinc/19/19/60/169191960.db2.gz OKINFUVQNJJUGV-GFCCVEGCSA-N 1 0 238.762 3.672 10 0 BHAERO CCC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000068590777 169191455 /nfs/dbraw/zinc/19/14/55/169191455.db2.gz OKINFUVQNJJUGV-LBPRGKRZSA-N 1 0 238.762 3.672 10 0 BHAERO CSCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000068998174 385240640 /nfs/dbraw/zinc/24/06/40/385240640.db2.gz TZPMVYRLFNAHGZ-NEPJUHHUSA-N 1 0 229.433 3.544 10 0 BHAERO CSCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000068998175 385240512 /nfs/dbraw/zinc/24/05/12/385240512.db2.gz TZPMVYRLFNAHGZ-RYUDHWBXSA-N 1 0 229.433 3.544 10 0 BHAERO CSCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000068998178 385239850 /nfs/dbraw/zinc/23/98/50/385239850.db2.gz TZPMVYRLFNAHGZ-VXGBXAGGSA-N 1 0 229.433 3.544 10 0 BHAERO CSCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000068998181 385241020 /nfs/dbraw/zinc/24/10/20/385241020.db2.gz TZPMVYRLFNAHGZ-NWDGAFQWSA-N 1 0 229.433 3.544 10 0 BHAERO C/C(=C/CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000069050485 351347341 /nfs/dbraw/zinc/34/73/41/351347341.db2.gz VMUUUALTGTVHKS-BAQGIRSFSA-N 1 0 230.138 3.746 10 0 BHAERO C[C@@H]([NH2+]C1CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000069051395 175859357 /nfs/dbraw/zinc/85/93/57/175859357.db2.gz SGYOMBWETUDOON-UWJCENJNSA-N 1 0 233.399 3.733 10 0 BHAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000069636186 384055617 /nfs/dbraw/zinc/05/56/17/384055617.db2.gz VCONCCQKTJRFKE-WDEREUQCSA-N 1 0 211.374 3.752 10 0 BHAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000069636189 179554994 /nfs/dbraw/zinc/55/49/94/179554994.db2.gz VCONCCQKTJRFKE-QWRGUYRKSA-N 1 0 211.374 3.752 10 0 BHAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000069636191 179551571 /nfs/dbraw/zinc/55/15/71/179551571.db2.gz VCONCCQKTJRFKE-GHMZBOCLSA-N 1 0 211.374 3.752 10 0 BHAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000069636192 179554289 /nfs/dbraw/zinc/55/42/89/179554289.db2.gz VCONCCQKTJRFKE-MNOVXSKESA-N 1 0 211.374 3.752 10 0 BHAERO CC(C)[C@@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000069685835 342808096 /nfs/dbraw/zinc/80/80/96/342808096.db2.gz PGLDEUBFHALXOY-SKDRFNHKSA-N 1 0 211.736 3.632 10 0 BHAERO CC(C)[C@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000069685838 373594050 /nfs/dbraw/zinc/59/40/50/373594050.db2.gz PGLDEUBFHALXOY-CABZTGNLSA-N 1 0 211.736 3.632 10 0 BHAERO CC(C)[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000069685841 373594285 /nfs/dbraw/zinc/59/42/85/373594285.db2.gz PGLDEUBFHALXOY-BXKDBHETSA-N 1 0 211.736 3.632 10 0 BHAERO CC(C)[C@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000069685845 342808092 /nfs/dbraw/zinc/80/80/92/342808092.db2.gz PGLDEUBFHALXOY-JOYOIKCWSA-N 1 0 211.736 3.632 10 0 BHAERO CC(C)[C@@H](C)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000069686035 373593934 /nfs/dbraw/zinc/59/39/34/373593934.db2.gz ARRPJDPNOZNXOG-XCBNKYQSSA-N 1 0 217.765 3.693 10 0 BHAERO CC(C)[C@H](C)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000069686039 373594461 /nfs/dbraw/zinc/59/44/61/373594461.db2.gz ARRPJDPNOZNXOG-XVKPBYJWSA-N 1 0 217.765 3.693 10 0 BHAERO CC(C)[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000069686041 373594491 /nfs/dbraw/zinc/59/44/91/373594491.db2.gz ARRPJDPNOZNXOG-GMSGAONNSA-N 1 0 217.765 3.693 10 0 BHAERO CC(C)[C@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000069686043 373594557 /nfs/dbraw/zinc/59/45/57/373594557.db2.gz ARRPJDPNOZNXOG-OIBJUYFYSA-N 1 0 217.765 3.693 10 0 BHAERO CC1CCC(C[NH2+]CCc2ccsc2)CC1 ZINC000069768913 134902847 /nfs/dbraw/zinc/90/28/47/134902847.db2.gz PBTKTOBSUKTACW-UHFFFAOYSA-N 1 0 237.412 3.707 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](C)C2CCCC2)s1 ZINC000069803892 370988599 /nfs/dbraw/zinc/98/85/99/370988599.db2.gz AUMMPODWGDWLDK-NSHDSACASA-N 1 0 237.412 3.979 10 0 BHAERO CCc1ccc(C[NH2+][C@H](C)C2CCCC2)s1 ZINC000069803895 370988517 /nfs/dbraw/zinc/98/85/17/370988517.db2.gz AUMMPODWGDWLDK-LLVKDONJSA-N 1 0 237.412 3.979 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C1CCCC1 ZINC000069804036 388867550 /nfs/dbraw/zinc/86/75/50/388867550.db2.gz HXOZRGNEOWKUIJ-RYUDHWBXSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C1CCCC1 ZINC000069804039 324979670 /nfs/dbraw/zinc/97/96/70/324979670.db2.gz HXOZRGNEOWKUIJ-TXEJJXNPSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C1CCCC1 ZINC000069804041 324979601 /nfs/dbraw/zinc/97/96/01/324979601.db2.gz HXOZRGNEOWKUIJ-VXGBXAGGSA-N 1 0 209.377 3.733 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](C)C2CCCC2)o1 ZINC000069804222 388866993 /nfs/dbraw/zinc/86/69/93/388866993.db2.gz KNHFTVNCNVGKTB-NSHDSACASA-N 1 0 221.344 3.510 10 0 BHAERO CCc1ccc(C[NH2+][C@H](C)C2CCCC2)o1 ZINC000069804227 324979351 /nfs/dbraw/zinc/97/93/51/324979351.db2.gz KNHFTVNCNVGKTB-LLVKDONJSA-N 1 0 221.344 3.510 10 0 BHAERO Cc1cc([C@H]([NH3+])C(C)C)c(C)cc1Cl ZINC000070023572 374112401 /nfs/dbraw/zinc/11/24/01/374112401.db2.gz CONSAFTYJJAFGC-GFCCVEGCSA-N 1 0 211.736 3.613 10 0 BHAERO Cc1cc([C@@H]([NH3+])C(C)C)c(C)cc1Cl ZINC000070023574 374112270 /nfs/dbraw/zinc/11/22/70/374112270.db2.gz CONSAFTYJJAFGC-LBPRGKRZSA-N 1 0 211.736 3.613 10 0 BHAERO Cc1c[nH+]ccc1N[C@@H](C)c1cccs1 ZINC000070047053 134908144 /nfs/dbraw/zinc/90/81/44/134908144.db2.gz ILNIOIGALRHFTD-JTQLQIEISA-N 1 0 218.325 3.625 10 0 BHAERO Cc1c[nH+]ccc1N[C@H](C)c1cccs1 ZINC000070047055 343297038 /nfs/dbraw/zinc/29/70/38/343297038.db2.gz ILNIOIGALRHFTD-SNVBAGLBSA-N 1 0 218.325 3.625 10 0 BHAERO CC1CC(C[NH3+])(c2ccc(Cl)cc2Cl)C1 ZINC000070068630 168138959 /nfs/dbraw/zinc/13/89/59/168138959.db2.gz FUVGMBJXZBGQPO-UHFFFAOYSA-N 1 0 244.165 3.620 10 0 BHAERO CC1CC(C[NH3+])(c2ccc(Cl)c(Cl)c2)C1 ZINC000070068639 168138538 /nfs/dbraw/zinc/13/85/38/168138538.db2.gz TVZKRSBGBDVYDV-UHFFFAOYSA-N 1 0 244.165 3.620 10 0 BHAERO CC1CC([NH3+])(c2c(Cl)cccc2Cl)C1 ZINC000070068654 361397993 /nfs/dbraw/zinc/39/79/93/361397993.db2.gz GWLKJYKSIPPNRR-UHFFFAOYSA-N 1 0 230.138 3.577 10 0 BHAERO CC1CC([NH3+])(c2ccc(Cl)c(Cl)c2)C1 ZINC000070068676 361397547 /nfs/dbraw/zinc/39/75/47/361397547.db2.gz ZQBNGSFREFXRKW-UHFFFAOYSA-N 1 0 230.138 3.577 10 0 BHAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000070100497 134908690 /nfs/dbraw/zinc/90/86/90/134908690.db2.gz IWHZTLBSGRCIQX-BLLLJJGKSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000070100498 359040956 /nfs/dbraw/zinc/04/09/56/359040956.db2.gz IWHZTLBSGRCIQX-MLGOLLRUSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCCc2ccccc21 ZINC000070100499 134908981 /nfs/dbraw/zinc/90/89/81/134908981.db2.gz IWHZTLBSGRCIQX-LRDDRELGSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@H](CC1CC1)[NH2+][C@H]1CCCc2ccccc21 ZINC000070100500 359041464 /nfs/dbraw/zinc/04/14/64/359041464.db2.gz IWHZTLBSGRCIQX-WBMJQRKESA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000070101090 324994435 /nfs/dbraw/zinc/99/44/35/324994435.db2.gz KJZZGMYWLRBWFA-UWVGGRQHSA-N 1 0 239.309 3.804 10 0 BHAERO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000070101091 388876655 /nfs/dbraw/zinc/87/66/55/388876655.db2.gz KJZZGMYWLRBWFA-ZJUUUORDSA-N 1 0 239.309 3.804 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(F)c(F)c1 ZINC000070101092 324994389 /nfs/dbraw/zinc/99/43/89/324994389.db2.gz KJZZGMYWLRBWFA-VHSXEESVSA-N 1 0 239.309 3.804 10 0 BHAERO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000070101093 388875730 /nfs/dbraw/zinc/87/57/30/388875730.db2.gz KJZZGMYWLRBWFA-NXEZZACHSA-N 1 0 239.309 3.804 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070101292 323167143 /nfs/dbraw/zinc/16/71/43/323167143.db2.gz MBQZBMKTPVWCPN-QWHCGFSZSA-N 1 0 247.382 3.843 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070101293 323167065 /nfs/dbraw/zinc/16/70/65/323167065.db2.gz MBQZBMKTPVWCPN-STQMWFEESA-N 1 0 247.382 3.843 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070101294 323167177 /nfs/dbraw/zinc/16/71/77/323167177.db2.gz MBQZBMKTPVWCPN-CHWSQXEVSA-N 1 0 247.382 3.843 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070101295 323167102 /nfs/dbraw/zinc/16/71/02/323167102.db2.gz MBQZBMKTPVWCPN-OLZOCXBDSA-N 1 0 247.382 3.843 10 0 BHAERO Cc1cccc(C[NH2+]CC2CCCCC2)c1C ZINC000070136834 179090070 /nfs/dbraw/zinc/09/00/70/179090070.db2.gz IWOGTMJTCNNUDE-UHFFFAOYSA-N 1 0 231.383 3.973 10 0 BHAERO Cc1ccc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000070136898 178475113 /nfs/dbraw/zinc/47/51/13/178475113.db2.gz PXRHWPFQDRZQMT-HOCLYGCPSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1ccccc1C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000070137510 179280725 /nfs/dbraw/zinc/28/07/25/179280725.db2.gz DVMKCSXNXADMRO-MZBDJJRSSA-N 1 0 231.383 3.909 10 0 BHAERO Cc1ccccc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000070137511 179281228 /nfs/dbraw/zinc/28/12/28/179281228.db2.gz DVMKCSXNXADMRO-KBPBESRZSA-N 1 0 231.383 3.909 10 0 BHAERO Cc1ccccc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000070137512 179281405 /nfs/dbraw/zinc/28/14/05/179281405.db2.gz DVMKCSXNXADMRO-ZIAGYGMSSA-N 1 0 231.383 3.909 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)C1CCCCC1 ZINC000070144148 171543155 /nfs/dbraw/zinc/54/31/55/171543155.db2.gz ZAUTVKSHBJHZPA-FXUDXRNXSA-N 1 0 233.399 3.900 10 0 BHAERO CC(C)C[NH2+]CCCc1ccc(OC(C)C)cc1 ZINC000070214497 167004548 /nfs/dbraw/zinc/00/45/48/167004548.db2.gz RNDITSCLVXKZPV-UHFFFAOYSA-N 1 0 249.398 3.652 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1C ZINC000070305164 325003691 /nfs/dbraw/zinc/00/36/91/325003691.db2.gz DNHTVCVTSDNBJD-AWEZNQCLSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1C ZINC000070305165 325004102 /nfs/dbraw/zinc/00/41/02/325004102.db2.gz DNHTVCVTSDNBJD-CQSZACIVSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1F ZINC000070305348 323185072 /nfs/dbraw/zinc/18/50/72/323185072.db2.gz GBIJCJGQKHXPLP-LBPRGKRZSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1F ZINC000070305349 323185016 /nfs/dbraw/zinc/18/50/16/323185016.db2.gz GBIJCJGQKHXPLP-GFCCVEGCSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1ccc(C)c(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305615 323185395 /nfs/dbraw/zinc/18/53/95/323185395.db2.gz QWVPOGWDMSJWPT-AWEZNQCLSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1ccc(C)c(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305616 323185377 /nfs/dbraw/zinc/18/53/77/323185377.db2.gz QWVPOGWDMSJWPT-CQSZACIVSA-N 1 0 231.383 3.972 10 0 BHAERO COc1ccc(C)cc1C[NH2+][C@@H](C)C1CCCC1 ZINC000070305751 325004044 /nfs/dbraw/zinc/00/40/44/325004044.db2.gz IWNPHZKZAPTJIO-ZDUSSCGKSA-N 1 0 247.382 3.672 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000070305825 323185843 /nfs/dbraw/zinc/18/58/43/323185843.db2.gz BGAQDAODPJIUJJ-ZDUSSCGKSA-N 1 0 231.383 3.917 10 0 BHAERO CCc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000070305826 323185868 /nfs/dbraw/zinc/18/58/68/323185868.db2.gz BGAQDAODPJIUJJ-CYBMUJFWSA-N 1 0 231.383 3.917 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)C2CCCC2)cc(C)c1O ZINC000070305855 323185857 /nfs/dbraw/zinc/18/58/57/323185857.db2.gz UQZAXHHITOOFHH-ZDUSSCGKSA-N 1 0 247.382 3.677 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)C2CCCC2)cc(C)c1O ZINC000070305856 323185773 /nfs/dbraw/zinc/18/57/73/323185773.db2.gz UQZAXHHITOOFHH-CYBMUJFWSA-N 1 0 247.382 3.677 10 0 BHAERO Cc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1C ZINC000070306071 325004040 /nfs/dbraw/zinc/00/40/40/325004040.db2.gz CCZSFCAKXZZISE-AWEZNQCLSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C[NH2+][C@H](C)C2CCCC2)c1C ZINC000070306072 325004055 /nfs/dbraw/zinc/00/40/55/325004055.db2.gz CCZSFCAKXZZISE-CQSZACIVSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1ccccc1[C@@H](C)Nc1cc[nH+]cc1C ZINC000070489611 359057582 /nfs/dbraw/zinc/05/75/82/359057582.db2.gz ASTWUHRPKGVQHR-CYBMUJFWSA-N 1 0 226.323 3.872 10 0 BHAERO Cc1ccccc1[C@H](C)Nc1cc[nH+]cc1C ZINC000070489612 134919745 /nfs/dbraw/zinc/91/97/45/134919745.db2.gz ASTWUHRPKGVQHR-ZDUSSCGKSA-N 1 0 226.323 3.872 10 0 BHAERO Cc1c[nH+]ccc1N[C@@H]1CCCc2ccccc21 ZINC000070489656 359057352 /nfs/dbraw/zinc/05/73/52/359057352.db2.gz PZVCTAVMCXKBCX-MRXNPFEDSA-N 1 0 238.334 3.880 10 0 BHAERO Cc1c[nH+]ccc1N[C@H]1CCCc2ccccc21 ZINC000070489657 134919850 /nfs/dbraw/zinc/91/98/50/134919850.db2.gz PZVCTAVMCXKBCX-INIZCTEOSA-N 1 0 238.334 3.880 10 0 BHAERO CC1CC(C[NH3+])(c2ccc(C(C)(C)C)cc2)C1 ZINC000070527860 168139499 /nfs/dbraw/zinc/13/94/99/168139499.db2.gz AITLOVYJZADKGK-UHFFFAOYSA-N 1 0 231.383 3.611 10 0 BHAERO CCCC(CCC)[NH2+][C@@H]1COc2ccccc21 ZINC000070528390 325014305 /nfs/dbraw/zinc/01/43/05/325014305.db2.gz SPKMKPROTHPPKK-CQSZACIVSA-N 1 0 233.355 3.679 10 0 BHAERO CCCC(CCC)[NH2+][C@H]1COc2ccccc21 ZINC000070528391 323196563 /nfs/dbraw/zinc/19/65/63/323196563.db2.gz SPKMKPROTHPPKK-AWEZNQCLSA-N 1 0 233.355 3.679 10 0 BHAERO c1ccc2c(c1)OC[C@H]2[NH2+]C1CCCCCCC1 ZINC000070528538 643034347 /nfs/dbraw/zinc/03/43/47/643034347.db2.gz LQCBVCMXWBERRV-OAHLLOKOSA-N 1 0 245.366 3.823 10 0 BHAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000070528539 643034835 /nfs/dbraw/zinc/03/48/35/643034835.db2.gz LQCBVCMXWBERRV-HNNXBMFYSA-N 1 0 245.366 3.823 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070528765 325014399 /nfs/dbraw/zinc/01/43/99/325014399.db2.gz AIQWMFRCYOQMAT-TZMCWYRMSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)CC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070528766 325014250 /nfs/dbraw/zinc/01/42/50/325014250.db2.gz AIQWMFRCYOQMAT-GXTWGEPZSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070528767 325014265 /nfs/dbraw/zinc/01/42/65/325014265.db2.gz AIQWMFRCYOQMAT-OCCSQVGLSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)CC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070528768 325014424 /nfs/dbraw/zinc/01/44/24/325014424.db2.gz AIQWMFRCYOQMAT-JSGCOSHPSA-N 1 0 233.355 3.534 10 0 BHAERO CCC1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000070529013 325015167 /nfs/dbraw/zinc/01/51/67/325015167.db2.gz SNSXSLFABYIWCS-SSDMNJCBSA-N 1 0 245.366 3.679 10 0 BHAERO CCC1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000070529014 325015022 /nfs/dbraw/zinc/01/50/22/325015022.db2.gz SNSXSLFABYIWCS-PIMMBPRGSA-N 1 0 245.366 3.679 10 0 BHAERO CCCCC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070529067 643035239 /nfs/dbraw/zinc/03/52/39/643035239.db2.gz FGVMISPPGQUUHY-TZMCWYRMSA-N 1 0 233.355 3.679 10 0 BHAERO CCCCC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070529068 643033960 /nfs/dbraw/zinc/03/39/60/643033960.db2.gz FGVMISPPGQUUHY-GXTWGEPZSA-N 1 0 233.355 3.679 10 0 BHAERO CCCCC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070529069 643034609 /nfs/dbraw/zinc/03/46/09/643034609.db2.gz FGVMISPPGQUUHY-OCCSQVGLSA-N 1 0 233.355 3.679 10 0 BHAERO CCCCC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070529070 643034705 /nfs/dbraw/zinc/03/47/05/643034705.db2.gz FGVMISPPGQUUHY-JSGCOSHPSA-N 1 0 233.355 3.679 10 0 BHAERO CC1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC000070532211 537870179 /nfs/dbraw/zinc/87/01/79/537870179.db2.gz ACQYFVDEYJLQMU-UHFFFAOYSA-N 1 0 223.404 3.983 10 0 BHAERO CC[C@@H](C)C[NH2+]CCC1CCC(C)CC1 ZINC000070532224 537870096 /nfs/dbraw/zinc/87/00/96/537870096.db2.gz GTHXZZAVKMLZMT-IYXRBSQSSA-N 1 0 211.393 3.839 10 0 BHAERO CC[C@H](C)C[NH2+]CCC1CCC(C)CC1 ZINC000070532225 537869915 /nfs/dbraw/zinc/86/99/15/537869915.db2.gz GTHXZZAVKMLZMT-HSBZDZAISA-N 1 0 211.393 3.839 10 0 BHAERO CC(C)CC[NH2+]CCC1CCC(C)CC1 ZINC000070532240 537869959 /nfs/dbraw/zinc/86/99/59/537869959.db2.gz VVWHXLUIODVMJW-UHFFFAOYSA-N 1 0 211.393 3.839 10 0 BHAERO CC1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC000070538365 643445408 /nfs/dbraw/zinc/44/54/08/643445408.db2.gz PDRJJENQJZJHJD-UHFFFAOYSA-N 1 0 231.383 3.993 10 0 BHAERO Cc1ccc(C[NH2+]CCC2CCC(C)CC2)o1 ZINC000070538432 643445538 /nfs/dbraw/zinc/44/55/38/643445538.db2.gz IDPMDXQBTLSFIK-UHFFFAOYSA-N 1 0 235.371 3.894 10 0 BHAERO CC1CCC(CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000070538586 643446303 /nfs/dbraw/zinc/44/63/03/643446303.db2.gz RAPTWSGTIIIUIL-UHFFFAOYSA-N 1 0 247.382 3.698 10 0 BHAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2ccsc2)C1 ZINC000070566568 361561334 /nfs/dbraw/zinc/56/13/34/361561334.db2.gz NHZHFJXDJJMFEF-SCVCMEIPSA-N 1 0 209.358 3.574 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2ccsc2)C1 ZINC000070566570 361561144 /nfs/dbraw/zinc/56/11/44/361561144.db2.gz NHZHFJXDJJMFEF-FOGDFJRCSA-N 1 0 209.358 3.574 10 0 BHAERO CCCC[C@H]([NH3+])c1cc(Br)cs1 ZINC000070599018 361583378 /nfs/dbraw/zinc/58/33/78/361583378.db2.gz RCETZGQPJHLQCP-QMMMGPOBSA-N 1 0 248.189 3.701 10 0 BHAERO CCCC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070599019 361582938 /nfs/dbraw/zinc/58/29/38/361582938.db2.gz RCETZGQPJHLQCP-MRVPVSSYSA-N 1 0 248.189 3.701 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1cc(Br)cs1 ZINC000070599106 343953073 /nfs/dbraw/zinc/95/30/73/343953073.db2.gz SYCYDIOMVIPMNV-MRVPVSSYSA-N 1 0 248.189 3.557 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070599107 361582651 /nfs/dbraw/zinc/58/26/51/361582651.db2.gz SYCYDIOMVIPMNV-QMMMGPOBSA-N 1 0 248.189 3.557 10 0 BHAERO CC(C)(C)C(=[NH2+])NCc1ccc(Cl)s1 ZINC000070600947 361585660 /nfs/dbraw/zinc/58/56/60/361585660.db2.gz NJGPBVLKYGHCHR-UHFFFAOYSA-N 1 0 230.764 3.514 10 0 BHAERO [NH3+]Cc1cc(-c2ccccc2Cl)cs1 ZINC000070601100 343952676 /nfs/dbraw/zinc/95/26/76/343952676.db2.gz NTILEJHBWGVANV-UHFFFAOYSA-N 1 0 223.728 3.527 10 0 BHAERO CC(C)Sc1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000070603024 361589828 /nfs/dbraw/zinc/58/98/28/361589828.db2.gz SSDAMPCFHGSEQV-QMMMGPOBSA-N 1 0 229.776 3.860 10 0 BHAERO [NH3+][C@H](CC1CC1)c1cccc2ccccc21 ZINC000070679846 361711834 /nfs/dbraw/zinc/71/18/34/361711834.db2.gz ZDMLASQYPNIAJI-OAHLLOKOSA-N 1 0 211.308 3.640 10 0 BHAERO [NH3+][C@@H](CC1CC1)c1cccc2ccccc21 ZINC000070679849 361711535 /nfs/dbraw/zinc/71/15/35/361711535.db2.gz ZDMLASQYPNIAJI-HNNXBMFYSA-N 1 0 211.308 3.640 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(C)c2ccccc21 ZINC000070679864 388439413 /nfs/dbraw/zinc/43/94/13/388439413.db2.gz XHWQINNPTPXWKI-HNNXBMFYSA-N 1 0 213.324 3.948 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(C)c2ccccc21 ZINC000070679865 169394068 /nfs/dbraw/zinc/39/40/68/169394068.db2.gz XHWQINNPTPXWKI-OAHLLOKOSA-N 1 0 213.324 3.948 10 0 BHAERO CC1(C)CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000070682558 361720386 /nfs/dbraw/zinc/72/03/86/361720386.db2.gz QOVLMUYKKKGXIK-CQSZACIVSA-N 1 0 217.356 3.745 10 0 BHAERO CCCc1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000070709729 537883418 /nfs/dbraw/zinc/88/34/18/537883418.db2.gz JHQPYLHTDRWRLO-WFASDCNBSA-N 1 0 217.356 3.842 10 0 BHAERO CCCc1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000070709730 537883992 /nfs/dbraw/zinc/88/39/92/537883992.db2.gz JHQPYLHTDRWRLO-SWLSCSKDSA-N 1 0 217.356 3.842 10 0 BHAERO CCCc1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000070709732 537883060 /nfs/dbraw/zinc/88/30/60/537883060.db2.gz JHQPYLHTDRWRLO-DOMZBBRYSA-N 1 0 217.356 3.842 10 0 BHAERO CCCc1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000070709735 537883898 /nfs/dbraw/zinc/88/38/98/537883898.db2.gz JHQPYLHTDRWRLO-IUODEOHRSA-N 1 0 217.356 3.842 10 0 BHAERO Cc1ccc(C[C@@H](C)[NH2+]CCC(C)C)s1 ZINC000070716158 325024455 /nfs/dbraw/zinc/02/44/55/325024455.db2.gz SMWRJGHNCIVOMH-LLVKDONJSA-N 1 0 225.401 3.623 10 0 BHAERO Cc1ccc(C[C@H](C)[NH2+]CCC(C)C)s1 ZINC000070716160 325024463 /nfs/dbraw/zinc/02/44/63/325024463.db2.gz SMWRJGHNCIVOMH-NSHDSACASA-N 1 0 225.401 3.623 10 0 BHAERO C[C@H]([NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC000070740845 350054988 /nfs/dbraw/zinc/05/49/88/350054988.db2.gz OIGDREIJACAVFZ-QMMMGPOBSA-N 1 0 232.154 3.663 10 0 BHAERO C[C@@H]([NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC000070740847 350055319 /nfs/dbraw/zinc/05/53/19/350055319.db2.gz OIGDREIJACAVFZ-MRVPVSSYSA-N 1 0 232.154 3.663 10 0 BHAERO [NH3+][C@H]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC000070740904 361752545 /nfs/dbraw/zinc/75/25/45/361752545.db2.gz CVRZWMRQEDXQKP-SFYZADRCSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC000070740905 361752722 /nfs/dbraw/zinc/75/27/22/361752722.db2.gz CVRZWMRQEDXQKP-YUMQZZPRSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC000070740907 361752701 /nfs/dbraw/zinc/75/27/01/361752701.db2.gz CVRZWMRQEDXQKP-HTQZYQBOSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC000070740910 361752858 /nfs/dbraw/zinc/75/28/58/361752858.db2.gz CVRZWMRQEDXQKP-JGVFFNPUSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070741068 398095927 /nfs/dbraw/zinc/09/59/27/398095927.db2.gz CQELUNSDLLZKKA-CBAPKCEASA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070741069 181592036 /nfs/dbraw/zinc/59/20/36/181592036.db2.gz CQELUNSDLLZKKA-VXNVDRBHSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070741070 181593209 /nfs/dbraw/zinc/59/32/09/181593209.db2.gz CQELUNSDLLZKKA-IONNQARKSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H]1CCC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC000070741331 181646719 /nfs/dbraw/zinc/64/67/19/181646719.db2.gz GPVLFONWDGLYMJ-BDAKNGLRSA-N 1 0 244.165 3.978 10 0 BHAERO [NH3+][C@@H]1CCC[C@H](c2cccc(Cl)c2Cl)C1 ZINC000070741334 181584776 /nfs/dbraw/zinc/58/47/76/181584776.db2.gz GPVLFONWDGLYMJ-DTWKUNHWSA-N 1 0 244.165 3.978 10 0 BHAERO [NH3+][C@@H]1CCC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070741492 181584638 /nfs/dbraw/zinc/58/46/38/181584638.db2.gz NSRAFDUYQAUZDB-WCBMZHEXSA-N 1 0 244.165 3.978 10 0 BHAERO CC[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070743406 170113633 /nfs/dbraw/zinc/11/36/33/170113633.db2.gz XXIOMIWZBFCVBJ-UHFFFAOYSA-N 1 0 232.154 3.536 10 0 BHAERO CCC[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070743448 169258369 /nfs/dbraw/zinc/25/83/69/169258369.db2.gz FPNDHNKMDVVFKG-UHFFFAOYSA-N 1 0 246.181 3.926 10 0 BHAERO CC(C)[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070743490 167102934 /nfs/dbraw/zinc/10/29/34/167102934.db2.gz YVNVQKSZFMMMTQ-UHFFFAOYSA-N 1 0 246.181 3.924 10 0 BHAERO C[NH2+][C@H]1CC[C@@H](c2ccc(C(C)C)cc2)C1 ZINC000070744345 173467876 /nfs/dbraw/zinc/46/78/76/173467876.db2.gz PWJJPDBETLYQKQ-CABCVRRESA-N 1 0 217.356 3.666 10 0 BHAERO C[NH2+][C@@H]1CC[C@@H](c2ccc(C(C)C)cc2)C1 ZINC000070744347 173438954 /nfs/dbraw/zinc/43/89/54/173438954.db2.gz PWJJPDBETLYQKQ-HUUCEWRRSA-N 1 0 217.356 3.666 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000070761126 325029682 /nfs/dbraw/zinc/02/96/82/325029682.db2.gz ZYHCPIQNYADHJP-XQQFMLRXSA-N 1 0 237.412 3.847 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000070761132 325029527 /nfs/dbraw/zinc/02/95/27/325029527.db2.gz ZYHCPIQNYADHJP-YNEHKIRRSA-N 1 0 237.412 3.847 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000070762325 325029930 /nfs/dbraw/zinc/02/99/30/325029930.db2.gz AIYFYCWMPSPIPA-RDBSUJKOSA-N 1 0 207.361 3.511 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000070762328 325029514 /nfs/dbraw/zinc/02/95/14/325029514.db2.gz AIYFYCWMPSPIPA-HZSPNIEDSA-N 1 0 207.361 3.511 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(C2CCCCC2)n1 ZINC000070841279 170142744 /nfs/dbraw/zinc/14/27/44/170142744.db2.gz KRPACUFCVXEONO-JTQLQIEISA-N 1 0 238.400 3.861 10 0 BHAERO CC[NH2+][C@H](C)c1csc(C2CCCCC2)n1 ZINC000070841285 170159698 /nfs/dbraw/zinc/15/96/98/170159698.db2.gz KRPACUFCVXEONO-SNVBAGLBSA-N 1 0 238.400 3.861 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(-c2cccs2)n1 ZINC000070841360 170142478 /nfs/dbraw/zinc/14/24/78/170142478.db2.gz ITDKEVCQLMVLCC-QMMMGPOBSA-N 1 0 238.381 3.542 10 0 BHAERO CC[NH2+][C@H](C)c1csc(-c2cccs2)n1 ZINC000070841367 170160146 /nfs/dbraw/zinc/16/01/46/170160146.db2.gz ITDKEVCQLMVLCC-MRVPVSSYSA-N 1 0 238.381 3.542 10 0 BHAERO CC[NH2+][C@H](C)c1csc(C(CC)CC)n1 ZINC000070842243 170160215 /nfs/dbraw/zinc/16/02/15/170160215.db2.gz WUDLMULTYIGILA-SECBINFHSA-N 1 0 226.389 3.717 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(C(CC)CC)n1 ZINC000070842247 170143274 /nfs/dbraw/zinc/14/32/74/170143274.db2.gz WUDLMULTYIGILA-VIFPVBQESA-N 1 0 226.389 3.717 10 0 BHAERO C[C@H]([NH3+])c1csc(-c2ccc(Cl)s2)n1 ZINC000070842765 388246141 /nfs/dbraw/zinc/24/61/41/388246141.db2.gz FPXZKCDVVWCRFU-YFKPBYRVSA-N 1 0 244.772 3.545 10 0 BHAERO C[C@@H]([NH3+])c1csc(-c2ccc(Cl)s2)n1 ZINC000070842768 361797091 /nfs/dbraw/zinc/79/70/91/361797091.db2.gz FPXZKCDVVWCRFU-RXMQYKEDSA-N 1 0 244.772 3.545 10 0 BHAERO [NH3+][C@H](CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000070917586 361884753 /nfs/dbraw/zinc/88/47/53/361884753.db2.gz MCKWSIDLVYNDCH-SECBINFHSA-N 1 0 237.652 3.682 10 0 BHAERO [NH3+][C@@H](CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000070917589 361885213 /nfs/dbraw/zinc/88/52/13/361885213.db2.gz MCKWSIDLVYNDCH-VIFPVBQESA-N 1 0 237.652 3.682 10 0 BHAERO [NH3+][C@H](CCC(F)(F)F)c1cccc(Cl)c1 ZINC000070917624 361885374 /nfs/dbraw/zinc/88/53/74/361885374.db2.gz CULQTCGEZVHEAL-SECBINFHSA-N 1 0 237.652 3.682 10 0 BHAERO [NH3+][C@@H](CCC(F)(F)F)c1cccc(Cl)c1 ZINC000070917628 361885090 /nfs/dbraw/zinc/88/50/90/361885090.db2.gz CULQTCGEZVHEAL-VIFPVBQESA-N 1 0 237.652 3.682 10 0 BHAERO CCc1ccc([C@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917679 361885135 /nfs/dbraw/zinc/88/51/35/361885135.db2.gz KFCJFPUDQBURGC-LLVKDONJSA-N 1 0 231.261 3.591 10 0 BHAERO CCc1ccc([C@@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917682 361884663 /nfs/dbraw/zinc/88/46/63/361884663.db2.gz KFCJFPUDQBURGC-NSHDSACASA-N 1 0 231.261 3.591 10 0 BHAERO [NH3+][C@H](CCC(F)(F)F)c1ccccc1Cl ZINC000070918107 361885344 /nfs/dbraw/zinc/88/53/44/361885344.db2.gz JQWWCHBWXBUCNC-SECBINFHSA-N 1 0 237.652 3.682 10 0 BHAERO [NH3+][C@@H](CCC(F)(F)F)c1ccccc1Cl ZINC000070918110 361885288 /nfs/dbraw/zinc/88/52/88/361885288.db2.gz JQWWCHBWXBUCNC-VIFPVBQESA-N 1 0 237.652 3.682 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@@H](C)Cc1ccc(F)cc1 ZINC000070941797 169278115 /nfs/dbraw/zinc/27/81/15/169278115.db2.gz CNYYBEKIWMKQLP-WFASDCNBSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](CC)[C@@H](C)Cc1ccc(F)cc1 ZINC000070941798 169288285 /nfs/dbraw/zinc/28/82/85/169288285.db2.gz CNYYBEKIWMKQLP-SWLSCSKDSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@H](C)Cc1ccc(F)cc1 ZINC000070941799 169278077 /nfs/dbraw/zinc/27/80/77/169278077.db2.gz CNYYBEKIWMKQLP-DOMZBBRYSA-N 1 0 237.362 3.783 10 0 BHAERO CCC[NH2+][C@H](CC)[C@H](C)Cc1ccc(F)cc1 ZINC000070941800 169288307 /nfs/dbraw/zinc/28/83/07/169288307.db2.gz CNYYBEKIWMKQLP-IUODEOHRSA-N 1 0 237.362 3.783 10 0 BHAERO Cc1ccc2oc([C@H]([NH3+])C(C)(C)C)cc2c1 ZINC000070955045 566272610 /nfs/dbraw/zinc/27/26/10/566272610.db2.gz MVLJUBABUUDBLH-ZDUSSCGKSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1ccc2oc([C@@H]([NH3+])C(C)(C)C)cc2c1 ZINC000070955050 566273023 /nfs/dbraw/zinc/27/30/23/566273023.db2.gz MVLJUBABUUDBLH-CYBMUJFWSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000070977868 170971153 /nfs/dbraw/zinc/97/11/53/170971153.db2.gz CKFXSXVIECWSCK-GDBMZVCRSA-N 1 0 249.373 3.927 10 0 BHAERO CC[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000070977869 171612485 /nfs/dbraw/zinc/61/24/85/171612485.db2.gz CKFXSXVIECWSCK-GOEBONIOSA-N 1 0 249.373 3.927 10 0 BHAERO CCC[NH2+][C@@H]1CC[C@@H](CCC)C[C@H]1CC ZINC000071084294 169283188 /nfs/dbraw/zinc/28/31/88/169283188.db2.gz WDBWFEVHMNZEQF-MGPQQGTHSA-N 1 0 211.393 3.981 10 0 BHAERO CCC[NH2+][C@@H]1CC[C@H](CCC)C[C@H]1CC ZINC000071084295 169283289 /nfs/dbraw/zinc/28/32/89/169283289.db2.gz WDBWFEVHMNZEQF-BFHYXJOUSA-N 1 0 211.393 3.981 10 0 BHAERO CC(C)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000071084344 166899454 /nfs/dbraw/zinc/89/94/54/166899454.db2.gz BWIIEOQINLEDEC-MCIONIFRSA-N 1 0 211.393 3.822 10 0 BHAERO CCCCC[C@H]([NH2+]C)C1CCC(C)CC1 ZINC000071085463 168745020 /nfs/dbraw/zinc/74/50/20/168745020.db2.gz HHIBHDWFRUAZPT-RUXDESIVSA-N 1 0 211.393 3.981 10 0 BHAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000071122329 388012027 /nfs/dbraw/zinc/01/20/27/388012027.db2.gz PETMREJNHRGFJV-VNHYZAJKSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000071122337 388012290 /nfs/dbraw/zinc/01/22/90/388012290.db2.gz PETMREJNHRGFJV-UMVBOHGHSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1cc(C[NH3+])ccc1Oc1cc(F)ccc1F ZINC000071166911 177984405 /nfs/dbraw/zinc/98/44/05/177984405.db2.gz IWGUFXGWMYJIKS-UHFFFAOYSA-N 1 0 249.260 3.524 10 0 BHAERO CCCCC[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000071169494 517557262 /nfs/dbraw/zinc/55/72/62/517557262.db2.gz LIKDGYTUEYJBOU-OAHLLOKOSA-N 1 0 235.371 3.535 10 0 BHAERO COc1ccc(C[C@@](C)([NH3+])C2CCCCC2)cc1 ZINC000071169525 175116445 /nfs/dbraw/zinc/11/64/45/175116445.db2.gz YNMGFHJDFKSYBV-MRXNPFEDSA-N 1 0 247.382 3.535 10 0 BHAERO COc1ccc(C[C@@](C)([NH3+])CCC(C)(C)C)cc1 ZINC000071169651 175116537 /nfs/dbraw/zinc/11/65/37/175116537.db2.gz YXXWTANSOWFBLY-INIZCTEOSA-N 1 0 249.398 3.781 10 0 BHAERO COc1ccc(C[C@](C)([NH3+])CCC(C)(C)C)cc1 ZINC000071169652 188487914 /nfs/dbraw/zinc/48/79/14/188487914.db2.gz YXXWTANSOWFBLY-MRXNPFEDSA-N 1 0 249.398 3.781 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170174 643101975 /nfs/dbraw/zinc/10/19/75/643101975.db2.gz ATMUQKAXQDVCAR-GFCCVEGCSA-N 1 0 247.382 3.534 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170175 643103736 /nfs/dbraw/zinc/10/37/36/643103736.db2.gz ATMUQKAXQDVCAR-LBPRGKRZSA-N 1 0 247.382 3.534 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(O)cc1 ZINC000071205520 171547400 /nfs/dbraw/zinc/54/74/00/171547400.db2.gz OLVMLWUPZKZOAS-CQDKDKBSSA-N 1 0 233.355 3.622 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(O)cc1 ZINC000071205521 170914181 /nfs/dbraw/zinc/91/41/81/170914181.db2.gz OLVMLWUPZKZOAS-GLQYFDAESA-N 1 0 233.355 3.622 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000071205614 175079342 /nfs/dbraw/zinc/07/93/42/175079342.db2.gz QOTHULQUQSSUKJ-GZBFAFLISA-N 1 0 247.382 3.843 10 0 BHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000071205616 175079125 /nfs/dbraw/zinc/07/91/25/175079125.db2.gz QOTHULQUQSSUKJ-GUTXKFCHSA-N 1 0 247.382 3.843 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1OC ZINC000071206465 170914168 /nfs/dbraw/zinc/91/41/68/170914168.db2.gz JEYMZXGYCRKUTB-CFVMTHIKSA-N 1 0 247.382 3.925 10 0 BHAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cnccc21 ZINC000071206870 176131686 /nfs/dbraw/zinc/13/16/86/176131686.db2.gz DSIFSXKCFMTXTO-WBMJQRKESA-N 1 0 240.350 3.513 10 0 BHAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cnccc21 ZINC000071206871 177126733 /nfs/dbraw/zinc/12/67/33/177126733.db2.gz DSIFSXKCFMTXTO-LRDDRELGSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cnccc21 ZINC000071206872 176150571 /nfs/dbraw/zinc/15/05/71/176150571.db2.gz DSIFSXKCFMTXTO-MLGOLLRUSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cnccc21 ZINC000071206873 177142899 /nfs/dbraw/zinc/14/28/99/177142899.db2.gz DSIFSXKCFMTXTO-BLLLJJGKSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071207030 176132298 /nfs/dbraw/zinc/13/22/98/176132298.db2.gz TZKCIMVPFHGCHJ-XFBWCDHKSA-N 1 0 245.366 3.548 10 0 BHAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071207031 177126687 /nfs/dbraw/zinc/12/66/87/177126687.db2.gz TZKCIMVPFHGCHJ-KNXALSJPSA-N 1 0 245.366 3.548 10 0 BHAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071207032 176150288 /nfs/dbraw/zinc/15/02/88/176150288.db2.gz TZKCIMVPFHGCHJ-HFBAOOFYSA-N 1 0 245.366 3.548 10 0 BHAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071207033 177142803 /nfs/dbraw/zinc/14/28/03/177142803.db2.gz TZKCIMVPFHGCHJ-IUIKQTSFSA-N 1 0 245.366 3.548 10 0 BHAERO C[C@@H]1CCC[C@@H]1n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071209373 176133261 /nfs/dbraw/zinc/13/32/61/176133261.db2.gz JOMVBPLFKMQDSZ-XBFCOCLRSA-N 1 0 246.398 3.821 10 0 BHAERO C[C@H]1CCC[C@@H]1n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071209374 177127413 /nfs/dbraw/zinc/12/74/13/177127413.db2.gz JOMVBPLFKMQDSZ-UBHSHLNASA-N 1 0 246.398 3.821 10 0 BHAERO C[C@@H]1CCC[C@H]1n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071209375 176151754 /nfs/dbraw/zinc/15/17/54/176151754.db2.gz JOMVBPLFKMQDSZ-KWCYVHTRSA-N 1 0 246.398 3.821 10 0 BHAERO C[C@H]1CCC[C@H]1n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071209376 177143410 /nfs/dbraw/zinc/14/34/10/177143410.db2.gz JOMVBPLFKMQDSZ-FPMFFAJLSA-N 1 0 246.398 3.821 10 0 BHAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ncccc1C ZINC000071338916 171297031 /nfs/dbraw/zinc/29/70/31/171297031.db2.gz QEOOKUHNURKNQZ-GXTWGEPZSA-N 1 0 234.387 3.694 10 0 BHAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ncccc1C ZINC000071338918 171298930 /nfs/dbraw/zinc/29/89/30/171298930.db2.gz QEOOKUHNURKNQZ-JSGCOSHPSA-N 1 0 234.387 3.694 10 0 BHAERO Cc1cccnc1C[NH2+][C@@H](C)c1ccccc1C ZINC000071339352 179339614 /nfs/dbraw/zinc/33/96/14/179339614.db2.gz ZWYZSPHBYJEOLQ-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+]Cc2ncccc2C)c1 ZINC000071339788 359076769 /nfs/dbraw/zinc/07/67/69/359076769.db2.gz QTDCLZXABYVQRS-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc([C@H](C)[NH2+]Cc2ncccc2C)c1 ZINC000071339789 359076438 /nfs/dbraw/zinc/07/64/38/359076438.db2.gz QTDCLZXABYVQRS-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CC[NH2+]Cc1cc(C)ccc1OC1CCCCC1 ZINC000071406034 170125021 /nfs/dbraw/zinc/12/50/21/170125021.db2.gz HJPSABAGVQYFGC-UHFFFAOYSA-N 1 0 247.382 3.816 10 0 BHAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@@H](C)CC ZINC000071406249 169265774 /nfs/dbraw/zinc/26/57/74/169265774.db2.gz VUQWAVSFZRWCHC-ZDUSSCGKSA-N 1 0 249.398 3.920 10 0 BHAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@H](C)CC ZINC000071406250 169265683 /nfs/dbraw/zinc/26/56/83/169265683.db2.gz VUQWAVSFZRWCHC-CYBMUJFWSA-N 1 0 249.398 3.920 10 0 BHAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C)CC ZINC000071406310 169265389 /nfs/dbraw/zinc/26/53/89/169265389.db2.gz RWGOGLXMHLLYTJ-ZDUSSCGKSA-N 1 0 235.371 3.672 10 0 BHAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C)CC ZINC000071406311 169265939 /nfs/dbraw/zinc/26/59/39/169265939.db2.gz RWGOGLXMHLLYTJ-CYBMUJFWSA-N 1 0 235.371 3.672 10 0 BHAERO CCC[NH2+]Cc1cc(C)ccc1OC1CCCC1 ZINC000071406353 169265948 /nfs/dbraw/zinc/26/59/48/169265948.db2.gz KCDWPEXVZYNPPG-UHFFFAOYSA-N 1 0 247.382 3.816 10 0 BHAERO CCCCOc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407351 168917564 /nfs/dbraw/zinc/91/75/64/168917564.db2.gz IBOCZNXJKKTCFD-UHFFFAOYSA-N 1 0 249.398 3.920 10 0 BHAERO Cc1ccc(OCCC(C)(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411847 178810823 /nfs/dbraw/zinc/81/08/23/178810823.db2.gz ACZCZANMENAXTD-CYBMUJFWSA-N 1 0 249.398 3.700 10 0 BHAERO CC[NH2+][C@@H](CC)Cc1ccc(Cl)c(C)c1 ZINC000071422943 643144538 /nfs/dbraw/zinc/14/45/38/643144538.db2.gz CBEZJCBCWBMXTJ-LBPRGKRZSA-N 1 0 225.763 3.579 10 0 BHAERO CC[NH2+][C@H](CC)Cc1ccc(Cl)c(C)c1 ZINC000071422944 643145072 /nfs/dbraw/zinc/14/50/72/643145072.db2.gz CBEZJCBCWBMXTJ-GFCCVEGCSA-N 1 0 225.763 3.579 10 0 BHAERO CCCC[C@H]([NH3+])Cc1ccc(C(C)C)cc1 ZINC000071424410 169009456 /nfs/dbraw/zinc/00/94/56/169009456.db2.gz NFWOTCDXRCBGLP-HNNXBMFYSA-N 1 0 219.372 3.870 10 0 BHAERO CCCC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000071424418 635479620 /nfs/dbraw/zinc/47/96/20/635479620.db2.gz WKJNHQFBURIZIR-LBPRGKRZSA-N 1 0 225.763 3.708 10 0 BHAERO CCCC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000071424419 643145607 /nfs/dbraw/zinc/14/56/07/643145607.db2.gz WKJNHQFBURIZIR-GFCCVEGCSA-N 1 0 225.763 3.708 10 0 BHAERO CCCC[C@H]([NH3+])Cc1c(C)cc(C)cc1C ZINC000071424474 169009269 /nfs/dbraw/zinc/00/92/69/169009269.db2.gz DTXWKGMHVNQIAM-AWEZNQCLSA-N 1 0 219.372 3.672 10 0 BHAERO Cc1cc(C[C@H]([NH3+])CC(C)C)ccc1Cl ZINC000071424624 643146212 /nfs/dbraw/zinc/14/62/12/643146212.db2.gz RRSCTVPASQBRLK-GFCCVEGCSA-N 1 0 225.763 3.564 10 0 BHAERO Cc1cc(C[C@@H]([NH3+])CC(C)C)ccc1Cl ZINC000071424625 643145539 /nfs/dbraw/zinc/14/55/39/643145539.db2.gz RRSCTVPASQBRLK-LBPRGKRZSA-N 1 0 225.763 3.564 10 0 BHAERO CC(C)C[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000071424626 187242100 /nfs/dbraw/zinc/24/21/00/187242100.db2.gz FJWUNFDGXVRTAS-HNNXBMFYSA-N 1 0 233.399 3.900 10 0 BHAERO CC(C)Cc1ccc(C[C@H]([NH3+])CC(C)C)cc1 ZINC000071424688 188130906 /nfs/dbraw/zinc/13/09/06/188130906.db2.gz SVSIIBIUFABVPW-MRXNPFEDSA-N 1 0 233.399 3.801 10 0 BHAERO CC(C)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000071424697 167422578 /nfs/dbraw/zinc/42/25/78/167422578.db2.gz QATAZRHOSGPDJB-KRWDZBQOSA-N 1 0 239.362 3.879 10 0 BHAERO CC(C)C[NH2+]CCc1ccc(CC(C)C)cc1 ZINC000071443935 167004254 /nfs/dbraw/zinc/00/42/54/167004254.db2.gz ROMILRVHJMZMOS-UHFFFAOYSA-N 1 0 233.399 3.673 10 0 BHAERO CCC[NH2+][C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000071444329 643145344 /nfs/dbraw/zinc/14/53/44/643145344.db2.gz YRVAUFAPPSQGJI-NSHDSACASA-N 1 0 225.763 3.579 10 0 BHAERO CCC[NH2+][C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000071444330 643145490 /nfs/dbraw/zinc/14/54/90/643145490.db2.gz YRVAUFAPPSQGJI-LLVKDONJSA-N 1 0 225.763 3.579 10 0 BHAERO CCC[NH2+][C@@H](C)Cc1ccc(CC(C)C)cc1 ZINC000071444395 169275430 /nfs/dbraw/zinc/27/54/30/169275430.db2.gz UCCREGLNTFRKQM-AWEZNQCLSA-N 1 0 233.399 3.816 10 0 BHAERO CCC[NH2+][C@H](C)Cc1ccc(CC(C)C)cc1 ZINC000071444396 169285778 /nfs/dbraw/zinc/28/57/78/169285778.db2.gz UCCREGLNTFRKQM-CQSZACIVSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+]Cc1oc2ccc(Cl)cc2c1C ZINC000071453060 170132212 /nfs/dbraw/zinc/13/22/12/170132212.db2.gz FTRYUIDCWNHCSU-UHFFFAOYSA-N 1 0 223.703 3.504 10 0 BHAERO C[C@H]([NH3+])c1ccc(Cl)c2ccccc21 ZINC000071453833 398150942 /nfs/dbraw/zinc/15/09/42/398150942.db2.gz XQOJNXMFDXTZML-QMMMGPOBSA-N 1 0 205.688 3.513 10 0 BHAERO C[C@@H]([NH3+])c1ccc(Cl)c2ccccc21 ZINC000071453834 398150917 /nfs/dbraw/zinc/15/09/17/398150917.db2.gz XQOJNXMFDXTZML-MRVPVSSYSA-N 1 0 205.688 3.513 10 0 BHAERO CC(C)Sc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000071454159 167337288 /nfs/dbraw/zinc/33/72/88/167337288.db2.gz AKAZHKNOFGKKTL-MRVPVSSYSA-N 1 0 229.776 3.860 10 0 BHAERO CC(C)Sc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000071454160 167336576 /nfs/dbraw/zinc/33/65/76/167336576.db2.gz AKAZHKNOFGKKTL-QMMMGPOBSA-N 1 0 229.776 3.860 10 0 BHAERO Cc1ccc(SC(C)C)c([C@@H](C)[NH3+])c1 ZINC000071454512 188305960 /nfs/dbraw/zinc/30/59/60/188305960.db2.gz SJRXMBIPKANYPX-SNVBAGLBSA-N 1 0 209.358 3.515 10 0 BHAERO [NH3+][C@@H](c1c[nH]c2ccccc12)C1CCCCC1 ZINC000071488369 388444540 /nfs/dbraw/zinc/44/45/40/388444540.db2.gz SWHFUEAFAYFRCS-OAHLLOKOSA-N 1 0 228.339 3.748 10 0 BHAERO [NH3+][C@H](c1c[nH]c2ccccc12)C1CCCCC1 ZINC000071488371 388444504 /nfs/dbraw/zinc/44/45/04/388444504.db2.gz SWHFUEAFAYFRCS-HNNXBMFYSA-N 1 0 228.339 3.748 10 0 BHAERO CC(C)c1ccc([C@H]([NH3+])C2(C)CC2)cc1 ZINC000071508732 167618361 /nfs/dbraw/zinc/61/83/61/167618361.db2.gz FXECJQVVQVFTKZ-ZDUSSCGKSA-N 1 0 203.329 3.610 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1ccccc1 ZINC000071509856 167389377 /nfs/dbraw/zinc/38/93/77/167389377.db2.gz CCDMHHOLLXAKQU-CQSZACIVSA-N 1 0 205.345 3.555 10 0 BHAERO CC(C)([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000071518288 187960059 /nfs/dbraw/zinc/96/00/59/187960059.db2.gz CKJGGRVGNROOBA-UHFFFAOYSA-N 1 0 211.308 3.547 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1cccs1 ZINC000071518334 167389917 /nfs/dbraw/zinc/38/99/17/167389917.db2.gz RZVDCABNAVXUNL-LLVKDONJSA-N 1 0 211.374 3.617 10 0 BHAERO CC(C)(C)C[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000071519836 166602744 /nfs/dbraw/zinc/60/27/44/166602744.db2.gz GQVQGVNJHZGXOP-LBPRGKRZSA-N 1 0 216.328 3.604 10 0 BHAERO CC(C)(C)c1ccc([C@@H]([NH3+])C2(C)CC2)cc1 ZINC000071520268 188305488 /nfs/dbraw/zinc/30/54/88/188305488.db2.gz JZVBJCAVCHBKIG-CYBMUJFWSA-N 1 0 217.356 3.784 10 0 BHAERO CC(C)(C)c1ccc([C@H]([NH3+])C2(C)CC2)cc1 ZINC000071520269 385917032 /nfs/dbraw/zinc/91/70/32/385917032.db2.gz JZVBJCAVCHBKIG-ZDUSSCGKSA-N 1 0 217.356 3.784 10 0 BHAERO CCCc1ccc(/C(C)=C/CCC[NH3+])cc1 ZINC000071520290 169569316 /nfs/dbraw/zinc/56/93/16/169569316.db2.gz NTSDOXSCZBHMGC-NTUHNPAUSA-N 1 0 217.356 3.781 10 0 BHAERO Cc1cc(C)c([C@@H]([NH3+])C2CCCC2)cc1C ZINC000071520323 177871468 /nfs/dbraw/zinc/87/14/68/177871468.db2.gz SEQIBNVGTQVYDE-HNNXBMFYSA-N 1 0 217.356 3.802 10 0 BHAERO Cc1ccc([C@@H](CCCC[NH3+])C(C)C)cc1 ZINC000071522061 178853698 /nfs/dbraw/zinc/85/36/98/178853698.db2.gz LBEIKKPHLDNBRE-HNNXBMFYSA-N 1 0 219.372 3.864 10 0 BHAERO CCCCc1ccc(CC(C)(C)C[NH3+])cc1 ZINC000071522078 169020643 /nfs/dbraw/zinc/02/06/43/169020643.db2.gz QAKYLBAEOHACJR-UHFFFAOYSA-N 1 0 219.372 3.557 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(F)cc1 ZINC000071531389 167389889 /nfs/dbraw/zinc/38/98/89/167389889.db2.gz RFRICTXNOFOQBB-CQSZACIVSA-N 1 0 223.335 3.694 10 0 BHAERO C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000071531497 173321873 /nfs/dbraw/zinc/32/18/73/173321873.db2.gz SRJVLDLYNYIEAE-UHFFFAOYSA-N 1 0 223.747 3.719 10 0 BHAERO C[NH2+]CCCc1ccc(-c2ccccc2)cc1 ZINC000071532470 173350843 /nfs/dbraw/zinc/35/08/43/173350843.db2.gz UXMYPIXPCWNJDF-UHFFFAOYSA-N 1 0 225.335 3.506 10 0 BHAERO CC(C)([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000071533246 384172130 /nfs/dbraw/zinc/17/21/30/384172130.db2.gz YLAODKGKGJCBKP-UHFFFAOYSA-N 1 0 227.307 3.673 10 0 BHAERO [NH3+]C[C@H](c1ccc(Cl)s1)C1CCCC1 ZINC000071534503 181453457 /nfs/dbraw/zinc/45/34/57/181453457.db2.gz SAOOPMXQTKWLTC-VIFPVBQESA-N 1 0 229.776 3.634 10 0 BHAERO C[C@@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000071535607 176235832 /nfs/dbraw/zinc/23/58/32/176235832.db2.gz CRZTUONMSGTBMI-OCCSQVGLSA-N 1 0 231.383 3.840 10 0 BHAERO C[C@H]([NH3+])C1(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000071535611 518182689 /nfs/dbraw/zinc/18/26/89/518182689.db2.gz MFVWRMFQYPQHHL-LBPRGKRZSA-N 1 0 231.383 3.654 10 0 BHAERO CC(C)(C)c1ccc([C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000071535685 187241932 /nfs/dbraw/zinc/24/19/32/187241932.db2.gz GVRIBRNAJQADDA-HIFRSBDPSA-N 1 0 231.383 3.969 10 0 BHAERO CC(C)(C)c1ccc([C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000071535686 188269641 /nfs/dbraw/zinc/26/96/41/188269641.db2.gz GVRIBRNAJQADDA-ZFWWWQNUSA-N 1 0 231.383 3.969 10 0 BHAERO CC(C)(C)c1ccc([C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000071535687 187754125 /nfs/dbraw/zinc/75/41/25/187754125.db2.gz GVRIBRNAJQADDA-UKRRQHHQSA-N 1 0 231.383 3.969 10 0 BHAERO CC(C)(C)c1ccc([C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000071535688 188268870 /nfs/dbraw/zinc/26/88/70/188268870.db2.gz GVRIBRNAJQADDA-DZGCQCFKSA-N 1 0 231.383 3.969 10 0 BHAERO COc1ccc(/C=C/CCC[NH3+])cc1C(C)C ZINC000071537417 175046991 /nfs/dbraw/zinc/04/69/91/175046991.db2.gz MZZPVMQKKFYDQL-FNORWQNLSA-N 1 0 233.355 3.571 10 0 BHAERO COc1ccc(C(C)C)cc1/C=C/CCC[NH3+] ZINC000071537425 175068740 /nfs/dbraw/zinc/06/87/40/175068740.db2.gz BKAOYCXEMDORCR-FNORWQNLSA-N 1 0 233.355 3.571 10 0 BHAERO COc1cc(C)c([C@H]([NH3+])C2CCCC2)cc1C ZINC000071537455 174962873 /nfs/dbraw/zinc/96/28/73/174962873.db2.gz FJOCFNOKXQGHKC-OAHLLOKOSA-N 1 0 233.355 3.502 10 0 BHAERO CCCCOc1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000071537528 187787511 /nfs/dbraw/zinc/78/75/11/187787511.db2.gz ALRMUXLWMZBAMK-HNNXBMFYSA-N 1 0 233.355 3.665 10 0 BHAERO CCCCOc1ccc([C@H]([NH3+])C2(C)CC2)cc1 ZINC000071537529 188306142 /nfs/dbraw/zinc/30/61/42/188306142.db2.gz JEDSYDTVBQZYIK-AWEZNQCLSA-N 1 0 233.355 3.665 10 0 BHAERO CC(C)(C)Oc1ccc(/C=C/CCC[NH3+])cc1 ZINC000071537541 166685926 /nfs/dbraw/zinc/68/59/26/166685926.db2.gz AGJSUUUDYDMCLC-FNORWQNLSA-N 1 0 233.355 3.616 10 0 BHAERO CCOc1ccc(/C(C)=C/CCC[NH3+])cc1C ZINC000071537580 170534182 /nfs/dbraw/zinc/53/41/82/170534182.db2.gz BTEHULCSQKXPSU-KPKJPENVSA-N 1 0 233.355 3.536 10 0 BHAERO COc1ccc([C@@H](C)CCC[NH3+])cc1C(C)C ZINC000071546576 175176290 /nfs/dbraw/zinc/17/62/90/175176290.db2.gz MUIJTPYYXVAGDG-LBPRGKRZSA-N 1 0 235.371 3.661 10 0 BHAERO COc1ccc([C@H](C)CCC[NH3+])cc1C(C)C ZINC000071546577 175187277 /nfs/dbraw/zinc/18/72/77/175187277.db2.gz MUIJTPYYXVAGDG-GFCCVEGCSA-N 1 0 235.371 3.661 10 0 BHAERO COc1ccc(C(C)C)cc1[C@@H](C)CCC[NH3+] ZINC000071546580 175069207 /nfs/dbraw/zinc/06/92/07/175069207.db2.gz XNGUZHGCXFBSRU-LBPRGKRZSA-N 1 0 235.371 3.661 10 0 BHAERO COc1ccc(C(C)C)cc1[C@H](C)CCC[NH3+] ZINC000071546581 175069359 /nfs/dbraw/zinc/06/93/59/175069359.db2.gz XNGUZHGCXFBSRU-GFCCVEGCSA-N 1 0 235.371 3.661 10 0 BHAERO COc1cc(C)c(C)cc1[C@@H](C)CCCC[NH3+] ZINC000071546590 174956272 /nfs/dbraw/zinc/95/62/72/174956272.db2.gz CNMAHOFOHWJTHQ-NSHDSACASA-N 1 0 235.371 3.545 10 0 BHAERO COc1cc(C)c([C@H]([NH3+])CC(C)(C)C)cc1C ZINC000071546596 174963088 /nfs/dbraw/zinc/96/30/88/174963088.db2.gz GDQWPCPYLFDFLB-CYBMUJFWSA-N 1 0 235.371 3.748 10 0 BHAERO COc1cc(C)c([C@@H]([NH3+])CC(C)(C)C)cc1C ZINC000071546597 174961645 /nfs/dbraw/zinc/96/16/45/174961645.db2.gz GDQWPCPYLFDFLB-ZDUSSCGKSA-N 1 0 235.371 3.748 10 0 BHAERO CCC[NH2+]Cc1cc(C(C)C)c(OC)cc1C ZINC000071546653 169265799 /nfs/dbraw/zinc/26/57/99/169265799.db2.gz NNRLJIHHQYIMKP-UHFFFAOYSA-N 1 0 235.371 3.627 10 0 BHAERO Cc1cc([C@@H](C)CCC[NH3+])ccc1OC(C)C ZINC000071546682 178221462 /nfs/dbraw/zinc/22/14/62/178221462.db2.gz ZDRWLYKUKPRLKM-LBPRGKRZSA-N 1 0 235.371 3.625 10 0 BHAERO Cc1cc([C@H](C)CCC[NH3+])ccc1OC(C)C ZINC000071546683 178244096 /nfs/dbraw/zinc/24/40/96/178244096.db2.gz ZDRWLYKUKPRLKM-GFCCVEGCSA-N 1 0 235.371 3.625 10 0 BHAERO COc1c(C)cc(C)cc1[C@H](C)CCCC[NH3+] ZINC000071546691 174922651 /nfs/dbraw/zinc/92/26/51/174922651.db2.gz DVQUBTSCUIQIEU-GFCCVEGCSA-N 1 0 235.371 3.545 10 0 BHAERO COc1ccc([C@@H](C)CCCC[NH3+])c(C)c1C ZINC000071546749 175176097 /nfs/dbraw/zinc/17/60/97/175176097.db2.gz UCLKPZZTFLRYOE-NSHDSACASA-N 1 0 235.371 3.545 10 0 BHAERO COc1ccc([C@H](C)CCCC[NH3+])c(C)c1C ZINC000071546750 175187195 /nfs/dbraw/zinc/18/71/95/175187195.db2.gz UCLKPZZTFLRYOE-LLVKDONJSA-N 1 0 235.371 3.545 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1cc(F)ccc1F ZINC000071550689 167390021 /nfs/dbraw/zinc/39/00/21/167390021.db2.gz JYJKMWGBTLPIPL-GFCCVEGCSA-N 1 0 241.325 3.833 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000071550691 167389551 /nfs/dbraw/zinc/38/95/51/167389551.db2.gz ABFFPQDZOXMNOE-GFCCVEGCSA-N 1 0 241.325 3.833 10 0 BHAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000071550693 167389417 /nfs/dbraw/zinc/38/94/17/167389417.db2.gz PWRZRQDPBPMJQU-GFCCVEGCSA-N 1 0 241.325 3.833 10 0 BHAERO C[NH2+]CCCc1ccc(Oc2ccccc2)cc1 ZINC000071550705 173350730 /nfs/dbraw/zinc/35/07/30/173350730.db2.gz XCGVHIARJNIHJR-UHFFFAOYSA-N 1 0 241.334 3.631 10 0 BHAERO [NH3+]CCCCc1ccc(Oc2ccccc2)cc1 ZINC000071550708 181378972 /nfs/dbraw/zinc/37/89/72/181378972.db2.gz ZCCLORVHHBTNMA-UHFFFAOYSA-N 1 0 241.334 3.760 10 0 BHAERO COc1ccc([C@@H](C)CCCC[NH3+])cc1Cl ZINC000071551118 175176261 /nfs/dbraw/zinc/17/62/61/175176261.db2.gz HGZPUMDYYZWZOJ-JTQLQIEISA-N 1 0 241.762 3.581 10 0 BHAERO COc1ccc([C@H](C)CCCC[NH3+])cc1Cl ZINC000071551119 175187193 /nfs/dbraw/zinc/18/71/93/175187193.db2.gz HGZPUMDYYZWZOJ-SNVBAGLBSA-N 1 0 241.762 3.581 10 0 BHAERO COc1ccc(Cl)cc1[C@@H](C)CCCC[NH3+] ZINC000071551120 175122275 /nfs/dbraw/zinc/12/22/75/175122275.db2.gz XSQBCIFJKVGJFA-JTQLQIEISA-N 1 0 241.762 3.581 10 0 BHAERO COc1ccc(Cl)cc1[C@H](C)CCCC[NH3+] ZINC000071551121 175123066 /nfs/dbraw/zinc/12/30/66/175123066.db2.gz XSQBCIFJKVGJFA-SNVBAGLBSA-N 1 0 241.762 3.581 10 0 BHAERO CCC[NH2+]Cc1cc(Cl)c(OCC)cc1C ZINC000071551148 169265537 /nfs/dbraw/zinc/26/55/37/169265537.db2.gz XJWBMEMOOGPFPD-UHFFFAOYSA-N 1 0 241.762 3.547 10 0 BHAERO COc1ccc([C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000071551189 175175897 /nfs/dbraw/zinc/17/58/97/175175897.db2.gz ICVYEOXWXULTKI-JTQLQIEISA-N 1 0 241.762 3.581 10 0 BHAERO COc1ccc([C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000071551190 175187205 /nfs/dbraw/zinc/18/72/05/175187205.db2.gz ICVYEOXWXULTKI-SNVBAGLBSA-N 1 0 241.762 3.581 10 0 BHAERO [NH3+][C@@H]1CCC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000071557192 181585058 /nfs/dbraw/zinc/58/50/58/181585058.db2.gz DPUBCQCPDADOAY-CMPLNLGQSA-N 1 0 243.272 3.690 10 0 BHAERO [NH3+]CCC/C=C/c1ccc(OC2CCCC2)cc1 ZINC000071560130 181369607 /nfs/dbraw/zinc/36/96/07/181369607.db2.gz PORHSNUTSBCDIZ-QHHAFSJGSA-N 1 0 245.366 3.760 10 0 BHAERO C[NH2+]Cc1ncc(-c2ccc(C(C)C)cc2)s1 ZINC000071561126 173397743 /nfs/dbraw/zinc/39/77/43/173397743.db2.gz IYICXKNKEZFKOZ-UHFFFAOYSA-N 1 0 246.379 3.653 10 0 BHAERO CC[NH2+][C@H](C(=O)c1ccc(C(C)C)cc1)C(C)C ZINC000071562073 170156204 /nfs/dbraw/zinc/15/62/04/170156204.db2.gz FNTRQGRWQLPUQJ-HNNXBMFYSA-N 1 0 247.382 3.627 10 0 BHAERO CC[NH2+][C@@H](C(=O)c1ccc(C(C)C)cc1)C(C)C ZINC000071562074 170138148 /nfs/dbraw/zinc/13/81/48/170138148.db2.gz FNTRQGRWQLPUQJ-OAHLLOKOSA-N 1 0 247.382 3.627 10 0 BHAERO CC[NH2+][C@@H](CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000071562087 170144243 /nfs/dbraw/zinc/14/42/43/170144243.db2.gz RTPLOYAVTGUQRV-AWEZNQCLSA-N 1 0 247.382 3.555 10 0 BHAERO CC[NH2+][C@H](CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000071562088 170160845 /nfs/dbraw/zinc/16/08/45/170160845.db2.gz RTPLOYAVTGUQRV-CQSZACIVSA-N 1 0 247.382 3.555 10 0 BHAERO COc1ccc(/C(=C/CCC[NH3+])C(C)C)cc1C ZINC000071562099 175045571 /nfs/dbraw/zinc/04/55/71/175045571.db2.gz PQMBCXODQZFTRK-VIZOYTHASA-N 1 0 247.382 3.782 10 0 BHAERO COc1ccc(C)cc1/C(=C/CCC[NH3+])C(C)C ZINC000071562100 175073306 /nfs/dbraw/zinc/07/33/06/175073306.db2.gz ARGLQMYCVOOHAE-VGOFMYFVSA-N 1 0 247.382 3.782 10 0 BHAERO COc1ccc(/C=C/CCC[NH3+])cc1C(C)(C)C ZINC000071562178 175047556 /nfs/dbraw/zinc/04/75/56/175047556.db2.gz XBQWYUMBRLFXDW-SOFGYWHQSA-N 1 0 247.382 3.745 10 0 BHAERO COc1ccc(C(C)(C)C)cc1/C=C/CCC[NH3+] ZINC000071562186 175066679 /nfs/dbraw/zinc/06/66/79/175066679.db2.gz BVDAHPONSOORAT-SOFGYWHQSA-N 1 0 247.382 3.745 10 0 BHAERO COc1ccc(/C(C)=C/CCC[NH3+])cc1C(C)C ZINC000071562242 175045717 /nfs/dbraw/zinc/04/57/17/175045717.db2.gz SWVLASSORAJHBX-NTUHNPAUSA-N 1 0 247.382 3.961 10 0 BHAERO COc1ccc(C(C)C)cc1/C(C)=C/CCC[NH3+] ZINC000071562246 175068317 /nfs/dbraw/zinc/06/83/17/175068317.db2.gz KWUSSOJWYZJGGR-NTUHNPAUSA-N 1 0 247.382 3.961 10 0 BHAERO CCCOc1ccc(CC2(C[NH3+])CCCC2)cc1 ZINC000071562296 169317954 /nfs/dbraw/zinc/31/79/54/169317954.db2.gz UARCYXHBRNDUPP-UHFFFAOYSA-N 1 0 247.382 3.537 10 0 BHAERO CCCOc1ccc([C@@H](C[NH3+])C2CCCC2)cc1 ZINC000071562298 169321188 /nfs/dbraw/zinc/32/11/88/169321188.db2.gz AYWZASGEMYMHTI-INIZCTEOSA-N 1 0 247.382 3.708 10 0 BHAERO CCCOc1ccc([C@H](C[NH3+])C2CCCC2)cc1 ZINC000071562299 169322350 /nfs/dbraw/zinc/32/23/50/169322350.db2.gz AYWZASGEMYMHTI-MRXNPFEDSA-N 1 0 247.382 3.708 10 0 BHAERO COc1cc(C)c(/C=C/CCC[NH3+])cc1C(C)C ZINC000071562344 174953771 /nfs/dbraw/zinc/95/37/71/174953771.db2.gz JGJWWMAFXIWXJA-SOFGYWHQSA-N 1 0 247.382 3.879 10 0 BHAERO C/C(=C\CCC[NH3+])c1ccc(OC(C)C)c(C)c1 ZINC000071562374 188306170 /nfs/dbraw/zinc/30/61/70/188306170.db2.gz DZVHXNQIOHCNKJ-NTUHNPAUSA-N 1 0 247.382 3.924 10 0 BHAERO Cc1cc([C@@H](CC[NH3+])C2CC2)ccc1OC(C)C ZINC000071562380 178234650 /nfs/dbraw/zinc/23/46/50/178234650.db2.gz FKNJMPXBMOLOFZ-HNNXBMFYSA-N 1 0 247.382 3.625 10 0 BHAERO Cc1cc([C@H](CC[NH3+])C2CC2)ccc1OC(C)C ZINC000071562381 178261053 /nfs/dbraw/zinc/26/10/53/178261053.db2.gz FKNJMPXBMOLOFZ-OAHLLOKOSA-N 1 0 247.382 3.625 10 0 BHAERO CC(C)Oc1ccc(/C(=C/CC[NH3+])C(C)C)cc1 ZINC000071562383 167288129 /nfs/dbraw/zinc/28/81/29/167288129.db2.gz DBZYQVMFVBGFGI-OMCISZLKSA-N 1 0 247.382 3.862 10 0 BHAERO CC(C)Oc1ccc(CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000071562457 167292865 /nfs/dbraw/zinc/29/28/65/167292865.db2.gz XICUJPVUVJANLD-OAHLLOKOSA-N 1 0 247.382 3.549 10 0 BHAERO CC(C)Oc1ccc(CCC[C@H]2CCC[NH2+]2)cc1 ZINC000071562458 167291742 /nfs/dbraw/zinc/29/17/42/167291742.db2.gz XICUJPVUVJANLD-HNNXBMFYSA-N 1 0 247.382 3.549 10 0 BHAERO COc1cc(Cl)c([C@@H]([NH3+])C(C)C)cc1Cl ZINC000071562691 174988624 /nfs/dbraw/zinc/98/86/24/174988624.db2.gz ZBFNEEACKHNXAG-NSHDSACASA-N 1 0 248.153 3.658 10 0 BHAERO COc1cc(Cl)c([C@H]([NH3+])C(C)C)cc1Cl ZINC000071562692 174989595 /nfs/dbraw/zinc/98/95/95/174989595.db2.gz ZBFNEEACKHNXAG-LLVKDONJSA-N 1 0 248.153 3.658 10 0 BHAERO COc1ccc([C@@H](C)CCC[NH3+])cc1C(C)(C)C ZINC000071571147 175176021 /nfs/dbraw/zinc/17/60/21/175176021.db2.gz VZSIWKDNJACANY-LBPRGKRZSA-N 1 0 249.398 3.835 10 0 BHAERO COc1ccc([C@H](C)CCC[NH3+])cc1C(C)(C)C ZINC000071571150 175187349 /nfs/dbraw/zinc/18/73/49/175187349.db2.gz VZSIWKDNJACANY-GFCCVEGCSA-N 1 0 249.398 3.835 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@@H](C)CCC[NH3+] ZINC000071571160 175067513 /nfs/dbraw/zinc/06/75/13/175067513.db2.gz CXLDFLIKMXIQPJ-LBPRGKRZSA-N 1 0 249.398 3.835 10 0 BHAERO COc1ccc(C(C)(C)C)cc1[C@H](C)CCC[NH3+] ZINC000071571162 175067420 /nfs/dbraw/zinc/06/74/20/175067420.db2.gz CXLDFLIKMXIQPJ-GFCCVEGCSA-N 1 0 249.398 3.835 10 0 BHAERO CC(C)[C@@H](CC[NH3+])c1ccc(OC(C)(C)C)cc1 ZINC000071571265 167389496 /nfs/dbraw/zinc/38/94/96/167389496.db2.gz UQSRDJDZHSMRTR-OAHLLOKOSA-N 1 0 249.398 3.952 10 0 BHAERO CCC[NH2+]Cc1cc(C(C)(C)C)c(OC)cc1C ZINC000071571295 169265372 /nfs/dbraw/zinc/26/53/72/169265372.db2.gz NEVOGVHCUVEQIS-UHFFFAOYSA-N 1 0 249.398 3.801 10 0 BHAERO Cc1cc([C@@H](CC[NH3+])C(C)C)ccc1OC(C)C ZINC000071571322 178234686 /nfs/dbraw/zinc/23/46/86/178234686.db2.gz KKFGHNMBVBVKCB-HNNXBMFYSA-N 1 0 249.398 3.871 10 0 BHAERO Cc1cc([C@H](CC[NH3+])C(C)C)ccc1OC(C)C ZINC000071571324 178261472 /nfs/dbraw/zinc/26/14/72/178261472.db2.gz KKFGHNMBVBVKCB-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO COc1c(C)cc(C)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071571330 174922471 /nfs/dbraw/zinc/92/24/71/174922471.db2.gz ALFLDWZGWWOOKB-AWEZNQCLSA-N 1 0 249.398 3.791 10 0 BHAERO CCC[NH2+]Cc1cc(C)cc(C(C)(C)C)c1OC ZINC000071571365 169265442 /nfs/dbraw/zinc/26/54/42/169265442.db2.gz SIRRPFYLDUMGSE-UHFFFAOYSA-N 1 0 249.398 3.801 10 0 BHAERO COc1c(CCCC[NH3+])cc(C)cc1C(C)(C)C ZINC000071571369 174928346 /nfs/dbraw/zinc/92/83/46/174928346.db2.gz BUDUPMVMQJATGF-UHFFFAOYSA-N 1 0 249.398 3.583 10 0 BHAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)c(C)c1C ZINC000071571420 175178639 /nfs/dbraw/zinc/17/86/39/175178639.db2.gz UUDXFEYAPCWTAD-AWEZNQCLSA-N 1 0 249.398 3.791 10 0 BHAERO Clc1cc(Cl)cc(CC2CC[NH2+]CC2)c1 ZINC000072187431 384198066 /nfs/dbraw/zinc/19/80/66/384198066.db2.gz RSAXHWAVEKDQFE-UHFFFAOYSA-N 1 0 244.165 3.536 10 0 BHAERO Cc1c(C)c(C)c([C@@H]2CCC[NH2+]2)c(C)c1C ZINC000072202172 343069159 /nfs/dbraw/zinc/06/91/59/343069159.db2.gz FYKPJHGBHIOBKI-AWEZNQCLSA-N 1 0 217.356 3.653 10 0 BHAERO Cc1c(C)c(C)c([C@H]2CCC[NH2+]2)c(C)c1C ZINC000072202173 343068877 /nfs/dbraw/zinc/06/88/77/343068877.db2.gz FYKPJHGBHIOBKI-CQSZACIVSA-N 1 0 217.356 3.653 10 0 BHAERO Fc1ccc(Cl)c(Cl)c1[C@@H]1CCC[NH2+]1 ZINC000072202571 384819493 /nfs/dbraw/zinc/81/94/93/384819493.db2.gz KMUPIUWOKXBNBS-QMMMGPOBSA-N 1 0 234.101 3.557 10 0 BHAERO Fc1cc(Cl)c(Cl)cc1[C@H]1CCC[NH2+]1 ZINC000072202572 180948949 /nfs/dbraw/zinc/94/89/49/180948949.db2.gz PJIQQBLUBRMPPJ-SNVBAGLBSA-N 1 0 234.101 3.557 10 0 BHAERO Fc1c(Cl)cc([C@H]2CCC[NH2+]2)cc1Cl ZINC000072202573 180946146 /nfs/dbraw/zinc/94/61/46/180946146.db2.gz OWPISKKAVJISAT-SECBINFHSA-N 1 0 234.101 3.557 10 0 BHAERO Fc1cc([C@H]2CCC[NH2+]2)c(Cl)cc1Cl ZINC000072202575 180956584 /nfs/dbraw/zinc/95/65/84/180956584.db2.gz CRUYFXMBNOTTNI-SNVBAGLBSA-N 1 0 234.101 3.557 10 0 BHAERO Fc1ccc(Cl)c(Cl)c1[C@H]1CCC[NH2+]1 ZINC000072202576 384819655 /nfs/dbraw/zinc/81/96/55/384819655.db2.gz KMUPIUWOKXBNBS-MRVPVSSYSA-N 1 0 234.101 3.557 10 0 BHAERO Fc1cc(Cl)c(Cl)cc1[C@@H]1CCC[NH2+]1 ZINC000072202577 180949246 /nfs/dbraw/zinc/94/92/46/180949246.db2.gz PJIQQBLUBRMPPJ-JTQLQIEISA-N 1 0 234.101 3.557 10 0 BHAERO Fc1cc(Cl)c(Cl)c([C@H]2CCC[NH2+]2)c1 ZINC000072202581 180948721 /nfs/dbraw/zinc/94/87/21/180948721.db2.gz CQVWCRZYZYRMHR-SECBINFHSA-N 1 0 234.101 3.557 10 0 BHAERO Clc1cccc2c1C[NH2+]C[C@H]2c1ccccc1 ZINC000072209312 526983244 /nfs/dbraw/zinc/98/32/44/526983244.db2.gz RGHDVCCFQFLKNZ-ZDUSSCGKSA-N 1 0 243.737 3.575 10 0 BHAERO Clc1cccc2c1C[NH2+]C[C@@H]2c1ccccc1 ZINC000072209313 526983789 /nfs/dbraw/zinc/98/37/89/526983789.db2.gz RGHDVCCFQFLKNZ-CYBMUJFWSA-N 1 0 243.737 3.575 10 0 BHAERO Clc1ccc2c(c1)[C@H](c1ccccc1)C[NH2+]C2 ZINC000072209314 526967444 /nfs/dbraw/zinc/96/74/44/526967444.db2.gz BENWWVTYRPSRBL-HNNXBMFYSA-N 1 0 243.737 3.575 10 0 BHAERO Clc1ccc2c(c1)[C@@H](c1ccccc1)C[NH2+]C2 ZINC000072209315 526968159 /nfs/dbraw/zinc/96/81/59/526968159.db2.gz BENWWVTYRPSRBL-OAHLLOKOSA-N 1 0 243.737 3.575 10 0 BHAERO c1ccc2nc(C[NH+]3CCCCCC3)ccc2c1 ZINC000072815811 135389777 /nfs/dbraw/zinc/38/97/77/135389777.db2.gz OLYFIQSXAUMRRV-UHFFFAOYSA-N 1 0 240.350 3.611 10 0 BHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000072817339 325177262 /nfs/dbraw/zinc/17/72/62/325177262.db2.gz BYJLHUBLIVHRAV-CYBMUJFWSA-N 1 0 240.350 3.609 10 0 BHAERO C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000072817340 325177182 /nfs/dbraw/zinc/17/71/82/325177182.db2.gz BYJLHUBLIVHRAV-ZDUSSCGKSA-N 1 0 240.350 3.609 10 0 BHAERO CCCC[N@H+](CC)Cc1ccc2ccccc2n1 ZINC000072949984 325183228 /nfs/dbraw/zinc/18/32/28/325183228.db2.gz WESJNQXOKWOSBL-UHFFFAOYSA-N 1 0 242.366 3.857 10 0 BHAERO Cc1cccc(NC2=[NH+]CCCCC2)c1C ZINC000073733631 188115339 /nfs/dbraw/zinc/11/53/39/188115339.db2.gz BXZUPJNTPYRYIX-UHFFFAOYSA-N 1 0 216.328 3.688 10 0 BHAERO C[NH2+]Cc1cc2occc2c(OCC(C)(C)C)c1 ZINC000073739396 173386587 /nfs/dbraw/zinc/38/65/87/173386587.db2.gz MIDVPSQOAQYUKS-UHFFFAOYSA-N 1 0 247.338 3.577 10 0 BHAERO CC(C)CC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000074350924 369965888 /nfs/dbraw/zinc/96/58/88/369965888.db2.gz GNRKRIYQHUPFDF-UHFFFAOYSA-N 1 0 242.366 3.713 10 0 BHAERO CCC[NH2+]CCc1cn(CCC)c2ccccc12 ZINC000075422903 169261244 /nfs/dbraw/zinc/26/12/44/169261244.db2.gz ZAZCICKHVHZLCJ-UHFFFAOYSA-N 1 0 244.382 3.593 10 0 BHAERO [NH3+]CCc1sc2cc(Cl)ccc2c1Cl ZINC000075422974 181414848 /nfs/dbraw/zinc/41/48/48/181414848.db2.gz KUTXWZGJQMOUDF-UHFFFAOYSA-N 1 0 246.162 3.709 10 0 BHAERO Cc1ccc(C[C@@H]([NH3+])CCc2cccs2)cc1 ZINC000075819146 178646849 /nfs/dbraw/zinc/64/68/49/178646849.db2.gz RAYRDPZAASDHJE-AWEZNQCLSA-N 1 0 245.391 3.559 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F ZINC000075854014 187444126 /nfs/dbraw/zinc/44/41/26/187444126.db2.gz MRBSLIWVWLDABQ-JTQLQIEISA-N 1 0 235.224 3.500 10 0 BHAERO CC(C)[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000075854092 188133664 /nfs/dbraw/zinc/13/36/64/188133664.db2.gz SRAFPJYRDMKDIS-JTQLQIEISA-N 1 0 218.127 3.649 10 0 BHAERO Cc1ccc2sc([C@H]3CCCCC[NH2+]3)nc2c1 ZINC000075868770 178991366 /nfs/dbraw/zinc/99/13/66/178991366.db2.gz ZPMDUELQQWXLLK-LLVKDONJSA-N 1 0 246.379 3.809 10 0 BHAERO Cc1cccc2sc([C@@H]3CCCCC[NH2+]3)nc21 ZINC000075868785 179233995 /nfs/dbraw/zinc/23/39/95/179233995.db2.gz KHLRRCYAJLIUSC-NSHDSACASA-N 1 0 246.379 3.809 10 0 BHAERO Cc1cccc2sc([C@H]3CCCCC[NH2+]3)nc21 ZINC000075868786 179233759 /nfs/dbraw/zinc/23/37/59/179233759.db2.gz KHLRRCYAJLIUSC-LLVKDONJSA-N 1 0 246.379 3.809 10 0 BHAERO CC(C)(C)C1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000075905239 538109428 /nfs/dbraw/zinc/10/94/28/538109428.db2.gz YKDSSUGAKCCOIN-ROKHWSDSSA-N 1 0 223.404 3.839 10 0 BHAERO CC(C)(C)C1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000075905241 537930865 /nfs/dbraw/zinc/93/08/65/537930865.db2.gz YKDSSUGAKCCOIN-MOKVOYLWSA-N 1 0 223.404 3.839 10 0 BHAERO CCc1cccc2c([C@@H](C)[C@H]([NH3+])CC)c[nH]c21 ZINC000076031516 343074471 /nfs/dbraw/zinc/07/44/71/343074471.db2.gz PSWUDBBNELXKPR-QMTHXVAHSA-N 1 0 230.355 3.571 10 0 BHAERO CCc1cccc2c([C@H](C)[C@H]([NH3+])CC)c[nH]c21 ZINC000076031519 343074458 /nfs/dbraw/zinc/07/44/58/343074458.db2.gz PSWUDBBNELXKPR-IINYFYTJSA-N 1 0 230.355 3.571 10 0 BHAERO CCc1cccc2c([C@@H](C)[C@@H]([NH3+])CC)c[nH]c21 ZINC000076031522 343074439 /nfs/dbraw/zinc/07/44/39/343074439.db2.gz PSWUDBBNELXKPR-YGRLFVJLSA-N 1 0 230.355 3.571 10 0 BHAERO CCc1cccc2c([C@H](C)[C@@H]([NH3+])CC)c[nH]c21 ZINC000076031525 343074590 /nfs/dbraw/zinc/07/45/90/343074590.db2.gz PSWUDBBNELXKPR-HZMBPMFUSA-N 1 0 230.355 3.571 10 0 BHAERO Cc1[nH+]c2c(n1C1CCCCC1)CCCC2 ZINC000076090251 180072221 /nfs/dbraw/zinc/07/22/21/180072221.db2.gz UNOVNKZKDAATBT-UHFFFAOYSA-N 1 0 218.344 3.576 10 0 BHAERO CCCOc1ccc(CCC[NH2+]CC(C)C)cc1 ZINC000076289895 169317710 /nfs/dbraw/zinc/31/77/10/169317710.db2.gz LNVLAPSGQYKVAO-UHFFFAOYSA-N 1 0 249.398 3.654 10 0 BHAERO CC(C)C[NH2+]CCCc1cccc(OC(C)C)c1 ZINC000076290012 167005247 /nfs/dbraw/zinc/00/52/47/167005247.db2.gz PDGUGGSUHDLGDZ-UHFFFAOYSA-N 1 0 249.398 3.652 10 0 BHAERO CCCOc1ccccc1CCC[NH2+]CC(C)C ZINC000076290132 169327072 /nfs/dbraw/zinc/32/70/72/169327072.db2.gz WRCFMTJAFBHOHD-UHFFFAOYSA-N 1 0 249.398 3.654 10 0 BHAERO CC(C)C[NH2+]CCCc1ccccc1OC(C)C ZINC000076290252 167004386 /nfs/dbraw/zinc/00/43/86/167004386.db2.gz YKWGYUXFZILBKP-UHFFFAOYSA-N 1 0 249.398 3.652 10 0 BHAERO CCSc1ccc([C@H](CC)CC[NH3+])cc1 ZINC000076611561 170655264 /nfs/dbraw/zinc/65/52/64/170655264.db2.gz DEWRBNZLWGPRSK-LLVKDONJSA-N 1 0 223.385 3.641 10 0 BHAERO CCCCc1ccc([C@@H](C[NH3+])C2CCC2)cc1 ZINC000076614785 169022111 /nfs/dbraw/zinc/02/21/11/169022111.db2.gz MRZCGFMZMLBMNZ-INIZCTEOSA-N 1 0 231.383 3.872 10 0 BHAERO CCCCc1ccc([C@H](C[NH3+])C2CCC2)cc1 ZINC000076614787 169023740 /nfs/dbraw/zinc/02/37/40/169023740.db2.gz MRZCGFMZMLBMNZ-MRXNPFEDSA-N 1 0 231.383 3.872 10 0 BHAERO CCCc1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076614818 169573849 /nfs/dbraw/zinc/57/38/49/169573849.db2.gz XLPXPYNKWHQOPO-INIZCTEOSA-N 1 0 231.383 3.872 10 0 BHAERO CCCc1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076614820 169575621 /nfs/dbraw/zinc/57/56/21/169575621.db2.gz XLPXPYNKWHQOPO-MRXNPFEDSA-N 1 0 231.383 3.872 10 0 BHAERO CCCOc1ccc([C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000076618345 169321095 /nfs/dbraw/zinc/32/10/95/169321095.db2.gz QUMRZTWIJNNXAA-CQSZACIVSA-N 1 0 235.371 3.564 10 0 BHAERO CCCOc1ccc([C@H](C[NH3+])C(C)(C)C)cc1 ZINC000076618347 169322668 /nfs/dbraw/zinc/32/26/68/169322668.db2.gz QUMRZTWIJNNXAA-AWEZNQCLSA-N 1 0 235.371 3.564 10 0 BHAERO CC[C@@H](CC[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000076618424 170816049 /nfs/dbraw/zinc/81/60/49/170816049.db2.gz CKVXAFDOOQTEON-LBPRGKRZSA-N 1 0 235.371 3.661 10 0 BHAERO CC[C@@H](CC[NH3+])c1ccc(OC(C)(C)C)cc1 ZINC000076618429 170816000 /nfs/dbraw/zinc/81/60/00/170816000.db2.gz RMHVQDBOJBKMEW-LBPRGKRZSA-N 1 0 235.371 3.706 10 0 BHAERO CC[C@H](CC[NH3+])c1ccc(OC(C)C)c(C)c1 ZINC000076618439 171423660 /nfs/dbraw/zinc/42/36/60/171423660.db2.gz OLLFEOHXKHVKNX-CYBMUJFWSA-N 1 0 235.371 3.625 10 0 BHAERO CC[C@@H](CC[NH3+])c1ccc(C(C)C)cc1OC ZINC000076618448 170816180 /nfs/dbraw/zinc/81/61/80/170816180.db2.gz YIHRQHCNVGVHMR-LBPRGKRZSA-N 1 0 235.371 3.661 10 0 BHAERO CSc1ccc([C@H](CC[NH3+])CC(C)C)cc1 ZINC000076620198 175578215 /nfs/dbraw/zinc/57/82/15/175578215.db2.gz YSLVRAFDHOMUGP-CYBMUJFWSA-N 1 0 237.412 3.887 10 0 BHAERO Cc1ccccc1CC[C@@H](C[NH3+])c1ccccc1 ZINC000076621458 179267525 /nfs/dbraw/zinc/26/75/25/179267525.db2.gz DDNSZYXCTKKDJN-KRWDZBQOSA-N 1 0 239.362 3.670 10 0 BHAERO Cc1ccccc1CC[C@H](C[NH3+])c1ccccc1 ZINC000076621462 179267171 /nfs/dbraw/zinc/26/71/71/179267171.db2.gz DDNSZYXCTKKDJN-QGZVFWFLSA-N 1 0 239.362 3.670 10 0 BHAERO Cc1cccc(CC[C@@H](C[NH3+])c2ccccc2)c1 ZINC000076621465 179062016 /nfs/dbraw/zinc/06/20/16/179062016.db2.gz YICCBUNDODSFSF-KRWDZBQOSA-N 1 0 239.362 3.670 10 0 BHAERO Cc1cccc(CC[C@H](C[NH3+])c2ccccc2)c1 ZINC000076621469 179062094 /nfs/dbraw/zinc/06/20/94/179062094.db2.gz YICCBUNDODSFSF-QGZVFWFLSA-N 1 0 239.362 3.670 10 0 BHAERO Cc1ccc(CC[C@H](C[NH3+])c2ccccc2)cc1 ZINC000076621481 518188745 /nfs/dbraw/zinc/18/87/45/518188745.db2.gz BXTMJGAOMVJKSV-QGZVFWFLSA-N 1 0 239.362 3.670 10 0 BHAERO [NH3+]C[C@@H](CCc1ccccc1F)c1ccccc1 ZINC000076625681 181418089 /nfs/dbraw/zinc/41/80/89/181418089.db2.gz BWBMGKBTJLGJCS-OAHLLOKOSA-N 1 0 243.325 3.501 10 0 BHAERO [NH3+]C[C@H](CCc1cccc(F)c1)c1ccccc1 ZINC000076625683 181443211 /nfs/dbraw/zinc/44/32/11/181443211.db2.gz JKXBWHBRDBUUGI-HNNXBMFYSA-N 1 0 243.325 3.501 10 0 BHAERO [NH3+]C[C@@H](CCc1ccc(F)cc1)c1ccccc1 ZINC000076625692 181417824 /nfs/dbraw/zinc/41/78/24/181417824.db2.gz PYJYGIMVTFJAAU-OAHLLOKOSA-N 1 0 243.325 3.501 10 0 BHAERO [NH3+]CC[C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000076625800 368241193 /nfs/dbraw/zinc/24/11/93/368241193.db2.gz ZKJBFGISLLNDGE-OAHLLOKOSA-N 1 0 243.325 3.501 10 0 BHAERO [NH3+]CC[C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000076625804 368240697 /nfs/dbraw/zinc/24/06/97/368240697.db2.gz ZKJBFGISLLNDGE-HNNXBMFYSA-N 1 0 243.325 3.501 10 0 BHAERO CCc1ccc([C@@H](C[NH3+])CCc2ccco2)cc1 ZINC000076626010 517850057 /nfs/dbraw/zinc/85/00/57/517850057.db2.gz DTOBAOXZLXQMGG-OAHLLOKOSA-N 1 0 243.350 3.517 10 0 BHAERO CCCCc1ccc([C@@H](C[NH3+])c2ccco2)cc1 ZINC000076626047 169022529 /nfs/dbraw/zinc/02/25/29/169022529.db2.gz BONSBNPCHZJALD-OAHLLOKOSA-N 1 0 243.350 3.713 10 0 BHAERO CCCCc1ccc([C@H](C[NH3+])c2ccco2)cc1 ZINC000076626051 169022716 /nfs/dbraw/zinc/02/27/16/169022716.db2.gz BONSBNPCHZJALD-HNNXBMFYSA-N 1 0 243.350 3.713 10 0 BHAERO Cc1ccc([C@H](CC[NH3+])CCc2ccco2)cc1 ZINC000076626096 178902209 /nfs/dbraw/zinc/90/22/09/178902209.db2.gz ODTSYMYSTHATDD-HNNXBMFYSA-N 1 0 243.350 3.653 10 0 BHAERO CCCc1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000076626115 169575336 /nfs/dbraw/zinc/57/53/36/169575336.db2.gz YVCDVNSNEYUVPD-HNNXBMFYSA-N 1 0 243.350 3.713 10 0 BHAERO Cc1ccccc1[C@H](CC[NH3+])CCc1ccco1 ZINC000076626134 179340199 /nfs/dbraw/zinc/34/01/99/179340199.db2.gz LXODDFDFAXMYEI-AWEZNQCLSA-N 1 0 243.350 3.653 10 0 BHAERO Cc1cccc([C@H](CC[NH3+])CCc2ccco2)c1 ZINC000076626144 179198417 /nfs/dbraw/zinc/19/84/17/179198417.db2.gz JZVNVHIGOWWADI-AWEZNQCLSA-N 1 0 243.350 3.653 10 0 BHAERO [NH3+]C[C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000076626370 181426505 /nfs/dbraw/zinc/42/65/05/181426505.db2.gz JYCKQKDFCXTTKB-ZETCQYMHSA-N 1 0 243.784 3.554 10 0 BHAERO [NH3+]CC[C@H](CCc1ccccc1)c1cccs1 ZINC000076630116 181407047 /nfs/dbraw/zinc/40/70/47/181407047.db2.gz HWFWDJNXNJQMHK-AWEZNQCLSA-N 1 0 245.391 3.813 10 0 BHAERO CC(C)COc1ccc([C@H](C[NH3+])C2CCC2)cc1 ZINC000076632882 517424384 /nfs/dbraw/zinc/42/43/84/517424384.db2.gz JFCDZPUKDYUQSD-MRXNPFEDSA-N 1 0 247.382 3.564 10 0 BHAERO CC[C@@H](CC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000076632937 170815901 /nfs/dbraw/zinc/81/59/01/170815901.db2.gz HXPQCRWKOCMPJG-ZDUSSCGKSA-N 1 0 247.382 3.850 10 0 BHAERO CCOc1ccc([C@@H](CC[NH3+])C2CCC2)cc1C ZINC000076632949 170558220 /nfs/dbraw/zinc/55/82/20/170558220.db2.gz KDQQSAFVRABFIW-HNNXBMFYSA-N 1 0 247.382 3.626 10 0 BHAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076632955 167299389 /nfs/dbraw/zinc/29/93/89/167299389.db2.gz AWPNCMHDNYCPSH-INIZCTEOSA-N 1 0 247.382 3.706 10 0 BHAERO CC(C)Oc1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076632957 167300691 /nfs/dbraw/zinc/30/06/91/167300691.db2.gz AWPNCMHDNYCPSH-MRXNPFEDSA-N 1 0 247.382 3.706 10 0 BHAERO Cc1cc([C@@H](CC[NH3+])CC(C)C)c(C)n1C1CC1 ZINC000076634952 178233898 /nfs/dbraw/zinc/23/38/98/178233898.db2.gz JQLCGFWFRWQDKE-AWEZNQCLSA-N 1 0 248.414 3.918 10 0 BHAERO Cc1cc([C@H](CC[NH3+])CC(C)C)c(C)n1C1CC1 ZINC000076634953 178261006 /nfs/dbraw/zinc/26/10/06/178261006.db2.gz JQLCGFWFRWQDKE-CQSZACIVSA-N 1 0 248.414 3.918 10 0 BHAERO Cc1cccc(C(C)C)c1N(CC[NH3+])CC(C)C ZINC000076634982 179028135 /nfs/dbraw/zinc/02/81/35/179028135.db2.gz RHMGHBSKBZUQRJ-UHFFFAOYSA-N 1 0 248.414 3.540 10 0 BHAERO CC(C)COc1ccc([C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000076653646 188135767 /nfs/dbraw/zinc/13/57/67/188135767.db2.gz FVFUARZBINVBJV-OAHLLOKOSA-N 1 0 249.398 3.810 10 0 BHAERO CC(C)COc1ccc([C@H](C[NH3+])C(C)(C)C)cc1 ZINC000076653649 188311406 /nfs/dbraw/zinc/31/14/06/188311406.db2.gz FVFUARZBINVBJV-HNNXBMFYSA-N 1 0 249.398 3.810 10 0 BHAERO Cc1cc([C@H](C[NH3+])CC(C)C)ccc1OC(C)C ZINC000076653661 178261246 /nfs/dbraw/zinc/26/12/46/178261246.db2.gz BUBWEZBNJVRNHU-HNNXBMFYSA-N 1 0 249.398 3.871 10 0 BHAERO Cc1cc([C@@H](C[NH3+])CC(C)C)ccc1OC(C)C ZINC000076653663 178235321 /nfs/dbraw/zinc/23/53/21/178235321.db2.gz BUBWEZBNJVRNHU-OAHLLOKOSA-N 1 0 249.398 3.871 10 0 BHAERO COc1cc(C(C)C)ccc1[C@H](C[NH3+])CC(C)C ZINC000076653684 174951144 /nfs/dbraw/zinc/95/11/44/174951144.db2.gz RKZWOCFMXBCCFZ-AWEZNQCLSA-N 1 0 249.398 3.907 10 0 BHAERO CC[C@@H](CC[NH3+])c1cc(C(C)C)c(OC)cc1C ZINC000076653717 170816241 /nfs/dbraw/zinc/81/62/41/170816241.db2.gz GHWTWCBUEXZMBB-ZDUSSCGKSA-N 1 0 249.398 3.969 10 0 BHAERO CCOc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1C ZINC000076653733 170562836 /nfs/dbraw/zinc/56/28/36/170562836.db2.gz KTUXDQQRYYUYQN-AWEZNQCLSA-N 1 0 249.398 3.872 10 0 BHAERO COc1c(C)cc(C)cc1[C@H](CC[NH3+])CC(C)C ZINC000076653738 174922299 /nfs/dbraw/zinc/92/22/99/174922299.db2.gz ADCRVRCOJVWFKT-CQSZACIVSA-N 1 0 249.398 3.791 10 0 BHAERO COc1ccc([C@@H](CC[NH3+])CC(C)C)c(C)c1C ZINC000076653745 175178734 /nfs/dbraw/zinc/17/87/34/175178734.db2.gz RRZODZATPPDJPU-AWEZNQCLSA-N 1 0 249.398 3.791 10 0 BHAERO COc1ccc([C@H](CC[NH3+])CC(C)C)c(C)c1C ZINC000076653747 187791898 /nfs/dbraw/zinc/79/18/98/187791898.db2.gz RRZODZATPPDJPU-CQSZACIVSA-N 1 0 249.398 3.791 10 0 BHAERO CC(C)(C)c1ccc([C@H]2[C@@H](C[NH3+])C2(C)C)cc1 ZINC000076678717 188310884 /nfs/dbraw/zinc/31/08/84/188310884.db2.gz ZIMDCUMMMFZDOU-KGLIPLIRSA-N 1 0 231.383 3.682 10 0 BHAERO Fc1cc(C[C@H]2CCCCC[NH2+]2)ccc1Cl ZINC000076686521 180947215 /nfs/dbraw/zinc/94/72/15/180947215.db2.gz ZHUQSFLWBJHLQU-LLVKDONJSA-N 1 0 241.737 3.554 10 0 BHAERO c1cc(C[NH2+]C2CCCCCC2)cc2c1CCC2 ZINC000076687925 183367831 /nfs/dbraw/zinc/36/78/31/183367831.db2.gz OGAANDLARVMDIE-UHFFFAOYSA-N 1 0 243.394 3.988 10 0 BHAERO Cc1ccc(C(C)C)c(O[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000076691998 178452173 /nfs/dbraw/zinc/45/21/73/178452173.db2.gz MHNROEKWDMAZOJ-UONOGXRCSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(C)C ZINC000076692028 178213459 /nfs/dbraw/zinc/21/34/59/178213459.db2.gz ZNXPRYZGADFJIN-UONOGXRCSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@H]2CCC[C@H]([NH3+])C2)ccc1C(C)C ZINC000076692031 178214591 /nfs/dbraw/zinc/21/45/91/178214591.db2.gz ZNXPRYZGADFJIN-KBPBESRZSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C(C)C ZINC000076692034 178213149 /nfs/dbraw/zinc/21/31/49/178213149.db2.gz ZNXPRYZGADFJIN-ZIAGYGMSSA-N 1 0 247.382 3.767 10 0 BHAERO Cc1cc(O[C@H]2CCC[C@@H]([NH3+])C2)ccc1C(C)C ZINC000076692037 178214109 /nfs/dbraw/zinc/21/41/09/178214109.db2.gz ZNXPRYZGADFJIN-KGLIPLIRSA-N 1 0 247.382 3.767 10 0 BHAERO CCC[NH2+]CCc1csc(C(CC)CC)n1 ZINC000076783435 169261683 /nfs/dbraw/zinc/26/16/83/169261683.db2.gz XSFQESCODNNFKF-UHFFFAOYSA-N 1 0 240.416 3.589 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(-c2cccc(C)c2)n1 ZINC000076784471 170143181 /nfs/dbraw/zinc/14/31/81/170143181.db2.gz GQZZDEQAAJSCGT-NSHDSACASA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+][C@H](C)c1csc(-c2cccc(C)c2)n1 ZINC000076784473 170160297 /nfs/dbraw/zinc/16/02/97/170160297.db2.gz GQZZDEQAAJSCGT-LLVKDONJSA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(-c2ccccc2C)n1 ZINC000076784481 170142617 /nfs/dbraw/zinc/14/26/17/170142617.db2.gz KDTQUXBIIFIYRX-NSHDSACASA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+][C@H](C)c1csc(-c2ccccc2C)n1 ZINC000076784484 170160304 /nfs/dbraw/zinc/16/03/04/170160304.db2.gz KDTQUXBIIFIYRX-LLVKDONJSA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(C)cc2)n1 ZINC000076784486 170142851 /nfs/dbraw/zinc/14/28/51/170142851.db2.gz DECGPGIVRNUBLU-NSHDSACASA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+][C@H](C)c1csc(-c2ccc(C)cc2)n1 ZINC000076784488 170159950 /nfs/dbraw/zinc/15/99/50/170159950.db2.gz DECGPGIVRNUBLU-LLVKDONJSA-N 1 0 246.379 3.789 10 0 BHAERO CC[NH2+]Cc1oc2ccccc2c1C(C)C ZINC000077068051 170131673 /nfs/dbraw/zinc/13/16/73/170131673.db2.gz RMGABLMCGIWSHY-UHFFFAOYSA-N 1 0 217.312 3.666 10 0 BHAERO CCC[NH2+]Cc1oc2ccccc2c1CCC ZINC000077068127 169269141 /nfs/dbraw/zinc/26/91/41/169269141.db2.gz CIGLPRAZZCQTMW-UHFFFAOYSA-N 1 0 231.339 3.885 10 0 BHAERO CC[NH2+]Cc1oc2ccccc2c1C(C)(C)C ZINC000077068199 170131346 /nfs/dbraw/zinc/13/13/46/170131346.db2.gz PXOFMKLPOVUHMW-UHFFFAOYSA-N 1 0 231.339 3.840 10 0 BHAERO CC(C)[NH2+]Cc1oc2ccccc2c1C1CC1 ZINC000077068301 167124577 /nfs/dbraw/zinc/12/45/77/167124577.db2.gz HOXCAUZKZVEZEL-UHFFFAOYSA-N 1 0 229.323 3.808 10 0 BHAERO CCC[NH2+]Cc1oc2ccccc2c1C1CC1 ZINC000077068302 169269464 /nfs/dbraw/zinc/26/94/64/169269464.db2.gz CILGZYCVVDVIEJ-UHFFFAOYSA-N 1 0 229.323 3.810 10 0 BHAERO Cc1c2cccc(C)c2oc1C[NH2+]C(C)C ZINC000077068490 177588743 /nfs/dbraw/zinc/58/87/43/177588743.db2.gz IFAVVRGRXXWGJY-UHFFFAOYSA-N 1 0 217.312 3.548 10 0 BHAERO CCC[NH2+]Cc1oc2c(cccc2C)c1C ZINC000077068491 169269855 /nfs/dbraw/zinc/26/98/55/169269855.db2.gz QTRVTQOJTXLSAG-UHFFFAOYSA-N 1 0 217.312 3.549 10 0 BHAERO CCC[NH2+]Cc1oc2c(cccc2C)c1CC ZINC000077068580 169269130 /nfs/dbraw/zinc/26/91/30/169269130.db2.gz ZFUBMHSRROTUOE-UHFFFAOYSA-N 1 0 231.339 3.803 10 0 BHAERO C[NH2+]Cc1oc2c(cccc2C)c1C(C)C ZINC000077068651 173399854 /nfs/dbraw/zinc/39/98/54/173399854.db2.gz YHUFZZWVUNNEGA-UHFFFAOYSA-N 1 0 217.312 3.584 10 0 BHAERO CC[NH2+]Cc1oc2c(cccc2C)c1C(C)C ZINC000077068652 170131486 /nfs/dbraw/zinc/13/14/86/170131486.db2.gz OSGGUMAOQRJEQE-UHFFFAOYSA-N 1 0 231.339 3.974 10 0 BHAERO CC[NH2+]Cc1oc2c(cccc2C)c1C1CC1 ZINC000077068811 170131605 /nfs/dbraw/zinc/13/16/05/170131605.db2.gz KOLCQUPGXVSNHR-UHFFFAOYSA-N 1 0 229.323 3.728 10 0 BHAERO Cc1cccc2c1oc(C[NH2+]C1CC1)c2C1CC1 ZINC000077068814 179209289 /nfs/dbraw/zinc/20/92/89/179209289.db2.gz XTWQTTBQVCFEPT-UHFFFAOYSA-N 1 0 241.334 3.871 10 0 BHAERO C[NH2+]Cc1oc2c(cccc2Cl)c1C1CC1 ZINC000077069042 173399737 /nfs/dbraw/zinc/39/97/37/173399737.db2.gz AUYYPOFSAPBJHG-UHFFFAOYSA-N 1 0 235.714 3.683 10 0 BHAERO CC[NH2+]Cc1oc2c(cccc2Cl)c1CC ZINC000077069084 170132032 /nfs/dbraw/zinc/13/20/32/170132032.db2.gz BNLYUXIGYVVQJY-UHFFFAOYSA-N 1 0 237.730 3.758 10 0 BHAERO CC[NH2+]Cc1oc2c(cccc2Cl)c1C ZINC000077069132 170132016 /nfs/dbraw/zinc/13/20/16/170132016.db2.gz ZHTLJCBYEOCQIJ-UHFFFAOYSA-N 1 0 223.703 3.504 10 0 BHAERO CCC[NH2+]Cc1oc2c(cccc2Cl)c1C ZINC000077069134 169269672 /nfs/dbraw/zinc/26/96/72/169269672.db2.gz BWVZSWKSBWPRIF-UHFFFAOYSA-N 1 0 237.730 3.894 10 0 BHAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1C ZINC000077069291 169269398 /nfs/dbraw/zinc/26/93/98/169269398.db2.gz CTSGSYPAYCLYHL-UHFFFAOYSA-N 1 0 217.312 3.549 10 0 BHAERO CCc1c2cc(C)ccc2oc1C[NH2+]C(C)C ZINC000077069356 171743165 /nfs/dbraw/zinc/74/31/65/171743165.db2.gz IFULZQWRAFXXTN-UHFFFAOYSA-N 1 0 231.339 3.802 10 0 BHAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1CC ZINC000077069357 169269714 /nfs/dbraw/zinc/26/97/14/169269714.db2.gz YECUEMUDIFUCBU-UHFFFAOYSA-N 1 0 231.339 3.803 10 0 BHAERO CCCc1c2cc(C)ccc2oc1C[NH2+]CC ZINC000077069427 169561418 /nfs/dbraw/zinc/56/14/18/169561418.db2.gz LWMAIRZPDFXOBQ-UHFFFAOYSA-N 1 0 231.339 3.803 10 0 BHAERO CC[NH2+]Cc1oc2ccc(C)cc2c1C(C)C ZINC000077069483 170131284 /nfs/dbraw/zinc/13/12/84/170131284.db2.gz KOAPPHDEWUZGDP-UHFFFAOYSA-N 1 0 231.339 3.974 10 0 BHAERO CC[NH2+]Cc1oc2ccc(C)cc2c1C1CC1 ZINC000077069538 170132224 /nfs/dbraw/zinc/13/22/24/170132224.db2.gz PPIJWBVQWCYGOI-UHFFFAOYSA-N 1 0 229.323 3.728 10 0 BHAERO C[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)C ZINC000077069722 173399775 /nfs/dbraw/zinc/39/97/75/173399775.db2.gz NVNURMNOFBNKII-UHFFFAOYSA-N 1 0 237.730 3.929 10 0 BHAERO CC[NH2+]Cc1oc2ccc(Cl)cc2c1CC ZINC000077069761 170132134 /nfs/dbraw/zinc/13/21/34/170132134.db2.gz SPRHOHGGEZOUBW-UHFFFAOYSA-N 1 0 237.730 3.758 10 0 BHAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1C ZINC000077069806 169269363 /nfs/dbraw/zinc/26/93/63/169269363.db2.gz JPPQXNQDTRNYAX-UHFFFAOYSA-N 1 0 237.730 3.894 10 0 BHAERO C[NH2+]Cc1oc2ccc(Cl)cc2c1C1CC1 ZINC000077069848 173399873 /nfs/dbraw/zinc/39/98/73/173399873.db2.gz HTFJXUINKVZXGM-UHFFFAOYSA-N 1 0 235.714 3.683 10 0 BHAERO CC(C)[NH2+]Cc1cc2cc(Cl)ccc2o1 ZINC000077070016 167116304 /nfs/dbraw/zinc/11/63/04/167116304.db2.gz RSANCHROYAWVLJ-UHFFFAOYSA-N 1 0 223.703 3.584 10 0 BHAERO CCC[NH2+]Cc1cc2cc(Cl)ccc2o1 ZINC000077070017 169266565 /nfs/dbraw/zinc/26/65/65/169266565.db2.gz PHTWVNZPOXRKBW-UHFFFAOYSA-N 1 0 223.703 3.586 10 0 BHAERO CC(C)C[NH2+]Cc1cc2cc(Cl)ccc2o1 ZINC000077070020 167007738 /nfs/dbraw/zinc/00/77/38/167007738.db2.gz DBUHDMYGRFALOI-UHFFFAOYSA-N 1 0 237.730 3.832 10 0 BHAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1C ZINC000077070062 169270007 /nfs/dbraw/zinc/27/00/07/169270007.db2.gz OQEOLBGMSCUSIG-UHFFFAOYSA-N 1 0 231.339 3.858 10 0 BHAERO CC[NH2+]Cc1oc2c(ccc(C)c2C)c1CC ZINC000077070132 170132200 /nfs/dbraw/zinc/13/22/00/170132200.db2.gz MTDYDASALAERLB-UHFFFAOYSA-N 1 0 231.339 3.722 10 0 BHAERO C[NH2+]Cc1oc2c(ccc(C)c2C)c1C(C)C ZINC000077070189 173399796 /nfs/dbraw/zinc/39/97/96/173399796.db2.gz ZXYZTMRPZMXKEB-UHFFFAOYSA-N 1 0 231.339 3.892 10 0 BHAERO C[NH2+]Cc1oc2c(ccc(C)c2C)c1C1CC1 ZINC000077070265 173399900 /nfs/dbraw/zinc/39/99/00/173399900.db2.gz FCINICWPFOOBIQ-UHFFFAOYSA-N 1 0 229.323 3.646 10 0 BHAERO CCC[NH2+]Cc1oc2ccc(CC)cc2c1C ZINC000077070426 169269053 /nfs/dbraw/zinc/26/90/53/169269053.db2.gz PAYORFWRMILULM-UHFFFAOYSA-N 1 0 231.339 3.803 10 0 BHAERO CCc1ccc2oc(C[NH2+]C3CC3)c(C)c2c1 ZINC000077070427 171852239 /nfs/dbraw/zinc/85/22/39/171852239.db2.gz KVJUIDWNPPEION-UHFFFAOYSA-N 1 0 229.323 3.556 10 0 BHAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1CC ZINC000077070492 170132036 /nfs/dbraw/zinc/13/20/36/170132036.db2.gz BZNCSZQSUYIHLF-UHFFFAOYSA-N 1 0 231.339 3.667 10 0 BHAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1C1CC1 ZINC000077070633 170132234 /nfs/dbraw/zinc/13/22/34/170132234.db2.gz REPBGLVORHEZSK-UHFFFAOYSA-N 1 0 243.350 3.982 10 0 BHAERO CCC[NH2+]Cc1oc2c(cc(C)cc2C)c1C ZINC000077070788 169268760 /nfs/dbraw/zinc/26/87/60/169268760.db2.gz GIRPDUSVYWUHEV-UHFFFAOYSA-N 1 0 231.339 3.858 10 0 BHAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1CC ZINC000077070855 170132046 /nfs/dbraw/zinc/13/20/46/170132046.db2.gz AXKGXDSBSPOXMN-UHFFFAOYSA-N 1 0 231.339 3.722 10 0 BHAERO C[NH2+]Cc1oc2c(cc(C)cc2C)c1C(C)C ZINC000077070910 173399703 /nfs/dbraw/zinc/39/97/03/173399703.db2.gz ORMGRELVZPHCTL-UHFFFAOYSA-N 1 0 231.339 3.892 10 0 BHAERO C[NH2+]Cc1oc2c(cc(C)cc2C)c1C1CC1 ZINC000077070992 173399687 /nfs/dbraw/zinc/39/96/87/173399687.db2.gz XEZOTWUMTBNEAJ-UHFFFAOYSA-N 1 0 229.323 3.646 10 0 BHAERO Cc1c(C[NH2+]C(C)C)oc2cc(C)cc(C)c12 ZINC000077071141 177878378 /nfs/dbraw/zinc/87/83/78/177878378.db2.gz RFLQRKDYLJBGHF-UHFFFAOYSA-N 1 0 231.339 3.856 10 0 BHAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1C ZINC000077071142 169269290 /nfs/dbraw/zinc/26/92/90/169269290.db2.gz FUJINEVXAIQFSM-UHFFFAOYSA-N 1 0 231.339 3.858 10 0 BHAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1CC ZINC000077071213 170131812 /nfs/dbraw/zinc/13/18/12/170131812.db2.gz KVGFRPRLTRRWSG-UHFFFAOYSA-N 1 0 231.339 3.722 10 0 BHAERO C[NH2+]Cc1oc2cc(C)cc(C)c2c1C(C)C ZINC000077071272 173399541 /nfs/dbraw/zinc/39/95/41/173399541.db2.gz XOJCSPLKJVFRMS-UHFFFAOYSA-N 1 0 231.339 3.892 10 0 BHAERO C[NH2+]Cc1oc2cc(C)cc(C)c2c1C1CC1 ZINC000077071362 173399847 /nfs/dbraw/zinc/39/98/47/173399847.db2.gz FXRTUBIIEKPQCL-UHFFFAOYSA-N 1 0 229.323 3.646 10 0 BHAERO C[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C ZINC000077071518 173399800 /nfs/dbraw/zinc/39/98/00/173399800.db2.gz CBWILHHTZXIRSO-UHFFFAOYSA-N 1 0 237.730 3.731 10 0 BHAERO C[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C ZINC000077071846 173399417 /nfs/dbraw/zinc/39/94/17/173399417.db2.gz GCSPXECZBRKBLN-UHFFFAOYSA-N 1 0 244.121 3.767 10 0 BHAERO C[NH2+]Cc1oc2c(ccc3ccccc23)c1C ZINC000077072074 173399728 /nfs/dbraw/zinc/39/97/28/173399728.db2.gz XCNLHPOXQYZLGF-UHFFFAOYSA-N 1 0 225.291 3.614 10 0 BHAERO Cc1oc(C)c([C@@H]([NH3+])c2cc(C)ccc2C)c1C ZINC000077088648 178502150 /nfs/dbraw/zinc/50/21/50/178502150.db2.gz KBKNZBIPTVLQRB-INIZCTEOSA-N 1 0 243.350 3.870 10 0 BHAERO C[NH+](C)C[C@@H](c1ccc(O)cc1)C1=CCCCC1 ZINC000077286656 172491961 /nfs/dbraw/zinc/49/19/61/172491961.db2.gz TZCZNCWNSMBGJC-MRXNPFEDSA-N 1 0 245.366 3.538 10 0 in-vitro BHAERO C[NH+](C)C[C@H](c1ccc(O)cc1)C1=CCCCC1 ZINC000077286659 398308174 /nfs/dbraw/zinc/30/81/74/398308174.db2.gz TZCZNCWNSMBGJC-INIZCTEOSA-N 1 0 245.366 3.538 10 0 in-vitro BHAERO C[NH+](C)C[C@@H](c1ccc(O)cc1)C1CCCCC1 ZINC000077286815 172484247 /nfs/dbraw/zinc/48/42/47/172484247.db2.gz BKCFZQQZVCEESN-MRXNPFEDSA-N 1 0 247.382 3.618 10 0 in-vitro BHAERO C[NH+](C)C[C@H](c1ccc(O)cc1)C1CCCCC1 ZINC000077286817 398308183 /nfs/dbraw/zinc/30/81/83/398308183.db2.gz BKCFZQQZVCEESN-INIZCTEOSA-N 1 0 247.382 3.618 10 0 in-vitro BHAERO CC1(C)CC[NH2+][C@@H](c2cccc(F)c2)CC1 ZINC000077292720 363160360 /nfs/dbraw/zinc/16/03/60/363160360.db2.gz VLLXASFWBLOTSP-CYBMUJFWSA-N 1 0 221.319 3.667 10 0 in-vitro BHAERO CC1(C)CC[NH2+][C@H](c2cccc(F)c2)CC1 ZINC000077292721 363160559 /nfs/dbraw/zinc/16/05/59/363160559.db2.gz VLLXASFWBLOTSP-ZDUSSCGKSA-N 1 0 221.319 3.667 10 0 in-vitro BHAERO Cc1cc(C)c([C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000077325543 177876799 /nfs/dbraw/zinc/87/67/99/177876799.db2.gz BINWQAKXKJPXCC-UONOGXRCSA-N 1 0 217.356 3.597 10 0 BHAERO Cc1ccc([C@H](C)CC[NH2+]C2CC2)cc1C ZINC000077325601 178882507 /nfs/dbraw/zinc/88/25/07/178882507.db2.gz VTWXXQLAUIZWHY-GFCCVEGCSA-N 1 0 217.356 3.549 10 0 BHAERO Cc1ccc(C)c([C@H](C)CC[NH2+]C2CC2)c1 ZINC000077325608 178499250 /nfs/dbraw/zinc/49/92/50/178499250.db2.gz BMNCZKNRPYKXGM-CYBMUJFWSA-N 1 0 217.356 3.549 10 0 BHAERO CCCCc1ccc(C(C)(C)C[NH2+]C)cc1 ZINC000077329507 169020906 /nfs/dbraw/zinc/02/09/06/169020906.db2.gz CWDIYJINHUMYOK-UHFFFAOYSA-N 1 0 219.372 3.526 10 0 BHAERO C/C(=C\C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000077336103 187426375 /nfs/dbraw/zinc/42/63/75/187426375.db2.gz PUZIKUYZPSHYKB-ACCUITESSA-N 1 0 223.319 3.716 10 0 BHAERO C[C@@H](CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000077336522 175675615 /nfs/dbraw/zinc/67/56/15/175675615.db2.gz DHUQKIMZTZNABZ-JTQLQIEISA-N 1 0 223.747 3.586 10 0 BHAERO Cc1ccccc1C1(C[NH3+])CC2(C1)CCCC2 ZINC000077358520 179255629 /nfs/dbraw/zinc/25/56/29/179255629.db2.gz PGGGQMBYCBWGMH-UHFFFAOYSA-N 1 0 229.367 3.546 10 0 BHAERO Cc1cccc(C2(C[NH3+])CC3(C2)CCCC3)c1 ZINC000077358524 179050938 /nfs/dbraw/zinc/05/09/38/179050938.db2.gz CWXACCQEEHCRRZ-UHFFFAOYSA-N 1 0 229.367 3.546 10 0 BHAERO Cc1ccc(C2(C[NH3+])CC3(C2)CCCC3)cc1 ZINC000077358528 178512217 /nfs/dbraw/zinc/51/22/17/178512217.db2.gz WVLSKDGXWAHCHV-UHFFFAOYSA-N 1 0 229.367 3.546 10 0 BHAERO [NH3+]CC1(c2ccccc2)CC2(C1)CCCCC2 ZINC000077358531 181363084 /nfs/dbraw/zinc/36/30/84/181363084.db2.gz UYDYPMSQXNCKGK-UHFFFAOYSA-N 1 0 229.367 3.627 10 0 BHAERO [NH3+][C@H]1CC[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000077359021 181654670 /nfs/dbraw/zinc/65/46/70/181654670.db2.gz COOCUIFYUUQYEQ-APPZFPTMSA-N 1 0 230.138 3.588 10 0 BHAERO CC(C)(C[NH3+])c1cccc(-c2cccs2)c1 ZINC000077361929 487779683 /nfs/dbraw/zinc/77/96/83/487779683.db2.gz MQHQTZKBMYXLME-UHFFFAOYSA-N 1 0 231.364 3.651 10 0 BHAERO CC(C)c1ccc([C@]2(C[NH3+])CCC[C@H]2C)cc1 ZINC000077361942 167622047 /nfs/dbraw/zinc/62/20/47/167622047.db2.gz VYVSXPNDANJKQE-CJNGLKHVSA-N 1 0 231.383 3.827 10 0 BHAERO CC(C)(C)c1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000077367710 188311880 /nfs/dbraw/zinc/31/18/80/188311880.db2.gz LZVSLAKOLAZZLW-UHFFFAOYSA-N 1 0 233.399 3.902 10 0 BHAERO CC(C)Cc1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000077367711 188136704 /nfs/dbraw/zinc/13/67/04/188136704.db2.gz DXLGDYIWVAUXDO-UHFFFAOYSA-N 1 0 233.399 3.803 10 0 BHAERO [NH3+]CC1(c2cccs2)CC2(C1)CCCCC2 ZINC000077371685 181363506 /nfs/dbraw/zinc/36/35/06/181363506.db2.gz MYKDDDDJNOYVDI-UHFFFAOYSA-N 1 0 235.396 3.689 10 0 BHAERO c1ccc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000077374376 183379773 /nfs/dbraw/zinc/37/97/73/183379773.db2.gz KWORGEHFHJQRML-HNNXBMFYSA-N 1 0 237.346 3.506 10 0 BHAERO c1ccc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000077374377 183379577 /nfs/dbraw/zinc/37/95/77/183379577.db2.gz KWORGEHFHJQRML-OAHLLOKOSA-N 1 0 237.346 3.506 10 0 BHAERO CC(C)c1ccc(SC[C@@H]([NH3+])C(C)C)cc1 ZINC000077374427 167611377 /nfs/dbraw/zinc/61/13/77/167611377.db2.gz TXNIGTLZSKSEHH-CQSZACIVSA-N 1 0 237.412 3.885 10 0 BHAERO CC(C)C1CC(C[NH3+])(c2ccccc2Cl)C1 ZINC000077374460 188137021 /nfs/dbraw/zinc/13/70/21/188137021.db2.gz VRAOHVGHJWJNOC-UHFFFAOYSA-N 1 0 237.774 3.603 10 0 BHAERO CC(C)C1CC(C[NH3+])(c2ccc(Cl)cc2)C1 ZINC000077374462 187280981 /nfs/dbraw/zinc/28/09/81/187280981.db2.gz ROTRPBOAEZNZPJ-UHFFFAOYSA-N 1 0 237.774 3.603 10 0 BHAERO CC1CCC(C[NH3+])(c2ccccc2Cl)CC1 ZINC000077374463 168153399 /nfs/dbraw/zinc/15/33/99/168153399.db2.gz GTFOIWSVWXUZBD-UHFFFAOYSA-N 1 0 237.774 3.747 10 0 BHAERO CC1CCC(C[NH3+])(c2cccc(Cl)c2)CC1 ZINC000077374464 168154336 /nfs/dbraw/zinc/15/43/36/168154336.db2.gz ZPECFEGBCMGWSE-UHFFFAOYSA-N 1 0 237.774 3.747 10 0 BHAERO CC1CCC(C[NH3+])(c2ccc(Cl)cc2)CC1 ZINC000077374465 168153876 /nfs/dbraw/zinc/15/38/76/168153876.db2.gz FLKFDMDHMZUCKV-UHFFFAOYSA-N 1 0 237.774 3.747 10 0 BHAERO Cc1ccc(C)c(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000077384952 178459817 /nfs/dbraw/zinc/45/98/17/178459817.db2.gz AWGDABGHTQXGKG-CQSZACIVSA-N 1 0 239.362 3.860 10 0 BHAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)c(C)c1 ZINC000077384955 178324572 /nfs/dbraw/zinc/32/45/72/178324572.db2.gz XNLJARQSUBDKBL-CQSZACIVSA-N 1 0 239.362 3.860 10 0 BHAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)c(C)c1 ZINC000077384957 178324587 /nfs/dbraw/zinc/32/45/87/178324587.db2.gz XNLJARQSUBDKBL-AWEZNQCLSA-N 1 0 239.362 3.860 10 0 BHAERO Cc1cccc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1C ZINC000077384959 178993406 /nfs/dbraw/zinc/99/34/06/178993406.db2.gz SEZJWUAGPWPRHK-CYBMUJFWSA-N 1 0 239.362 3.860 10 0 BHAERO Cc1ccccc1C1(C[NH3+])CC2(C1)CCCCC2 ZINC000077394613 179255402 /nfs/dbraw/zinc/25/54/02/179255402.db2.gz XBLJIEDWPUZHKH-UHFFFAOYSA-N 1 0 243.394 3.936 10 0 BHAERO Cc1cccc(C2(C[NH3+])CC3(C2)CCCCC3)c1 ZINC000077394618 179051072 /nfs/dbraw/zinc/05/10/72/179051072.db2.gz SECKBRIWVTZQSG-UHFFFAOYSA-N 1 0 243.394 3.936 10 0 BHAERO Cc1ccc(C2(C[NH3+])CC3(C2)CCCCC3)cc1 ZINC000077394621 178512397 /nfs/dbraw/zinc/51/23/97/178512397.db2.gz WIHGAWKYUULXLG-UHFFFAOYSA-N 1 0 243.394 3.936 10 0 BHAERO Cc1cc([C@@H](C)CC[NH2+]C2CC2)c(C)n1C1CC1 ZINC000077404225 178221061 /nfs/dbraw/zinc/22/10/61/178221061.db2.gz APSPURDTLPKXOU-NSHDSACASA-N 1 0 246.398 3.685 10 0 BHAERO Cc1cc([C@H](C)CC[NH2+]C2CC2)c(C)n1C1CC1 ZINC000077404228 178243904 /nfs/dbraw/zinc/24/39/04/178243904.db2.gz APSPURDTLPKXOU-LLVKDONJSA-N 1 0 246.398 3.685 10 0 BHAERO [NH3+]CC1(c2ccccc2F)CC2(C1)CCCCC2 ZINC000077418428 181362432 /nfs/dbraw/zinc/36/24/32/181362432.db2.gz FPNDBAPSXGNIEC-UHFFFAOYSA-N 1 0 247.357 3.767 10 0 BHAERO [NH3+]CC1(c2ccc(F)cc2)CC2(C1)CCCCC2 ZINC000077418430 181362416 /nfs/dbraw/zinc/36/24/16/181362416.db2.gz DNTWSRQDEQMCMO-UHFFFAOYSA-N 1 0 247.357 3.767 10 0 BHAERO [NH3+]CC1(c2cccc(F)c2)CC2(C1)CCCCC2 ZINC000077418432 181362403 /nfs/dbraw/zinc/36/24/03/181362403.db2.gz RVMINXIWEGTGSQ-UHFFFAOYSA-N 1 0 247.357 3.767 10 0 BHAERO COc1cc(C)c(C)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077419017 174955797 /nfs/dbraw/zinc/95/57/97/174955797.db2.gz HTLYINSRXYDHKE-NSHDSACASA-N 1 0 247.382 3.558 10 0 BHAERO COc1cc(C)c([C@H](C)CC[NH2+]C2CC2)cc1C ZINC000077419027 174962074 /nfs/dbraw/zinc/96/20/74/174962074.db2.gz LQTLXTRMTAAPIH-LLVKDONJSA-N 1 0 247.382 3.558 10 0 BHAERO COc1ccc([C@@H](C)CC[NH2+]C2CC2)c(C)c1C ZINC000077419039 175175954 /nfs/dbraw/zinc/17/59/54/175175954.db2.gz BUOZZZYDZZAILI-NSHDSACASA-N 1 0 247.382 3.558 10 0 BHAERO COc1ccc([C@H](C)CC[NH2+]C2CC2)c(C)c1C ZINC000077419041 175187280 /nfs/dbraw/zinc/18/72/80/175187280.db2.gz BUOZZZYDZZAILI-LLVKDONJSA-N 1 0 247.382 3.558 10 0 BHAERO [NH3+]CCCOCc1ccc(C2CCCCC2)cc1 ZINC000077419071 181384326 /nfs/dbraw/zinc/38/43/26/181384326.db2.gz PYVMUDCHRGLQBH-UHFFFAOYSA-N 1 0 247.382 3.600 10 0 BHAERO Cc1cc([C@@H](C)CC[NH2+]C2CC2)c(C)n1C(C)C ZINC000077425364 178221109 /nfs/dbraw/zinc/22/11/09/178221109.db2.gz VRQHNJKQERKFDD-LBPRGKRZSA-N 1 0 248.414 3.931 10 0 BHAERO Cc1cc([C@H](C)CC[NH2+]C2CC2)c(C)n1C(C)C ZINC000077425366 178244027 /nfs/dbraw/zinc/24/40/27/178244027.db2.gz VRQHNJKQERKFDD-GFCCVEGCSA-N 1 0 248.414 3.931 10 0 BHAERO COc1ccc(CCC(C)(C)C[NH3+])cc1C(C)C ZINC000077429540 175088786 /nfs/dbraw/zinc/08/87/86/175088786.db2.gz CYIUUJWJLQPVIT-UHFFFAOYSA-N 1 0 249.398 3.736 10 0 BHAERO COc1ccc(C(C)C)cc1CCC(C)(C)C[NH3+] ZINC000077429546 175068549 /nfs/dbraw/zinc/06/85/49/175068549.db2.gz BHIVDTDXBREIQP-UHFFFAOYSA-N 1 0 249.398 3.736 10 0 BHAERO CC(C)(C)Oc1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000077429553 188311613 /nfs/dbraw/zinc/31/16/13/188311613.db2.gz HJYSDSDAFWFJMW-UHFFFAOYSA-N 1 0 249.398 3.781 10 0 BHAERO [NH3+]CC1(c2ccccc2Cl)CC2(C1)CCCC2 ZINC000077429823 181363047 /nfs/dbraw/zinc/36/30/47/181363047.db2.gz LUCODGRIVDZRGC-UHFFFAOYSA-N 1 0 249.785 3.891 10 0 BHAERO [NH3+]CC1(c2cccc(Cl)c2)CC2(C1)CCCC2 ZINC000077429824 181363092 /nfs/dbraw/zinc/36/30/92/181363092.db2.gz BNUGTFCEOLGKCA-UHFFFAOYSA-N 1 0 249.785 3.891 10 0 BHAERO [NH3+]CC1(c2ccc(Cl)cc2)CC2(C1)CCCC2 ZINC000077429826 181361576 /nfs/dbraw/zinc/36/15/76/181361576.db2.gz PAURDGZFPLFCEM-UHFFFAOYSA-N 1 0 249.785 3.891 10 0 BHAERO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)CC[NH2+]2)cc1 ZINC000079032348 178876735 /nfs/dbraw/zinc/87/67/35/178876735.db2.gz KYTNMSSUIFVODM-NEPJUHHUSA-N 1 0 243.272 3.598 10 0 BHAERO C[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000079902938 176014575 /nfs/dbraw/zinc/01/45/75/176014575.db2.gz WONDYVOIZVGRAH-GXTWGEPZSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000079902939 177033511 /nfs/dbraw/zinc/03/35/11/177033511.db2.gz WONDYVOIZVGRAH-TZMCWYRMSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000079902940 176013972 /nfs/dbraw/zinc/01/39/72/176013972.db2.gz WONDYVOIZVGRAH-JSGCOSHPSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000079902941 177033474 /nfs/dbraw/zinc/03/34/74/177033474.db2.gz WONDYVOIZVGRAH-OCCSQVGLSA-N 1 0 231.383 3.697 10 0 BHAERO CC1(C)CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000079979325 388550349 /nfs/dbraw/zinc/55/03/49/388550349.db2.gz ZZVJRMCOALVYEV-GXTWGEPZSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000079979329 388550666 /nfs/dbraw/zinc/55/06/66/388550666.db2.gz ZZVJRMCOALVYEV-TZMCWYRMSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000079979332 388550829 /nfs/dbraw/zinc/55/08/29/388550829.db2.gz ZZVJRMCOALVYEV-JSGCOSHPSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000079979334 325470982 /nfs/dbraw/zinc/47/09/82/325470982.db2.gz ZZVJRMCOALVYEV-OCCSQVGLSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1ccccc1[C@H](C)N[C@H](C)c1nccs1 ZINC000080264973 179339056 /nfs/dbraw/zinc/33/90/56/179339056.db2.gz GAIGVWBOCWRTKD-NWDGAFQWSA-N 1 0 246.379 3.863 10 0 BHAERO CCCOc1ccc(CCC[NH2+]C(C)(C)C)cc1 ZINC000080392182 169317697 /nfs/dbraw/zinc/31/76/97/169317697.db2.gz SPBOZWYBVUPGLI-UHFFFAOYSA-N 1 0 249.398 3.796 10 0 BHAERO CC(C)Oc1ccc(CCC[NH2+]C(C)(C)C)cc1 ZINC000080392255 167291935 /nfs/dbraw/zinc/29/19/35/167291935.db2.gz IHDJEXIPWGONPA-UHFFFAOYSA-N 1 0 249.398 3.795 10 0 BHAERO CCCc1ccc(CCC[NH2+]C(C)(C)C)cc1 ZINC000080392274 169570784 /nfs/dbraw/zinc/57/07/84/169570784.db2.gz LXCCFZLNGLATJM-UHFFFAOYSA-N 1 0 233.399 3.960 10 0 BHAERO CC[C@@H]1CC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000080433208 325480904 /nfs/dbraw/zinc/48/09/04/325480904.db2.gz QXYAHQNGLGHCRH-CJNGLKHVSA-N 1 0 246.398 3.739 10 0 BHAERO CC[C@H]1CC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000080433211 325480877 /nfs/dbraw/zinc/48/08/77/325480877.db2.gz QXYAHQNGLGHCRH-BBRMVZONSA-N 1 0 246.398 3.739 10 0 BHAERO CC[C@H]1CC[C@@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000080433224 325480804 /nfs/dbraw/zinc/48/08/04/325480804.db2.gz QXYAHQNGLGHCRH-XJKSGUPXSA-N 1 0 246.398 3.739 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000080454368 368508495 /nfs/dbraw/zinc/50/84/95/368508495.db2.gz VJUVDFGXIQDJPM-NOOOWODRSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000080454371 368508207 /nfs/dbraw/zinc/50/82/07/368508207.db2.gz VJUVDFGXIQDJPM-FIQHERPVSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000080454375 368508630 /nfs/dbraw/zinc/50/86/30/368508630.db2.gz VJUVDFGXIQDJPM-WISYIIOYSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000080454378 368508511 /nfs/dbraw/zinc/50/85/11/368508511.db2.gz VJUVDFGXIQDJPM-WHOHXGKFSA-N 1 0 249.320 3.886 10 0 BHAERO CC[C@@H]1CC[C@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000080456333 325481132 /nfs/dbraw/zinc/48/11/32/325481132.db2.gz WQYRMAWSWMHGAH-CJNGLKHVSA-N 1 0 246.398 3.739 10 0 BHAERO CC[C@H]1CC[C@@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000080456348 325481307 /nfs/dbraw/zinc/48/13/07/325481307.db2.gz WQYRMAWSWMHGAH-XJKSGUPXSA-N 1 0 246.398 3.739 10 0 BHAERO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](CC)C2)c1 ZINC000080456962 325481190 /nfs/dbraw/zinc/48/11/90/325481190.db2.gz AUCWCXDXXLXKNJ-HIFRSBDPSA-N 1 0 247.382 3.754 10 0 BHAERO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](CC)C2)c1 ZINC000080456971 325481304 /nfs/dbraw/zinc/48/13/04/325481304.db2.gz AUCWCXDXXLXKNJ-UKRRQHHQSA-N 1 0 247.382 3.754 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000080459292 325481179 /nfs/dbraw/zinc/48/11/79/325481179.db2.gz LPXLSJZQHVCJER-KGLIPLIRSA-N 1 0 249.423 3.947 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000080459296 325481346 /nfs/dbraw/zinc/48/13/46/325481346.db2.gz LPXLSJZQHVCJER-ZIAGYGMSSA-N 1 0 249.423 3.947 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000080460483 325481193 /nfs/dbraw/zinc/48/11/93/325481193.db2.gz DJRDJKOGYDSDDW-ZBFHGGJFSA-N 1 0 231.383 3.706 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080507432 325481719 /nfs/dbraw/zinc/48/17/19/325481719.db2.gz FAYHJZIIVYUQTR-GFCCVEGCSA-N 1 0 247.382 3.534 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080507438 388559415 /nfs/dbraw/zinc/55/94/15/388559415.db2.gz FAYHJZIIVYUQTR-LBPRGKRZSA-N 1 0 247.382 3.534 10 0 BHAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000080773552 384581199 /nfs/dbraw/zinc/58/11/99/384581199.db2.gz SFOMNQOZPAXMQE-CYBMUJFWSA-N 1 0 242.366 3.989 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000080773554 384581434 /nfs/dbraw/zinc/58/14/34/384581434.db2.gz SFOMNQOZPAXMQE-ZDUSSCGKSA-N 1 0 242.366 3.989 10 0 BHAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)s1 ZINC000080778845 384175619 /nfs/dbraw/zinc/17/56/19/384175619.db2.gz SPFDORJNOACZOO-QMMMGPOBSA-N 1 0 240.759 3.580 10 0 BHAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)s1 ZINC000080778848 384923769 /nfs/dbraw/zinc/92/37/69/384923769.db2.gz SPFDORJNOACZOO-MRVPVSSYSA-N 1 0 240.759 3.580 10 0 BHAERO CC(C)[C@@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000081046647 388566737 /nfs/dbraw/zinc/56/67/37/388566737.db2.gz MPMUBDGDMOYBOJ-ZDUSSCGKSA-N 1 0 242.366 3.617 10 0 BHAERO CC(C)[C@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000081046649 325489354 /nfs/dbraw/zinc/48/93/54/325489354.db2.gz MPMUBDGDMOYBOJ-CYBMUJFWSA-N 1 0 242.366 3.617 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081626913 325510549 /nfs/dbraw/zinc/51/05/49/325510549.db2.gz GDMUSDXJKGDALY-FPMFFAJLSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081626921 325510315 /nfs/dbraw/zinc/51/03/15/325510315.db2.gz GDMUSDXJKGDALY-UBHSHLNASA-N 1 0 209.377 3.589 10 0 BHAERO CS[C@@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000081888174 175547820 /nfs/dbraw/zinc/54/78/20/175547820.db2.gz YDLXSAIYYQCQPV-CABCVRRESA-N 1 0 243.375 3.791 10 0 BHAERO CC[C@H]([NH2+]Cc1ccccc1)c1ccccc1N ZINC000082306035 344731744 /nfs/dbraw/zinc/73/17/44/344731744.db2.gz LUEFBXRNXXBTPY-INIZCTEOSA-N 1 0 240.350 3.510 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1N ZINC000082306037 344731746 /nfs/dbraw/zinc/73/17/46/344731746.db2.gz LUEFBXRNXXBTPY-MRXNPFEDSA-N 1 0 240.350 3.510 10 0 BHAERO CC(C)[C@@H]([NH3+])c1nc2ccc(Cl)cc2s1 ZINC000082320570 188294050 /nfs/dbraw/zinc/29/40/50/188294050.db2.gz ZYWFUUXZLZCFCO-SNVBAGLBSA-N 1 0 240.759 3.606 10 0 BHAERO COc1ccc([C@@H]([NH3+])CCC(C)(C)C)cc1F ZINC000082328425 175179657 /nfs/dbraw/zinc/17/96/57/175179657.db2.gz JYPARHRHBQRWBR-LBPRGKRZSA-N 1 0 239.334 3.660 10 0 BHAERO COc1ccc([C@H]([NH3+])CCC(C)(C)C)cc1F ZINC000082328426 175191919 /nfs/dbraw/zinc/19/19/19/175191919.db2.gz JYPARHRHBQRWBR-GFCCVEGCSA-N 1 0 239.334 3.660 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 ZINC000082342782 187282091 /nfs/dbraw/zinc/28/20/91/187282091.db2.gz SKEVJFAMMSEZFD-LBPRGKRZSA-N 1 0 233.355 3.545 10 0 BHAERO CC(C)(C)c1ccc(C[C@H]([NH3+])CC2CC2)cc1 ZINC000082345188 188312905 /nfs/dbraw/zinc/31/29/05/188312905.db2.gz RHRBZOIGAJKTBH-OAHLLOKOSA-N 1 0 231.383 3.654 10 0 BHAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])CC2CC2)cc1 ZINC000082345189 187620673 /nfs/dbraw/zinc/62/06/73/187620673.db2.gz RHRBZOIGAJKTBH-HNNXBMFYSA-N 1 0 231.383 3.654 10 0 BHAERO Cc1cccc(CC[C@H]([NH3+])CCC(C)C)c1 ZINC000082366076 179061479 /nfs/dbraw/zinc/06/14/79/179061479.db2.gz OYAWKIMZLRXOEB-OAHLLOKOSA-N 1 0 219.372 3.691 10 0 BHAERO Cc1cccc(CC[C@@H]([NH3+])CCC(C)C)c1 ZINC000082366077 179062199 /nfs/dbraw/zinc/06/21/99/179062199.db2.gz OYAWKIMZLRXOEB-HNNXBMFYSA-N 1 0 219.372 3.691 10 0 BHAERO CCc1nc(C(C)C)sc1C[NH2+]CC(C)C ZINC000082422538 171949303 /nfs/dbraw/zinc/94/93/03/171949303.db2.gz UJJCOTYNMWQRNL-UHFFFAOYSA-N 1 0 240.416 3.575 10 0 BHAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1CC ZINC000082423894 169270047 /nfs/dbraw/zinc/27/00/47/169270047.db2.gz DXARIZVIDNALRN-UHFFFAOYSA-N 1 0 240.416 3.503 10 0 BHAERO CCCc1nc(-c2ccccc2C)sc1C[NH3+] ZINC000082426604 169581666 /nfs/dbraw/zinc/58/16/66/169581666.db2.gz MCJOGBUESQJTLT-UHFFFAOYSA-N 1 0 246.379 3.530 10 0 BHAERO CCC[NH2+]Cc1sc(CCC)nc1CCC ZINC000082427004 169269439 /nfs/dbraw/zinc/26/94/39/169269439.db2.gz JYLAFTLUJBIBDE-UHFFFAOYSA-N 1 0 240.416 3.548 10 0 BHAERO Cc1ccccc1-c1nc(C(C)C)c(C[NH3+])s1 ZINC000082429432 179238338 /nfs/dbraw/zinc/23/83/38/179238338.db2.gz HHGPVYSEPAHEAP-UHFFFAOYSA-N 1 0 246.379 3.701 10 0 BHAERO CC(C)[NH2+]Cc1sc(C(C)C)nc1C(C)C ZINC000082429445 167123843 /nfs/dbraw/zinc/12/38/43/167123843.db2.gz XRFBTPLJVZKCGK-UHFFFAOYSA-N 1 0 240.416 3.888 10 0 BHAERO CCC[NH2+]Cc1sc(C(C)C)nc1C(C)C ZINC000082429446 169269615 /nfs/dbraw/zinc/26/96/15/169269615.db2.gz NKNWBCRHYIXZAX-UHFFFAOYSA-N 1 0 240.416 3.890 10 0 BHAERO CCC[NH2+]Cc1sc(CCC)nc1C(C)C ZINC000082429628 169269508 /nfs/dbraw/zinc/26/95/08/169269508.db2.gz AWZCCXIBYRAVSO-UHFFFAOYSA-N 1 0 240.416 3.719 10 0 BHAERO Cc1ccc(-c2nc(C(C)C)c(C[NH3+])s2)cc1 ZINC000082429724 178332651 /nfs/dbraw/zinc/33/26/51/178332651.db2.gz LGTGGZSIPGAADR-UHFFFAOYSA-N 1 0 246.379 3.701 10 0 BHAERO CC(C)[NH2+]Cc1sc(C2CC2)nc1C(C)C ZINC000082430363 167123433 /nfs/dbraw/zinc/12/34/33/167123433.db2.gz SUQXRBFIMLWHLX-UHFFFAOYSA-N 1 0 238.400 3.642 10 0 BHAERO CCC[NH2+]Cc1sc(C2CC2)nc1C(C)C ZINC000082430364 169269116 /nfs/dbraw/zinc/26/91/16/169269116.db2.gz JRNKQRTWTIBICN-UHFFFAOYSA-N 1 0 238.400 3.644 10 0 BHAERO CC[NH2+]Cc1sc(CC(C)C)nc1C(C)C ZINC000082430436 170132708 /nfs/dbraw/zinc/13/27/08/170132708.db2.gz BJNUTRMOXSWBFR-UHFFFAOYSA-N 1 0 240.416 3.575 10 0 BHAERO CC[NH2+]Cc1sc(C(C)(C)C)nc1C(C)C ZINC000082432690 170132404 /nfs/dbraw/zinc/13/24/04/170132404.db2.gz JHIYBVGLSXZEDY-UHFFFAOYSA-N 1 0 240.416 3.674 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CCC(C)C ZINC000082434108 170154477 /nfs/dbraw/zinc/15/44/77/170154477.db2.gz MIVLAUMBUIFNGP-MELADBBJSA-N 1 0 211.393 3.837 10 0 BHAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CCC(C)C ZINC000082434109 170169112 /nfs/dbraw/zinc/16/91/12/170169112.db2.gz MIVLAUMBUIFNGP-IHRRRGAJSA-N 1 0 211.393 3.837 10 0 BHAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CCC(C)C ZINC000082434110 170152869 /nfs/dbraw/zinc/15/28/69/170152869.db2.gz MIVLAUMBUIFNGP-HZSPNIEDSA-N 1 0 211.393 3.837 10 0 BHAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CCC(C)C ZINC000082434111 170168801 /nfs/dbraw/zinc/16/88/01/170168801.db2.gz MIVLAUMBUIFNGP-RDBSUJKOSA-N 1 0 211.393 3.837 10 0 BHAERO CC(C)[NH2+]Cc1sc(C(C)C)nc1C1CC1 ZINC000082435231 167123548 /nfs/dbraw/zinc/12/35/48/167123548.db2.gz BWMSIBAFURDMKQ-UHFFFAOYSA-N 1 0 238.400 3.642 10 0 BHAERO CCC[NH2+]Cc1sc(C(C)C)nc1C1CC1 ZINC000082435232 169269113 /nfs/dbraw/zinc/26/91/13/169269113.db2.gz SBIOELBZYKXADX-UHFFFAOYSA-N 1 0 238.400 3.644 10 0 BHAERO CCC[NH2+]Cc1sc(CC)nc1C(C)(C)C ZINC000082438572 169268990 /nfs/dbraw/zinc/26/89/90/169268990.db2.gz AHLZIVGSKIDFTL-UHFFFAOYSA-N 1 0 240.416 3.503 10 0 BHAERO CC[NH2+]Cc1sc(C(C)C)nc1C(C)(C)C ZINC000082438694 170132634 /nfs/dbraw/zinc/13/26/34/170132634.db2.gz QGDZOCAODCGIGD-UHFFFAOYSA-N 1 0 240.416 3.674 10 0 BHAERO CCC[NH2+]CC1(CCC(C)C)CCCC1 ZINC000082441797 169256582 /nfs/dbraw/zinc/25/65/82/169256582.db2.gz HCSFCTIPVJGLTK-UHFFFAOYSA-N 1 0 211.393 3.983 10 0 BHAERO CC[C@H]([NH3+])[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082443065 171488071 /nfs/dbraw/zinc/48/80/71/171488071.db2.gz WVGXXAFGBVKQFD-UFBFGSQYSA-N 1 0 246.181 3.909 10 0 BHAERO CC[C@H]([NH3+])[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082443067 171488316 /nfs/dbraw/zinc/48/83/16/171488316.db2.gz WVGXXAFGBVKQFD-PELKAZGASA-N 1 0 246.181 3.909 10 0 BHAERO Cc1nc(-c2ccc(Cl)cc2)ccc1[C@@H](C)[NH3+] ZINC000082481382 385223618 /nfs/dbraw/zinc/22/36/18/385223618.db2.gz LTZGVSRIABKQAM-SECBINFHSA-N 1 0 246.741 3.730 10 0 BHAERO Cc1nc(-c2ccc(Cl)cc2)ccc1[C@H](C)[NH3+] ZINC000082481383 385222366 /nfs/dbraw/zinc/22/23/66/385222366.db2.gz LTZGVSRIABKQAM-VIFPVBQESA-N 1 0 246.741 3.730 10 0 BHAERO CCCC[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504825 644383418 /nfs/dbraw/zinc/38/34/18/644383418.db2.gz HIRLKLUFFDTNJP-CYBMUJFWSA-N 1 0 233.355 3.679 10 0 BHAERO CCCC[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504828 644383925 /nfs/dbraw/zinc/38/39/25/644383925.db2.gz HIRLKLUFFDTNJP-ZDUSSCGKSA-N 1 0 233.355 3.679 10 0 BHAERO CC(C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504854 167011759 /nfs/dbraw/zinc/01/17/59/167011759.db2.gz LSQSYNXMDYVCIZ-CYBMUJFWSA-N 1 0 233.355 3.534 10 0 BHAERO CC(C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504856 167015336 /nfs/dbraw/zinc/01/53/36/167015336.db2.gz LSQSYNXMDYVCIZ-ZDUSSCGKSA-N 1 0 233.355 3.534 10 0 BHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2c(C)c(C)ccc21 ZINC000082505216 170149600 /nfs/dbraw/zinc/14/96/00/170149600.db2.gz VTHXHVGLIJKCKA-CYBMUJFWSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@H]1CC(C)(C)Oc2c(C)c(C)ccc21 ZINC000082505218 170166230 /nfs/dbraw/zinc/16/62/30/170166230.db2.gz VTHXHVGLIJKCKA-ZDUSSCGKSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2c(C)cc(C)cc21 ZINC000082505289 170150058 /nfs/dbraw/zinc/15/00/58/170150058.db2.gz YLJBCSCKXDKARR-CYBMUJFWSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@H]1CC(C)(C)Oc2c(C)cc(C)cc21 ZINC000082505291 170166105 /nfs/dbraw/zinc/16/61/05/170166105.db2.gz YLJBCSCKXDKARR-ZDUSSCGKSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(C)c(C)cc21 ZINC000082505332 170149699 /nfs/dbraw/zinc/14/96/99/170149699.db2.gz NSLXNIXAPRTADR-CYBMUJFWSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(C)c(C)cc21 ZINC000082505333 170165700 /nfs/dbraw/zinc/16/57/00/170165700.db2.gz NSLXNIXAPRTADR-ZDUSSCGKSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(C)cc(C)c21 ZINC000082505389 170149192 /nfs/dbraw/zinc/14/91/92/170149192.db2.gz HENLLPPCPPSQQL-GFCCVEGCSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(C)cc(C)c21 ZINC000082505391 170165940 /nfs/dbraw/zinc/16/59/40/170165940.db2.gz HENLLPPCPPSQQL-LBPRGKRZSA-N 1 0 233.355 3.515 10 0 BHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(Cl)cc21 ZINC000082505462 170149723 /nfs/dbraw/zinc/14/97/23/170149723.db2.gz SSJHIYNHLGQFPP-LLVKDONJSA-N 1 0 239.746 3.552 10 0 BHAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(Cl)cc21 ZINC000082505465 170165578 /nfs/dbraw/zinc/16/55/78/170165578.db2.gz SSJHIYNHLGQFPP-NSHDSACASA-N 1 0 239.746 3.552 10 0 BHAERO CC[NH2+][C@H]1C[C@@](C)(CC)Oc2ccc(C)cc21 ZINC000082506893 170169888 /nfs/dbraw/zinc/16/98/88/170169888.db2.gz MYKQGUIULIMBDT-DZGCQCFKSA-N 1 0 233.355 3.597 10 0 BHAERO CC[NH2+][C@H]1C[C@](C)(CC)Oc2ccc(C)cc21 ZINC000082506895 170169373 /nfs/dbraw/zinc/16/93/73/170169373.db2.gz MYKQGUIULIMBDT-ZFWWWQNUSA-N 1 0 233.355 3.597 10 0 BHAERO CC[NH2+][C@@H]1C[C@@](C)(CC)Oc2ccc(C)cc21 ZINC000082506898 170153416 /nfs/dbraw/zinc/15/34/16/170153416.db2.gz MYKQGUIULIMBDT-UKRRQHHQSA-N 1 0 233.355 3.597 10 0 BHAERO CC[NH2+][C@@H]1C[C@](C)(CC)Oc2ccc(C)cc21 ZINC000082506900 170153946 /nfs/dbraw/zinc/15/39/46/170153946.db2.gz MYKQGUIULIMBDT-HIFRSBDPSA-N 1 0 233.355 3.597 10 0 BHAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000082508194 170165852 /nfs/dbraw/zinc/16/58/52/170165852.db2.gz QIQDFOIHURMYML-ZDUSSCGKSA-N 1 0 233.355 3.679 10 0 BHAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000082508195 170149099 /nfs/dbraw/zinc/14/90/99/170149099.db2.gz QIQDFOIHURMYML-CYBMUJFWSA-N 1 0 233.355 3.679 10 0 BHAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2ccc(C)cc21 ZINC000082508256 170166008 /nfs/dbraw/zinc/16/60/08/170166008.db2.gz ZJHLZYZEYSACGJ-AWEZNQCLSA-N 1 0 247.382 3.987 10 0 BHAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2ccc(C)cc21 ZINC000082508257 170149853 /nfs/dbraw/zinc/14/98/53/170149853.db2.gz ZJHLZYZEYSACGJ-CQSZACIVSA-N 1 0 247.382 3.987 10 0 BHAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccc(C)cc21 ZINC000082508677 170149361 /nfs/dbraw/zinc/14/93/61/170149361.db2.gz UPZHTNKTHGVOJN-CQSZACIVSA-N 1 0 245.366 3.741 10 0 BHAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2ccc(C)cc21 ZINC000082508678 170165962 /nfs/dbraw/zinc/16/59/62/170165962.db2.gz UPZHTNKTHGVOJN-AWEZNQCLSA-N 1 0 245.366 3.741 10 0 BHAERO CC[C@]1(C)C[C@H]([NH2+]C)c2cc(Cl)ccc2O1 ZINC000082510470 171720333 /nfs/dbraw/zinc/72/03/33/171720333.db2.gz ITRFNGPFKOPRBB-WCQYABFASA-N 1 0 239.746 3.552 10 0 BHAERO CC[C@@]1(C)C[C@@H]([NH2+]C)c2cc(Cl)ccc2O1 ZINC000082510473 171205972 /nfs/dbraw/zinc/20/59/72/171205972.db2.gz ITRFNGPFKOPRBB-YPMHNXCESA-N 1 0 239.746 3.552 10 0 BHAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccc(F)cc21 ZINC000082510478 170149442 /nfs/dbraw/zinc/14/94/42/170149442.db2.gz CKEVEPUTTVSJFQ-CYBMUJFWSA-N 1 0 249.329 3.572 10 0 BHAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2ccc(F)cc21 ZINC000082510479 170165633 /nfs/dbraw/zinc/16/56/33/170165633.db2.gz CKEVEPUTTVSJFQ-ZDUSSCGKSA-N 1 0 249.329 3.572 10 0 BHAERO [NH3+]Cc1cscc1-c1ccc(Cl)cc1 ZINC000082539750 181496986 /nfs/dbraw/zinc/49/69/86/181496986.db2.gz VSJLMEGNNWFHKC-UHFFFAOYSA-N 1 0 223.728 3.527 10 0 BHAERO CC[C@@](C)([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000082540261 171170830 /nfs/dbraw/zinc/17/08/30/171170830.db2.gz UMSXBWPNPPWXHT-MRXNPFEDSA-N 1 0 225.335 3.938 10 0 BHAERO c1ccc(-c2ccc(CC[NH2+]C3CC3)cc2)cc1 ZINC000082548959 183379864 /nfs/dbraw/zinc/37/98/64/183379864.db2.gz MIPDRRRAURCRBO-UHFFFAOYSA-N 1 0 237.346 3.648 10 0 BHAERO Cc1scc(C[NH3+])c1-c1ccc(Cl)s1 ZINC000082551185 180560872 /nfs/dbraw/zinc/56/08/72/180560872.db2.gz MCYIMMOQKRYWIK-UHFFFAOYSA-N 1 0 243.784 3.897 10 0 BHAERO CC[NH2+][C@@H](C)CCc1csc2ccccc12 ZINC000082579777 170139293 /nfs/dbraw/zinc/13/92/93/170139293.db2.gz ACNPTCAPJGRLOH-NSHDSACASA-N 1 0 233.380 3.832 10 0 BHAERO CC[NH2+][C@H](C)CCc1csc2ccccc12 ZINC000082579778 170156930 /nfs/dbraw/zinc/15/69/30/170156930.db2.gz ACNPTCAPJGRLOH-LLVKDONJSA-N 1 0 233.380 3.832 10 0 BHAERO Cc1cc(C)c([C@@H]([NH3+])CC(C)C)cc1C ZINC000082593582 177871385 /nfs/dbraw/zinc/87/13/85/177871385.db2.gz YOYGNBRXGYGIDI-AWEZNQCLSA-N 1 0 205.345 3.658 10 0 BHAERO Cc1cc(C)c(CC[NH2+]C(C)(C)C)cc1C ZINC000082597996 177856817 /nfs/dbraw/zinc/85/68/17/177856817.db2.gz ZQDDVJOIOAINCM-UHFFFAOYSA-N 1 0 219.372 3.542 10 0 BHAERO CSc1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000082599365 188478354 /nfs/dbraw/zinc/47/83/54/188478354.db2.gz QABANZSKUNZHIF-ZDUSSCGKSA-N 1 0 221.369 3.599 10 0 BHAERO CC[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000082600283 170117134 /nfs/dbraw/zinc/11/71/34/170117134.db2.gz VJBADAIRLMKIAN-UHFFFAOYSA-N 1 0 225.335 3.506 10 0 BHAERO C[NH2+]C[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000082600289 173376249 /nfs/dbraw/zinc/37/62/49/173376249.db2.gz SDXHGRYFEMMRPC-ZDUSSCGKSA-N 1 0 225.335 3.677 10 0 BHAERO C[NH2+]C[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000082600293 173365057 /nfs/dbraw/zinc/36/50/57/173365057.db2.gz SDXHGRYFEMMRPC-CYBMUJFWSA-N 1 0 225.335 3.677 10 0 BHAERO [NH3+][C@@H](c1cc(Cl)ccc1F)C1CCCC1 ZINC000082601550 181561834 /nfs/dbraw/zinc/56/18/34/181561834.db2.gz CZMNVHFVCMQUAO-GFCCVEGCSA-N 1 0 227.710 3.669 10 0 BHAERO CC1CCC(C[NH2+]CCc2cccs2)CC1 ZINC000082602324 384434834 /nfs/dbraw/zinc/43/48/34/384434834.db2.gz QSLSDFWCOHVQMC-UHFFFAOYSA-N 1 0 237.412 3.707 10 0 BHAERO CCC[C@@H](CCCc1cccs1)[NH2+]CC ZINC000082602497 169382241 /nfs/dbraw/zinc/38/22/41/169382241.db2.gz YOUYQBCLQWQWTL-LBPRGKRZSA-N 1 0 225.401 3.849 10 0 BHAERO CC(C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082607325 167396158 /nfs/dbraw/zinc/39/61/58/167396158.db2.gz DQMYKFOMGJFHCY-SNVBAGLBSA-N 1 0 236.746 3.520 10 0 BHAERO CC(C)[C@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082607327 188496402 /nfs/dbraw/zinc/49/64/02/188496402.db2.gz DQMYKFOMGJFHCY-JTQLQIEISA-N 1 0 236.746 3.520 10 0 BHAERO c1ccc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000082607567 183379935 /nfs/dbraw/zinc/37/99/35/183379935.db2.gz NZIJGRLRVSGKTA-QGZVFWFLSA-N 1 0 237.346 3.821 10 0 BHAERO c1ccc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000082607569 183379423 /nfs/dbraw/zinc/37/94/23/183379423.db2.gz NZIJGRLRVSGKTA-KRWDZBQOSA-N 1 0 237.346 3.821 10 0 BHAERO CC[NH2+][C@@H]1C[C@H](C)c2ccc(C(C)C)cc21 ZINC000082618232 170153986 /nfs/dbraw/zinc/15/39/86/170153986.db2.gz VVXYUCYFWBGRMZ-XHDPSFHLSA-N 1 0 217.356 3.968 10 0 BHAERO CC[NH2+][C@@H]1C[C@@H](C)c2ccc(C(C)C)cc21 ZINC000082618234 170153949 /nfs/dbraw/zinc/15/39/49/170153949.db2.gz VVXYUCYFWBGRMZ-IAQYHMDHSA-N 1 0 217.356 3.968 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](C)c2ccc(C(C)C)cc21 ZINC000082618235 170169718 /nfs/dbraw/zinc/16/97/18/170169718.db2.gz VVXYUCYFWBGRMZ-ABAIWWIYSA-N 1 0 217.356 3.968 10 0 BHAERO CC[NH2+][C@@H]1C[C@H](CC)c2ccc(CC)cc21 ZINC000082618284 170153746 /nfs/dbraw/zinc/15/37/46/170153746.db2.gz GYLJHZUTUZZRGG-SWLSCSKDSA-N 1 0 217.356 3.797 10 0 BHAERO CC[NH2+][C@H]1C[C@H](CC)c2ccc(CC)cc21 ZINC000082618285 170169743 /nfs/dbraw/zinc/16/97/43/170169743.db2.gz GYLJHZUTUZZRGG-WFASDCNBSA-N 1 0 217.356 3.797 10 0 BHAERO CC[NH2+][C@@H]1C[C@@H](CC)c2ccc(CC)cc21 ZINC000082618286 170154014 /nfs/dbraw/zinc/15/40/14/170154014.db2.gz GYLJHZUTUZZRGG-IUODEOHRSA-N 1 0 217.356 3.797 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](CC)c2ccc(CC)cc21 ZINC000082618287 170169799 /nfs/dbraw/zinc/16/97/99/170169799.db2.gz GYLJHZUTUZZRGG-DOMZBBRYSA-N 1 0 217.356 3.797 10 0 BHAERO CCC[NH2+][C@@H]1C[C@H](C)c2ccc(CC)cc21 ZINC000082618387 169284209 /nfs/dbraw/zinc/28/42/09/169284209.db2.gz OUBWYHFCQDALAQ-XHDPSFHLSA-N 1 0 217.356 3.797 10 0 BHAERO CCC[NH2+][C@@H]1C[C@@H](C)c2ccc(CC)cc21 ZINC000082618389 169284016 /nfs/dbraw/zinc/28/40/16/169284016.db2.gz OUBWYHFCQDALAQ-IAQYHMDHSA-N 1 0 217.356 3.797 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H](C)c2ccc(CC)cc21 ZINC000082618390 169292863 /nfs/dbraw/zinc/29/28/63/169292863.db2.gz OUBWYHFCQDALAQ-ABAIWWIYSA-N 1 0 217.356 3.797 10 0 BHAERO CCCCCC[C@H]([NH2+]C)c1cc(C)ccn1 ZINC000082643714 168679337 /nfs/dbraw/zinc/67/93/37/168679337.db2.gz WAUOOXHRPRXAAI-ZDUSSCGKSA-N 1 0 220.360 3.621 10 0 BHAERO C[C@H]([NH3+])CCc1ccc(-c2cccs2)cc1 ZINC000082706582 487720290 /nfs/dbraw/zinc/72/02/90/487720290.db2.gz XUZJLCLMAXRJTJ-NSHDSACASA-N 1 0 231.364 3.695 10 0 BHAERO C[C@@H]([NH3+])CCc1ccc(-c2cccs2)cc1 ZINC000082706583 487720192 /nfs/dbraw/zinc/72/01/92/487720192.db2.gz XUZJLCLMAXRJTJ-LLVKDONJSA-N 1 0 231.364 3.695 10 0 BHAERO Cc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)cc1 ZINC000082706602 178322281 /nfs/dbraw/zinc/32/22/81/178322281.db2.gz RSJBPLFYCAOJFS-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO Cc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1 ZINC000082706603 178321851 /nfs/dbraw/zinc/32/18/51/178321851.db2.gz RSJBPLFYCAOJFS-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO Cc1ccccc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000082706630 179235841 /nfs/dbraw/zinc/23/58/41/179235841.db2.gz HBNROAGGMYCKJG-CYBMUJFWSA-N 1 0 225.335 3.552 10 0 BHAERO Cc1ccccc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000082706631 179235563 /nfs/dbraw/zinc/23/55/63/179235563.db2.gz HBNROAGGMYCKJG-ZDUSSCGKSA-N 1 0 225.335 3.552 10 0 BHAERO Cc1ccccc1-c1cc([C@@H](C)[NH3+])ccc1F ZINC000082706632 179235344 /nfs/dbraw/zinc/23/53/44/179235344.db2.gz HLKDTCQGYIFAEC-LLVKDONJSA-N 1 0 229.298 3.821 10 0 BHAERO Cc1ccccc1-c1cc([C@H](C)[NH3+])ccc1F ZINC000082706633 179235759 /nfs/dbraw/zinc/23/57/59/179235759.db2.gz HLKDTCQGYIFAEC-NSHDSACASA-N 1 0 229.298 3.821 10 0 BHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cccc(F)c2)c1 ZINC000082706777 175816843 /nfs/dbraw/zinc/81/68/43/175816843.db2.gz INSHVDQDDQPBSR-SECBINFHSA-N 1 0 233.261 3.652 10 0 BHAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)cc1C ZINC000082706804 178323978 /nfs/dbraw/zinc/32/39/78/178323978.db2.gz PILYNTZTHVFVAY-CQSZACIVSA-N 1 0 239.362 3.860 10 0 BHAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)cc1C ZINC000082706805 178324261 /nfs/dbraw/zinc/32/42/61/178324261.db2.gz PILYNTZTHVFVAY-AWEZNQCLSA-N 1 0 239.362 3.860 10 0 BHAERO COc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1 ZINC000082706830 175032279 /nfs/dbraw/zinc/03/22/79/175032279.db2.gz VJGGSIAHMSVTNC-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1cccc(-c2cc([C@H](C)[NH3+])ccc2F)c1 ZINC000082706852 175233793 /nfs/dbraw/zinc/23/37/93/175233793.db2.gz YNGUHBKLUSCXDJ-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1cccc(-c2cc([C@@H](C)[NH3+])ccc2F)c1 ZINC000082706853 175234287 /nfs/dbraw/zinc/23/42/87/175234287.db2.gz YNGUHBKLUSCXDJ-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccccc1-c1cc([C@H](C)[NH3+])ccc1F ZINC000082706878 175309052 /nfs/dbraw/zinc/30/90/52/175309052.db2.gz PMDOZDJGFJNRBR-JTQLQIEISA-N 1 0 245.297 3.521 10 0 BHAERO COc1ccccc1-c1cc([C@@H](C)[NH3+])ccc1F ZINC000082706879 175309485 /nfs/dbraw/zinc/30/94/85/175309485.db2.gz PMDOZDJGFJNRBR-SNVBAGLBSA-N 1 0 245.297 3.521 10 0 BHAERO C[C@H]([NH3+])Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000082706952 176761817 /nfs/dbraw/zinc/76/18/17/176761817.db2.gz IVSJCTOXHGPXHB-NSHDSACASA-N 1 0 245.753 3.897 10 0 BHAERO C[C@H]([NH3+])Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000082706998 176761657 /nfs/dbraw/zinc/76/16/57/176761657.db2.gz LXROEJAPRJOLMQ-JTQLQIEISA-N 1 0 247.288 3.522 10 0 BHAERO C[C@@H]([NH3+])c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082707951 175816902 /nfs/dbraw/zinc/81/69/02/175816902.db2.gz FPFZAPUVGLEOQZ-GFCCVEGCSA-N 1 0 248.329 3.922 10 0 BHAERO C[C@@H]([NH3+])c1ccc(-c2cccc3cccnc32)cc1 ZINC000082708025 175816744 /nfs/dbraw/zinc/81/67/44/175816744.db2.gz PPAZJJVMQXPASA-GFCCVEGCSA-N 1 0 248.329 3.922 10 0 BHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccccc2)c1 ZINC000082709294 173448710 /nfs/dbraw/zinc/44/87/10/173448710.db2.gz MJDYZWKKTFFYAN-LLVKDONJSA-N 1 0 229.298 3.773 10 0 BHAERO C[NH2+][C@H](C)Cc1ccc(-c2cccs2)cc1 ZINC000082709464 173447147 /nfs/dbraw/zinc/44/71/47/173447147.db2.gz SYBFDUNNOSPBLJ-LLVKDONJSA-N 1 0 231.364 3.566 10 0 BHAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(C)cc2)cc1 ZINC000082709491 173447215 /nfs/dbraw/zinc/44/72/15/173447215.db2.gz XTBFVMZGAMRLIL-CQSZACIVSA-N 1 0 239.362 3.812 10 0 BHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2C)cc1 ZINC000082709516 173416336 /nfs/dbraw/zinc/41/63/36/173416336.db2.gz QGDSAEACLQISGD-AWEZNQCLSA-N 1 0 239.362 3.812 10 0 BHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000082709599 173419018 /nfs/dbraw/zinc/41/90/18/173419018.db2.gz GJGRWHFUSJPBBC-JTQLQIEISA-N 1 0 247.288 3.912 10 0 BHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000082709600 173448410 /nfs/dbraw/zinc/44/84/10/173448410.db2.gz GJGRWHFUSJPBBC-SNVBAGLBSA-N 1 0 247.288 3.912 10 0 BHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2F)cc1 ZINC000082709621 173416040 /nfs/dbraw/zinc/41/60/40/173416040.db2.gz NMUUGXZUEAJZPT-LBPRGKRZSA-N 1 0 243.325 3.643 10 0 BHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccccc2F)c1 ZINC000082709624 173448207 /nfs/dbraw/zinc/44/82/07/173448207.db2.gz XRQFPMJKQSDEQR-SNVBAGLBSA-N 1 0 247.288 3.912 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000082721855 169394239 /nfs/dbraw/zinc/39/42/39/169394239.db2.gz PJWWUDMVMMSZLZ-LLVKDONJSA-N 1 0 242.160 3.557 10 0 BHAERO CCCSc1ccc(Cl)cc1C[NH2+]C ZINC000082722027 169341333 /nfs/dbraw/zinc/34/13/33/169341333.db2.gz HMWFVPGRVAHFDX-UHFFFAOYSA-N 1 0 229.776 3.562 10 0 BHAERO CCCSc1ccc(Cl)cc1C[NH2+]CC ZINC000082722028 169341243 /nfs/dbraw/zinc/34/12/43/169341243.db2.gz MQTQQYLTBXCYCF-UHFFFAOYSA-N 1 0 243.803 3.952 10 0 BHAERO C[NH2+]Cc1cc(Cl)ccc1SC(C)C ZINC000082722239 173387590 /nfs/dbraw/zinc/38/75/90/173387590.db2.gz GOYJDEQQFAHCKW-UHFFFAOYSA-N 1 0 229.776 3.560 10 0 BHAERO CC[NH2+]Cc1cc(Cl)ccc1SC(C)C ZINC000082722240 170125410 /nfs/dbraw/zinc/12/54/10/170125410.db2.gz TYNRXDWHYIQTQX-UHFFFAOYSA-N 1 0 243.803 3.950 10 0 BHAERO CC[NH2+]Cc1cc(Cl)ccc1SCC ZINC000082722263 170125263 /nfs/dbraw/zinc/12/52/63/170125263.db2.gz JOTONVQBDFLSGU-UHFFFAOYSA-N 1 0 229.776 3.562 10 0 BHAERO CC[NH2+]Cc1cc(C)ccc1SCC(C)C ZINC000082722381 170125266 /nfs/dbraw/zinc/12/52/66/170125266.db2.gz QOJINAPHICXCHG-UHFFFAOYSA-N 1 0 237.412 3.853 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C)c(C)cc1Cl ZINC000082726239 169393307 /nfs/dbraw/zinc/39/33/07/169393307.db2.gz XTMUDTDXLJCNQO-GFCCVEGCSA-N 1 0 211.736 3.757 10 0 BHAERO CCC[C@H]([NH3+])c1c(C)ccc2ccccc21 ZINC000082726485 169504308 /nfs/dbraw/zinc/50/43/08/169504308.db2.gz XDLUPFDWFJIHPX-AWEZNQCLSA-N 1 0 213.324 3.948 10 0 BHAERO CCC[C@@H]([NH3+])c1c(C)ccc2ccccc21 ZINC000082726486 169393328 /nfs/dbraw/zinc/39/33/28/169393328.db2.gz XDLUPFDWFJIHPX-CQSZACIVSA-N 1 0 213.324 3.948 10 0 BHAERO Cc1nc(N)ccc1-c1ccc2c(c1)CCCC2 ZINC000082730174 490300213 /nfs/dbraw/zinc/30/02/13/490300213.db2.gz FVVBOURRSPXCEJ-UHFFFAOYSA-N 1 0 238.334 3.518 10 0 BHAERO C[C@@H](CCc1ccccc1)C[NH2+]C(C)(C)C ZINC000082764238 256558911 /nfs/dbraw/zinc/55/89/11/256558911.db2.gz MTXNAHLEJFZMBB-ZDUSSCGKSA-N 1 0 219.372 3.643 10 0 BHAERO Clc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC000082794002 384717355 /nfs/dbraw/zinc/71/73/55/384717355.db2.gz IWKOGLCJUBATMW-UHFFFAOYSA-N 1 0 243.737 3.653 10 0 BHAERO Clc1ccccc1-c1cccc2c1C[NH2+]CC2 ZINC000082794077 371037515 /nfs/dbraw/zinc/03/75/15/371037515.db2.gz IQCSLWGKEXOHEW-UHFFFAOYSA-N 1 0 243.737 3.653 10 0 BHAERO Clc1ccc(-c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000082798257 384719057 /nfs/dbraw/zinc/71/90/57/384719057.db2.gz WLSMHJDVNVOZPU-UHFFFAOYSA-N 1 0 243.737 3.653 10 0 BHAERO [NH3+][C@@H](Cc1ccccc1)c1cccc(Cl)c1F ZINC000082815972 368714704 /nfs/dbraw/zinc/71/47/04/368714704.db2.gz AJZSUIALVRIRNL-ZDUSSCGKSA-N 1 0 249.716 3.722 10 0 BHAERO [NH3+][C@H](Cc1ccccc1)c1cccc(Cl)c1F ZINC000082815973 368715013 /nfs/dbraw/zinc/71/50/13/368715013.db2.gz AJZSUIALVRIRNL-CYBMUJFWSA-N 1 0 249.716 3.722 10 0 BHAERO CC(C)c1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000082926662 643388941 /nfs/dbraw/zinc/38/89/41/643388941.db2.gz VCHVYKMYIQYNJU-AWEZNQCLSA-N 1 0 203.329 3.625 10 0 BHAERO CC(C)c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000082926664 643387731 /nfs/dbraw/zinc/38/77/31/643387731.db2.gz VCHVYKMYIQYNJU-CQSZACIVSA-N 1 0 203.329 3.625 10 0 BHAERO C[C@@H]([NH3+])c1cc2cc(Cl)ccc2s1 ZINC000082964559 175816719 /nfs/dbraw/zinc/81/67/19/175816719.db2.gz JMACNLNPMMDIMG-ZCFIWIBFSA-N 1 0 211.717 3.574 10 0 BHAERO Cc1cccc2cc([C@@H]3CCCC[NH2+]3)oc21 ZINC000082968321 179226947 /nfs/dbraw/zinc/22/69/47/179226947.db2.gz UYHZYNUUNXYUBD-LBPRGKRZSA-N 1 0 215.296 3.556 10 0 BHAERO Cc1cccc2cc([C@H]3CCCC[NH2+]3)oc21 ZINC000082968324 179228622 /nfs/dbraw/zinc/22/86/22/179228622.db2.gz UYHZYNUUNXYUBD-GFCCVEGCSA-N 1 0 215.296 3.556 10 0 BHAERO CC(C)(C)c1ccc([C@@]2(C)CCC[NH2+]2)cc1 ZINC000082978260 188140345 /nfs/dbraw/zinc/14/03/45/188140345.db2.gz XLBXVFMTBXWHFN-OAHLLOKOSA-N 1 0 217.356 3.583 10 0 BHAERO [NH3+]C[C@@H](c1ccccc1)C1CCCCCC1 ZINC000082978269 181425148 /nfs/dbraw/zinc/42/51/48/181425148.db2.gz JAVQNRPUVPLOFM-OAHLLOKOSA-N 1 0 217.356 3.699 10 0 BHAERO CC(C)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000082978272 167629916 /nfs/dbraw/zinc/62/99/16/167629916.db2.gz MRWHLITUZNCTFC-UHFFFAOYSA-N 1 0 217.356 3.928 10 0 BHAERO C[C@@H](CC[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000083044161 175673482 /nfs/dbraw/zinc/67/34/82/175673482.db2.gz LOLLOXNAFVUYEN-QMMMGPOBSA-N 1 0 223.703 3.539 10 0 BHAERO C[C@@H](CC[NH3+])c1cc2cccc(Cl)c2o1 ZINC000083044172 175673214 /nfs/dbraw/zinc/67/32/14/175673214.db2.gz ZMGCPZJZMKGGHP-QMMMGPOBSA-N 1 0 223.703 3.539 10 0 BHAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000083074680 177285313 /nfs/dbraw/zinc/28/53/13/177285313.db2.gz NVIFHUWUXAEFKE-OCCSQVGLSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000083074682 176329534 /nfs/dbraw/zinc/32/95/34/176329534.db2.gz NVIFHUWUXAEFKE-JSGCOSHPSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000083074685 176329138 /nfs/dbraw/zinc/32/91/38/176329138.db2.gz NVIFHUWUXAEFKE-GXTWGEPZSA-N 1 0 231.383 3.697 10 0 BHAERO C[C@H]1C[C@@H](c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000083074691 177338713 /nfs/dbraw/zinc/33/87/13/177338713.db2.gz ZDROOMDULXLMHX-JSGCOSHPSA-N 1 0 231.383 3.840 10 0 BHAERO [NH3+]C[C@H](c1cccc(F)c1)C1CCCCCC1 ZINC000083110223 181454816 /nfs/dbraw/zinc/45/48/16/181454816.db2.gz RBKOCJUBEJXLRH-HNNXBMFYSA-N 1 0 235.346 3.838 10 0 BHAERO [NH3+]C[C@@H](c1cccc(F)c1)C1CCCCCC1 ZINC000083110224 181425154 /nfs/dbraw/zinc/42/51/54/181425154.db2.gz RBKOCJUBEJXLRH-OAHLLOKOSA-N 1 0 235.346 3.838 10 0 BHAERO [NH3+]C[C@@H](c1ccc(F)cc1)C1CCCCCC1 ZINC000083110231 181424504 /nfs/dbraw/zinc/42/45/04/181424504.db2.gz GJMHGCVBKUJGCJ-OAHLLOKOSA-N 1 0 235.346 3.838 10 0 BHAERO C[C@]1(c2cc3cccc(Cl)c3o2)CCC[NH2+]1 ZINC000083111145 177477087 /nfs/dbraw/zinc/47/70/87/177477087.db2.gz QOGVGWNJBWLLDG-CYBMUJFWSA-N 1 0 235.714 3.685 10 0 BHAERO CC[NH2+]Cc1cc2cc(Cl)cc(Cl)c2o1 ZINC000083228794 170126589 /nfs/dbraw/zinc/12/65/89/170126589.db2.gz PIGZXTUBIOFKSU-UHFFFAOYSA-N 1 0 244.121 3.849 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc2c3c(cccc31)CC2 ZINC000083230263 169394009 /nfs/dbraw/zinc/39/40/09/169394009.db2.gz TXAFIQUNGZTUDH-OAHLLOKOSA-N 1 0 225.335 3.738 10 0 BHAERO c1cc2ccc(C[NH2+]C3CCCCCC3)cc2[nH]1 ZINC000083251106 183375639 /nfs/dbraw/zinc/37/56/39/183375639.db2.gz MQPXLFUWJJYLJV-UHFFFAOYSA-N 1 0 242.366 3.980 10 0 BHAERO [NH3+]CC1(Cc2ccc(F)c(Cl)c2)CCCC1 ZINC000083263884 181360212 /nfs/dbraw/zinc/36/02/12/181360212.db2.gz RLWPXLPYQPNJIL-UHFFFAOYSA-N 1 0 241.737 3.541 10 0 BHAERO [NH3+]CC1(Cc2cc(Cl)ccc2F)CCCC1 ZINC000083264570 181360561 /nfs/dbraw/zinc/36/05/61/181360561.db2.gz SXLPIUINMLXNOR-UHFFFAOYSA-N 1 0 241.737 3.541 10 0 BHAERO COc1cc(C)cc(C)c1[C@H]([NH3+])CC(C)(C)C ZINC000083266707 174964638 /nfs/dbraw/zinc/96/46/38/174964638.db2.gz TVRABHRXVUDYNP-GFCCVEGCSA-N 1 0 235.371 3.748 10 0 BHAERO CC(C)c1cc(C2([NH3+])CCCCC2)cs1 ZINC000083321550 368762245 /nfs/dbraw/zinc/76/22/45/368762245.db2.gz JSLGNDAKIMNKOX-UHFFFAOYSA-N 1 0 223.385 3.990 10 0 BHAERO [NH3+]CCCCCc1cccc2ccccc21 ZINC000083324683 181374870 /nfs/dbraw/zinc/37/48/70/181374870.db2.gz UNZAPRWRLHDGIA-UHFFFAOYSA-N 1 0 213.324 3.511 10 0 BHAERO [NH3+]C1(c2csc(C3CCC3)n2)CCCCC1 ZINC000083337034 181335605 /nfs/dbraw/zinc/33/56/05/181335605.db2.gz XNJBSTYYMLXYCE-UHFFFAOYSA-N 1 0 236.384 3.529 10 0 BHAERO [NH3+]C1(c2csc(C3CCCC3)n2)CCCC1 ZINC000083337045 181335641 /nfs/dbraw/zinc/33/56/41/181335641.db2.gz AVVDWPWLISGBAY-UHFFFAOYSA-N 1 0 236.384 3.529 10 0 BHAERO CC(C)[C@@H]([NH3+])c1csc(-c2cccs2)n1 ZINC000083338416 167423039 /nfs/dbraw/zinc/42/30/39/167423039.db2.gz BZNPCMVHLDEJQK-SNVBAGLBSA-N 1 0 238.381 3.527 10 0 BHAERO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1C ZINC000083346827 188295506 /nfs/dbraw/zinc/29/55/06/188295506.db2.gz GSIIUYQWUBWGBQ-SNVBAGLBSA-N 1 0 211.736 3.537 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1C ZINC000083346828 171342884 /nfs/dbraw/zinc/34/28/84/171342884.db2.gz GSIIUYQWUBWGBQ-JTQLQIEISA-N 1 0 211.736 3.537 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cccc(C)c1Cl ZINC000083346830 171343343 /nfs/dbraw/zinc/34/33/43/171343343.db2.gz CWTPVVAVELOOTH-JTQLQIEISA-N 1 0 211.736 3.537 10 0 BHAERO Cc1cccc(C[NH2+]C(C)(C)C)c1Cl ZINC000083346836 179088114 /nfs/dbraw/zinc/08/81/14/179088114.db2.gz OWDJESOSXGFQDU-UHFFFAOYSA-N 1 0 211.736 3.537 10 0 BHAERO CCCCCC[NH2+]Cc1c(C)cccc1C ZINC000083350174 168667672 /nfs/dbraw/zinc/66/76/72/168667672.db2.gz BBTZSKHCPPNOLC-UHFFFAOYSA-N 1 0 219.372 3.973 10 0 BHAERO Cc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000083353048 178661813 /nfs/dbraw/zinc/66/18/13/178661813.db2.gz GEQAXFXAZLVPAM-UHFFFAOYSA-N 1 0 223.747 3.681 10 0 BHAERO Cc1cccc(C[NH2+]C2CCCC2)c1Cl ZINC000083353049 179091194 /nfs/dbraw/zinc/09/11/94/179091194.db2.gz IPCBJWYMVZQXRH-UHFFFAOYSA-N 1 0 223.747 3.681 10 0 BHAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000083358371 179037860 /nfs/dbraw/zinc/03/78/60/179037860.db2.gz RAEVFYGYTOCBAI-GOEBONIOSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C)c1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000083358372 179038436 /nfs/dbraw/zinc/03/84/36/179038436.db2.gz RAEVFYGYTOCBAI-HOCLYGCPSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000083358373 179036468 /nfs/dbraw/zinc/03/64/68/179036468.db2.gz RAEVFYGYTOCBAI-GDBMZVCRSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C)c1C[NH2+][C@H]1CCCC[C@H]1C ZINC000083358374 179038442 /nfs/dbraw/zinc/03/84/42/179038442.db2.gz RAEVFYGYTOCBAI-ZBFHGGJFSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C[NH2+]C2CCCCCC2)c1F ZINC000083362776 179090738 /nfs/dbraw/zinc/09/07/38/179090738.db2.gz APJHPFKUBZGUPV-UHFFFAOYSA-N 1 0 235.346 3.947 10 0 BHAERO CC[C@H](C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083364283 171342059 /nfs/dbraw/zinc/34/20/59/171342059.db2.gz BAZGNELLUDSXOK-VIFPVBQESA-N 1 0 236.746 3.709 10 0 BHAERO CC(C)C[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083364284 167008735 /nfs/dbraw/zinc/00/87/35/167008735.db2.gz PVZVAUBUSALONU-UHFFFAOYSA-N 1 0 236.746 3.567 10 0 BHAERO CC(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083364286 166635249 /nfs/dbraw/zinc/63/52/49/166635249.db2.gz IGEISHVXHORERX-UHFFFAOYSA-N 1 0 236.746 3.709 10 0 BHAERO Cc1cccc(C)c1C[NH2+]CCc1ccccc1 ZINC000083367368 179037109 /nfs/dbraw/zinc/03/71/09/179037109.db2.gz MGTZPSMSLGEHJD-UHFFFAOYSA-N 1 0 239.362 3.636 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083370779 176080673 /nfs/dbraw/zinc/08/06/73/176080673.db2.gz FCVCPOYVWUISPS-DOMZBBRYSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083370780 177083280 /nfs/dbraw/zinc/08/32/80/177083280.db2.gz FCVCPOYVWUISPS-WFASDCNBSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083370781 176088466 /nfs/dbraw/zinc/08/84/66/176088466.db2.gz FCVCPOYVWUISPS-IUODEOHRSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083370782 177088641 /nfs/dbraw/zinc/08/86/41/177088641.db2.gz FCVCPOYVWUISPS-SWLSCSKDSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083370783 176080912 /nfs/dbraw/zinc/08/09/12/176080912.db2.gz APXDEFOKAYRHST-DOMZBBRYSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083370784 177083424 /nfs/dbraw/zinc/08/34/24/177083424.db2.gz APXDEFOKAYRHST-WFASDCNBSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083370785 176088182 /nfs/dbraw/zinc/08/81/82/176088182.db2.gz APXDEFOKAYRHST-IUODEOHRSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083370786 177088823 /nfs/dbraw/zinc/08/88/23/177088823.db2.gz APXDEFOKAYRHST-SWLSCSKDSA-N 1 0 242.366 3.836 10 0 BHAERO Cc1cccc(C[NH2+]Cc2ccccc2)c1Cl ZINC000083374645 179095253 /nfs/dbraw/zinc/09/52/53/179095253.db2.gz ZEXWEOYXVKOHFI-UHFFFAOYSA-N 1 0 245.753 3.938 10 0 BHAERO CCCCc1nc(-c2cccc(C[NH3+])c2)cs1 ZINC000083375614 188142271 /nfs/dbraw/zinc/14/22/71/188142271.db2.gz HQAAKBFHXGAQFD-UHFFFAOYSA-N 1 0 246.379 3.611 10 0 BHAERO Oc1ccc(C[NH2+]CCC2=CCCCC2)cc1F ZINC000083380992 183270703 /nfs/dbraw/zinc/27/07/03/183270703.db2.gz AGQSCMDNWZXXOG-UHFFFAOYSA-N 1 0 249.329 3.511 10 0 BHAERO FC(F)(F)c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000083381807 398280566 /nfs/dbraw/zinc/28/05/66/398280566.db2.gz PKMOLDFFRLURDB-UHFFFAOYSA-N 1 0 249.663 3.611 10 0 BHAERO C[C@@H]([NH3+])/C=C/c1ccc(-c2ccccc2)cc1 ZINC000083592606 175793434 /nfs/dbraw/zinc/79/34/34/175793434.db2.gz VXMTUNNEQDZAIU-SBDDDAINSA-N 1 0 223.319 3.714 10 0 BHAERO Clc1ccc([C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000083619006 180585638 /nfs/dbraw/zinc/58/56/38/180585638.db2.gz YTNQPKIZKSRDST-CYBMUJFWSA-N 1 0 249.766 3.637 10 0 BHAERO CC[C@@H]1[NH2+]CCc2c(Cl)ccc(Cl)c21 ZINC000083652495 171150524 /nfs/dbraw/zinc/15/05/24/171150524.db2.gz ZFIUUEMTOKCVDV-JTQLQIEISA-N 1 0 230.138 3.590 10 0 BHAERO Oc1ccc2c(c1)[C@H](CC1CCCCC1)[NH2+]CC2 ZINC000083663893 183281860 /nfs/dbraw/zinc/28/18/60/183281860.db2.gz JUXUCAGZBHVGTI-INIZCTEOSA-N 1 0 245.366 3.549 10 0 BHAERO Oc1ccc2c(c1)[C@@H](CC1CCCCC1)[NH2+]CC2 ZINC000083663894 183280940 /nfs/dbraw/zinc/28/09/40/183280940.db2.gz JUXUCAGZBHVGTI-MRXNPFEDSA-N 1 0 245.366 3.549 10 0 BHAERO CCCc1ccc(CCCC[NH2+]CC)cc1 ZINC000083687991 169571047 /nfs/dbraw/zinc/57/10/47/169571047.db2.gz IJHBHLNWVORRFA-UHFFFAOYSA-N 1 0 219.372 3.571 10 0 BHAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000083697398 387421032 /nfs/dbraw/zinc/42/10/32/387421032.db2.gz BBEGBGYVAVNYDW-MRVPVSSYSA-N 1 0 244.165 3.882 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000083821161 538111943 /nfs/dbraw/zinc/11/19/43/538111943.db2.gz SVZUBEVKYOBFFC-JTQLQIEISA-N 1 0 223.703 3.886 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000083821163 538524857 /nfs/dbraw/zinc/52/48/57/538524857.db2.gz SVZUBEVKYOBFFC-SNVBAGLBSA-N 1 0 223.703 3.886 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000083821184 538524107 /nfs/dbraw/zinc/52/41/07/538524107.db2.gz UPLHQFLUYWEWKH-NSHDSACASA-N 1 0 203.285 3.541 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000083821185 538111841 /nfs/dbraw/zinc/11/18/41/538111841.db2.gz UPLHQFLUYWEWKH-LLVKDONJSA-N 1 0 203.285 3.541 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000083821210 538524550 /nfs/dbraw/zinc/52/45/50/538524550.db2.gz PCCZRGZVWJUJLW-NSHDSACASA-N 1 0 203.285 3.541 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000083821212 538523973 /nfs/dbraw/zinc/52/39/73/538523973.db2.gz PCCZRGZVWJUJLW-LLVKDONJSA-N 1 0 203.285 3.541 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821240 538524610 /nfs/dbraw/zinc/52/46/10/538524610.db2.gz FSEKYKBCYREOKU-NSHDSACASA-N 1 0 223.703 3.742 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821241 538523952 /nfs/dbraw/zinc/52/39/52/538523952.db2.gz FSEKYKBCYREOKU-LLVKDONJSA-N 1 0 223.703 3.742 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821251 538523676 /nfs/dbraw/zinc/52/36/76/538523676.db2.gz VQAPVIBEIWKVRF-JTQLQIEISA-N 1 0 223.703 3.886 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821253 538524215 /nfs/dbraw/zinc/52/42/15/538524215.db2.gz VQAPVIBEIWKVRF-SNVBAGLBSA-N 1 0 223.703 3.886 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cc(F)cc(F)c2o1 ZINC000083821355 538524338 /nfs/dbraw/zinc/52/43/38/538524338.db2.gz VKLUAPZPQNNGSD-JTQLQIEISA-N 1 0 225.238 3.511 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cc(F)cc(F)c2o1 ZINC000083821356 538524702 /nfs/dbraw/zinc/52/47/02/538524702.db2.gz VKLUAPZPQNNGSD-SNVBAGLBSA-N 1 0 225.238 3.511 10 0 BHAERO CCc1cccc2cc([C@H]([NH3+])C(C)C)oc21 ZINC000083821568 538524873 /nfs/dbraw/zinc/52/48/73/538524873.db2.gz NMSFZWLOEQTTEC-CYBMUJFWSA-N 1 0 217.312 3.651 10 0 BHAERO CCc1cccc2cc([C@@H]([NH3+])C(C)C)oc21 ZINC000083821569 538524301 /nfs/dbraw/zinc/52/43/01/538524301.db2.gz NMSFZWLOEQTTEC-ZDUSSCGKSA-N 1 0 217.312 3.651 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cccc(CC)c2o1 ZINC000083821575 538524114 /nfs/dbraw/zinc/52/41/14/538524114.db2.gz CWAOUXRJSTZGPB-LBPRGKRZSA-N 1 0 217.312 3.795 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cccc(CC)c2o1 ZINC000083821577 538524080 /nfs/dbraw/zinc/52/40/80/538524080.db2.gz CWAOUXRJSTZGPB-GFCCVEGCSA-N 1 0 217.312 3.795 10 0 BHAERO CCC[C@H]([NH3+])c1cc2ccc(F)c(F)c2o1 ZINC000083821668 538524846 /nfs/dbraw/zinc/52/48/46/538524846.db2.gz NBFCNKUYUSOGRE-VIFPVBQESA-N 1 0 225.238 3.511 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2ccc(F)c(F)c2o1 ZINC000083821670 538523832 /nfs/dbraw/zinc/52/38/32/538523832.db2.gz NBFCNKUYUSOGRE-SECBINFHSA-N 1 0 225.238 3.511 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821736 538523842 /nfs/dbraw/zinc/52/38/42/538523842.db2.gz JHFOFQUSNITJEU-GFCCVEGCSA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821738 538524388 /nfs/dbraw/zinc/52/43/88/538524388.db2.gz JHFOFQUSNITJEU-LBPRGKRZSA-N 1 0 221.275 3.618 10 0 BHAERO Cc1cccc2cc([C@H]([NH3+])C(C)(C)C)oc21 ZINC000083821762 538526182 /nfs/dbraw/zinc/52/61/82/538526182.db2.gz MSVTWKGNVTUXKA-ZDUSSCGKSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cccc2cc([C@@H]([NH3+])C(C)(C)C)oc21 ZINC000083821764 538525783 /nfs/dbraw/zinc/52/57/83/538525783.db2.gz MSVTWKGNVTUXKA-CYBMUJFWSA-N 1 0 217.312 3.787 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821788 538526049 /nfs/dbraw/zinc/52/60/49/538526049.db2.gz VVODSIOYLLJKPN-GFCCVEGCSA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821790 538525450 /nfs/dbraw/zinc/52/54/50/538525450.db2.gz VVODSIOYLLJKPN-LBPRGKRZSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000083863795 643627755 /nfs/dbraw/zinc/62/77/55/643627755.db2.gz HUXIROYCQRJOKO-ZIAGYGMSSA-N 1 0 219.372 3.643 10 0 BHAERO CC[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000083863796 643627348 /nfs/dbraw/zinc/62/73/48/643627348.db2.gz HUXIROYCQRJOKO-UONOGXRCSA-N 1 0 219.372 3.643 10 0 BHAERO CC[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000083863797 643626217 /nfs/dbraw/zinc/62/62/17/643626217.db2.gz HUXIROYCQRJOKO-KGLIPLIRSA-N 1 0 219.372 3.643 10 0 BHAERO CC[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000083863798 643627395 /nfs/dbraw/zinc/62/73/95/643627395.db2.gz HUXIROYCQRJOKO-KBPBESRZSA-N 1 0 219.372 3.643 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CC(C)(C)C1 ZINC000083893889 256756477 /nfs/dbraw/zinc/75/64/77/256756477.db2.gz WLSNWUIQCORSPR-YPMHNXCESA-N 1 0 209.377 3.591 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCC2CC2)CC(C)(C)C1 ZINC000083893890 384922120 /nfs/dbraw/zinc/92/21/20/384922120.db2.gz WLSNWUIQCORSPR-AAEUAGOBSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CC(C)(C)C1 ZINC000083893891 384920449 /nfs/dbraw/zinc/92/04/49/384920449.db2.gz WLSNWUIQCORSPR-DGCLKSJQSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CC(C)(C)C1 ZINC000083893892 385007298 /nfs/dbraw/zinc/00/72/98/385007298.db2.gz WLSNWUIQCORSPR-WCQYABFASA-N 1 0 209.377 3.591 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CC(C)(C)C1 ZINC000084066158 387439433 /nfs/dbraw/zinc/43/94/33/387439433.db2.gz TTWXPUVYDDMVOY-RDBSUJKOSA-N 1 0 221.388 3.900 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CC(C)(C)C1 ZINC000084066160 387439674 /nfs/dbraw/zinc/43/96/74/387439674.db2.gz TTWXPUVYDDMVOY-HZSPNIEDSA-N 1 0 221.388 3.900 10 0 BHAERO CC1CCC(C[NH2+][C@H]2CC=CCC2)CC1 ZINC000084339515 256565699 /nfs/dbraw/zinc/56/56/99/256565699.db2.gz XOADFHXHEYCUBZ-RUXDESIVSA-N 1 0 207.361 3.511 10 0 BHAERO CC1CCC(C[NH2+][C@@H]2CC=CCC2)CC1 ZINC000084339516 387445830 /nfs/dbraw/zinc/44/58/30/387445830.db2.gz XOADFHXHEYCUBZ-JXQTWKCFSA-N 1 0 207.361 3.511 10 0 BHAERO CC(C)[C@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000084423028 387448314 /nfs/dbraw/zinc/44/83/14/387448314.db2.gz PVNICQJCDLHLBM-ZDUSSCGKSA-N 1 0 223.747 3.789 10 0 BHAERO CC(C)[C@@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000084423030 387447251 /nfs/dbraw/zinc/44/72/51/387447251.db2.gz PVNICQJCDLHLBM-CYBMUJFWSA-N 1 0 223.747 3.789 10 0 BHAERO C[C@H]1CC([NH2+][C@@H]2COc3ccccc32)C[C@H](C)C1 ZINC000084469485 387447973 /nfs/dbraw/zinc/44/79/73/387447973.db2.gz RRTIGZNQWGXANB-LALPHHSUSA-N 1 0 245.366 3.534 10 0 BHAERO c1cc2c(s1)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000084495787 641359535 /nfs/dbraw/zinc/35/95/35/641359535.db2.gz GYCGFBFOZVTGCO-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000084495788 641357991 /nfs/dbraw/zinc/35/79/91/641357991.db2.gz GYCGFBFOZVTGCO-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@H]2C1CCCCC1 ZINC000084495834 641358962 /nfs/dbraw/zinc/35/89/62/641358962.db2.gz VHOZICVKYONWJA-ZDUSSCGKSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@@H]2C1CCCCC1 ZINC000084495835 641358028 /nfs/dbraw/zinc/35/80/28/641358028.db2.gz VHOZICVKYONWJA-CYBMUJFWSA-N 1 0 221.369 3.515 10 0 BHAERO [NH3+]Cc1cccc(-c2ccc(Cl)s2)c1 ZINC000084497988 355381595 /nfs/dbraw/zinc/38/15/95/355381595.db2.gz ZCIHQSMYCLKZLF-UHFFFAOYSA-N 1 0 223.728 3.527 10 0 BHAERO Clc1ccccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000084576777 538534978 /nfs/dbraw/zinc/53/49/78/538534978.db2.gz MRJGMYDLRRRXFI-GFCCVEGCSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1ccccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000084576778 538535120 /nfs/dbraw/zinc/53/51/20/538535120.db2.gz MRJGMYDLRRRXFI-LBPRGKRZSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1cccc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000084576779 538534096 /nfs/dbraw/zinc/53/40/96/538534096.db2.gz UQJLCNFMWXAIHB-GFCCVEGCSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1cccc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000084576781 538534667 /nfs/dbraw/zinc/53/46/67/538534667.db2.gz UQJLCNFMWXAIHB-LBPRGKRZSA-N 1 0 249.766 3.637 10 0 BHAERO Clc1ccc2oc(CC3CC[NH2+]CC3)cc2c1 ZINC000084918710 344486329 /nfs/dbraw/zinc/48/63/29/344486329.db2.gz GQKLSGYLECFYLQ-UHFFFAOYSA-N 1 0 249.741 3.628 10 0 BHAERO C[C@@H](CC1CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126359 384919878 /nfs/dbraw/zinc/91/98/78/384919878.db2.gz DNNBLVAPJAKJJX-GCVQQVDUSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H](CC1CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126362 384919012 /nfs/dbraw/zinc/91/90/12/384919012.db2.gz DNNBLVAPJAKJJX-OIKLOGQESA-N 1 0 249.320 3.886 10 0 BHAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133990 368861704 /nfs/dbraw/zinc/86/17/04/368861704.db2.gz QCNMDDPHPYHLHJ-NOOOWODRSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133992 368861740 /nfs/dbraw/zinc/86/17/40/368861740.db2.gz QCNMDDPHPYHLHJ-FIQHERPVSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133994 368863627 /nfs/dbraw/zinc/86/36/27/368863627.db2.gz QCNMDDPHPYHLHJ-WRWGMCAJSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133996 368863001 /nfs/dbraw/zinc/86/30/01/368863001.db2.gz QCNMDDPHPYHLHJ-NNYUYHANSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085134102 356159405 /nfs/dbraw/zinc/15/94/05/356159405.db2.gz RLUAPYMDLZYNDB-ZMLRMANQSA-N 1 0 249.320 3.886 10 0 BHAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085134105 356160192 /nfs/dbraw/zinc/16/01/92/356160192.db2.gz RLUAPYMDLZYNDB-ADEWGFFLSA-N 1 0 249.320 3.886 10 0 BHAERO CC(C)c1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000085220328 356212647 /nfs/dbraw/zinc/21/26/47/356212647.db2.gz NPQICEFTXKYSPD-UHFFFAOYSA-N 1 0 223.747 3.715 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)S1 ZINC000085300954 176330614 /nfs/dbraw/zinc/33/06/14/176330614.db2.gz UTWXVZMJASPCEF-LHLIQPBNSA-N 1 0 248.178 3.717 10 0 BHAERO C[C@H]1C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)S1 ZINC000085300959 188270527 /nfs/dbraw/zinc/27/05/27/188270527.db2.gz UTWXVZMJASPCEF-QUBYGPBYSA-N 1 0 248.178 3.717 10 0 BHAERO CC(C)(C)COc1ccc2ccccc2c1C[NH3+] ZINC000085391364 518670469 /nfs/dbraw/zinc/67/04/69/518670469.db2.gz TZXYELDWYRNCTR-UHFFFAOYSA-N 1 0 243.350 3.723 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433321 167383137 /nfs/dbraw/zinc/38/31/37/167383137.db2.gz IZXUGMSENHMQKZ-MNOVXSKESA-N 1 0 248.395 3.991 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433322 188143457 /nfs/dbraw/zinc/14/34/57/188143457.db2.gz IZXUGMSENHMQKZ-QWRGUYRKSA-N 1 0 248.395 3.991 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433323 167386085 /nfs/dbraw/zinc/38/60/85/167386085.db2.gz IZXUGMSENHMQKZ-GHMZBOCLSA-N 1 0 248.395 3.991 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433324 187285650 /nfs/dbraw/zinc/28/56/50/187285650.db2.gz IZXUGMSENHMQKZ-WDEREUQCSA-N 1 0 248.395 3.991 10 0 BHAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000085578815 387075006 /nfs/dbraw/zinc/07/50/06/387075006.db2.gz WQRBHDGMMHZRQY-JTQLQIEISA-N 1 0 234.730 3.519 10 0 BHAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000085578817 387074568 /nfs/dbraw/zinc/07/45/68/387074568.db2.gz WQRBHDGMMHZRQY-SNVBAGLBSA-N 1 0 234.730 3.519 10 0 BHAERO CCn1cccc1C[NH2+]C(CC)(CC)CC ZINC000085609947 256774577 /nfs/dbraw/zinc/77/45/77/256774577.db2.gz MZIYDZMJOWSOBX-UHFFFAOYSA-N 1 0 222.376 3.566 10 0 BHAERO Cc1ccccc1[C@@H](C)NC/C(Cl)=C/Cl ZINC000085978383 643870126 /nfs/dbraw/zinc/87/01/26/643870126.db2.gz ROWDSDCDHUWZJY-PAKSIRSJSA-N 1 0 244.165 3.965 10 0 BHAERO Cc1ccccc1[C@H](C)NC/C(Cl)=C/Cl ZINC000085978387 643870328 /nfs/dbraw/zinc/87/03/28/643870328.db2.gz ROWDSDCDHUWZJY-QBQSQJOESA-N 1 0 244.165 3.965 10 0 BHAERO CC[NH2+][C@@H]1CC[C@H](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC000086064302 170154189 /nfs/dbraw/zinc/15/41/89/170154189.db2.gz QDBUSXOAGSWKPL-USXIJHARSA-N 1 0 245.410 3.870 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000086118322 344211943 /nfs/dbraw/zinc/21/19/43/344211943.db2.gz NOEAUCGCYVSTGZ-SDDRHHMPSA-N 1 0 249.320 3.886 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000086118325 358341990 /nfs/dbraw/zinc/34/19/90/358341990.db2.gz NOEAUCGCYVSTGZ-QJPTWQEYSA-N 1 0 249.320 3.886 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332297 535166404 /nfs/dbraw/zinc/16/64/04/535166404.db2.gz ZCCWTSBLGBISRY-MRVPVSSYSA-N 1 0 217.765 3.536 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332299 135491250 /nfs/dbraw/zinc/49/12/50/135491250.db2.gz ZCCWTSBLGBISRY-QMMMGPOBSA-N 1 0 217.765 3.536 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(Cl)cs1)C(C)C ZINC000086332600 387521356 /nfs/dbraw/zinc/52/13/56/387521356.db2.gz GJMARVCZLDBOCP-NSHDSACASA-N 1 0 231.792 3.926 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)C(C)C ZINC000086332601 387521060 /nfs/dbraw/zinc/52/10/60/387521060.db2.gz GJMARVCZLDBOCP-LLVKDONJSA-N 1 0 231.792 3.926 10 0 BHAERO c1cc2cc(NC3=[NH+]CCC3)ccc2s1 ZINC000086455921 351121150 /nfs/dbraw/zinc/12/11/50/351121150.db2.gz JYBXDCLTIPYZDQ-UHFFFAOYSA-N 1 0 216.309 3.506 10 0 BHAERO CC[NH2+]Cc1ccc(Cl)c2ccccc12 ZINC000086558766 170126458 /nfs/dbraw/zinc/12/64/58/170126458.db2.gz PYINHAICUVJPTQ-UHFFFAOYSA-N 1 0 219.715 3.603 10 0 BHAERO CC[C@H](Nc1ccncc1Cl)C(C)C ZINC000086831248 385050302 /nfs/dbraw/zinc/05/03/02/385050302.db2.gz OUVBPCQXXRIDGY-JTQLQIEISA-N 1 0 212.724 3.582 10 0 BHAERO CC[C@@H](Nc1ccncc1Cl)C(C)C ZINC000086831249 385052932 /nfs/dbraw/zinc/05/29/32/385052932.db2.gz OUVBPCQXXRIDGY-SNVBAGLBSA-N 1 0 212.724 3.582 10 0 BHAERO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000086842142 385051088 /nfs/dbraw/zinc/05/10/88/385051088.db2.gz IPLWVOHIPBMSAI-AWEZNQCLSA-N 1 0 217.356 3.745 10 0 BHAERO CC1(C)CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000086842145 385051260 /nfs/dbraw/zinc/05/12/60/385051260.db2.gz IPLWVOHIPBMSAI-CQSZACIVSA-N 1 0 217.356 3.745 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086890199 644265236 /nfs/dbraw/zinc/26/52/36/644265236.db2.gz YNEBYRPVHYXFTA-VNHYZAJKSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086890203 644265273 /nfs/dbraw/zinc/26/52/73/644265273.db2.gz YNEBYRPVHYXFTA-UMVBOHGHSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893967 487580703 /nfs/dbraw/zinc/58/07/03/487580703.db2.gz VTKUTHMZEHUHEC-KGLIPLIRSA-N 1 0 232.371 3.530 10 0 BHAERO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893968 487580402 /nfs/dbraw/zinc/58/04/02/487580402.db2.gz VTKUTHMZEHUHEC-KBPBESRZSA-N 1 0 232.371 3.530 10 0 BHAERO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893969 487580908 /nfs/dbraw/zinc/58/09/08/487580908.db2.gz VTKUTHMZEHUHEC-ZIAGYGMSSA-N 1 0 232.371 3.530 10 0 BHAERO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893970 487580722 /nfs/dbraw/zinc/58/07/22/487580722.db2.gz VTKUTHMZEHUHEC-UONOGXRCSA-N 1 0 232.371 3.530 10 0 BHAERO CC1(C)CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893971 487580598 /nfs/dbraw/zinc/58/05/98/487580598.db2.gz HVBRNIYERJTHLW-ZDUSSCGKSA-N 1 0 232.371 3.530 10 0 BHAERO CC1(C)CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000086893972 487580939 /nfs/dbraw/zinc/58/09/39/487580939.db2.gz HVBRNIYERJTHLW-CYBMUJFWSA-N 1 0 232.371 3.530 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000086896511 491126948 /nfs/dbraw/zinc/12/69/48/491126948.db2.gz NVVLNEMFYVKPLX-GFCCVEGCSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000086896513 491065068 /nfs/dbraw/zinc/06/50/68/491065068.db2.gz NVVLNEMFYVKPLX-LBPRGKRZSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282631 388517540 /nfs/dbraw/zinc/51/75/40/388517540.db2.gz GOZCTCUWACYJOU-ZJUUUORDSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282633 256801738 /nfs/dbraw/zinc/80/17/38/256801738.db2.gz GOZCTCUWACYJOU-UWVGGRQHSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282635 388516993 /nfs/dbraw/zinc/51/69/93/388516993.db2.gz GOZCTCUWACYJOU-NXEZZACHSA-N 1 0 227.298 3.660 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282637 384022305 /nfs/dbraw/zinc/02/23/05/384022305.db2.gz GOZCTCUWACYJOU-VHSXEESVSA-N 1 0 227.298 3.660 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1F ZINC000087284230 385090690 /nfs/dbraw/zinc/09/06/90/385090690.db2.gz OAMCULPLLXYFIA-NWDGAFQWSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1F ZINC000087284231 385090496 /nfs/dbraw/zinc/09/04/96/385090496.db2.gz OAMCULPLLXYFIA-RYUDHWBXSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1F ZINC000087284232 256571885 /nfs/dbraw/zinc/57/18/85/256571885.db2.gz OAMCULPLLXYFIA-VXGBXAGGSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1F ZINC000087284233 385089296 /nfs/dbraw/zinc/08/92/96/385089296.db2.gz OAMCULPLLXYFIA-NEPJUHHUSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1F ZINC000087284253 385088152 /nfs/dbraw/zinc/08/81/52/385088152.db2.gz MTKRTMPZPUNKCV-QWRGUYRKSA-N 1 0 221.319 3.583 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1F ZINC000087284255 385089544 /nfs/dbraw/zinc/08/95/44/385089544.db2.gz MTKRTMPZPUNKCV-MNOVXSKESA-N 1 0 221.319 3.583 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]Cc2cscc2C)C1 ZINC000087309500 135121621 /nfs/dbraw/zinc/12/16/21/135121621.db2.gz CPHJTEVSEQRGEF-YPMHNXCESA-N 1 0 223.385 3.725 10 0 BHAERO CC[C@H]1CC[C@H]([NH2+]Cc2cscc2C)C1 ZINC000087309501 135121944 /nfs/dbraw/zinc/12/19/44/135121944.db2.gz CPHJTEVSEQRGEF-AAEUAGOBSA-N 1 0 223.385 3.725 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2cscc2C)C1 ZINC000087309502 135122209 /nfs/dbraw/zinc/12/22/09/135122209.db2.gz CPHJTEVSEQRGEF-DGCLKSJQSA-N 1 0 223.385 3.725 10 0 BHAERO CC[C@H]1CC[C@@H]([NH2+]Cc2cscc2C)C1 ZINC000087309503 536094082 /nfs/dbraw/zinc/09/40/82/536094082.db2.gz CPHJTEVSEQRGEF-WCQYABFASA-N 1 0 223.385 3.725 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)CC(C)(C)C1 ZINC000087473262 384151034 /nfs/dbraw/zinc/15/10/34/384151034.db2.gz BSMBRHPNRPTWCL-AGIUHOORSA-N 1 0 241.444 3.686 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)CC(C)(C)C1 ZINC000087473264 384151874 /nfs/dbraw/zinc/15/18/74/384151874.db2.gz BSMBRHPNRPTWCL-UPJWGTAASA-N 1 0 241.444 3.686 10 0 BHAERO CC1([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000087551266 367008300 /nfs/dbraw/zinc/00/83/00/367008300.db2.gz DHRGRLONDSQUOW-JTQLQIEISA-N 1 0 229.245 3.505 10 0 BHAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CCS2 ZINC000087602447 538568657 /nfs/dbraw/zinc/56/86/57/538568657.db2.gz PEQMFCNMRUZIRN-UHFFFAOYSA-N 1 0 227.417 3.646 10 0 BHAERO CC[NH2+]CCCCc1c(C)c(C)cc(C)c1C ZINC000087730097 170112715 /nfs/dbraw/zinc/11/27/15/170112715.db2.gz JJYSKZIHILKTKI-UHFFFAOYSA-N 1 0 233.399 3.852 10 0 BHAERO Cc1cc(C)c(C)c(CCCC[NH2+]C2CC2)c1C ZINC000087730098 177852942 /nfs/dbraw/zinc/85/29/42/177852942.db2.gz AZXMJOPOHPPKSY-UHFFFAOYSA-N 1 0 245.410 3.995 10 0 BHAERO CCCCc1ccc(CCCC[NH2+]CC)cc1 ZINC000087730142 169020485 /nfs/dbraw/zinc/02/04/85/169020485.db2.gz KKJFDMSKTUHAGV-UHFFFAOYSA-N 1 0 233.399 3.961 10 0 BHAERO CC[NH2+]CCCCc1ccc(CC(C)C)cc1 ZINC000087730168 170112628 /nfs/dbraw/zinc/11/26/28/170112628.db2.gz IHKNPMRVVYPUFB-UHFFFAOYSA-N 1 0 233.399 3.817 10 0 BHAERO CC(C)[NH2+]CCCCc1ccc2c(c1)CCCC2 ZINC000087730173 167102398 /nfs/dbraw/zinc/10/23/98/167102398.db2.gz GECFBIRMZZENMH-UHFFFAOYSA-N 1 0 245.410 3.886 10 0 BHAERO c1cc2c(cc1CCCC[NH2+]C1CC1)CCCC2 ZINC000087730176 183367021 /nfs/dbraw/zinc/36/70/21/183367021.db2.gz VEDJVXWFXDRUNO-UHFFFAOYSA-N 1 0 243.394 3.640 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccs1 ZINC000087769660 384963130 /nfs/dbraw/zinc/96/31/30/384963130.db2.gz UUHDJOQNHGPUGP-WDEREUQCSA-N 1 0 223.385 3.977 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccs1 ZINC000087769661 384963554 /nfs/dbraw/zinc/96/35/54/384963554.db2.gz UUHDJOQNHGPUGP-GHMZBOCLSA-N 1 0 223.385 3.977 10 0 BHAERO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccs1 ZINC000087769663 256531510 /nfs/dbraw/zinc/53/15/10/256531510.db2.gz UUHDJOQNHGPUGP-QWRGUYRKSA-N 1 0 223.385 3.977 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccs1 ZINC000087769665 384960470 /nfs/dbraw/zinc/96/04/70/384960470.db2.gz UUHDJOQNHGPUGP-MNOVXSKESA-N 1 0 223.385 3.977 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816451 383867892 /nfs/dbraw/zinc/86/78/92/383867892.db2.gz XGTJDJYXADEBQH-KMUNFCNLSA-N 1 0 240.350 3.543 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816453 385090356 /nfs/dbraw/zinc/09/03/56/385090356.db2.gz XGTJDJYXADEBQH-VCTAVGKDSA-N 1 0 240.350 3.543 10 0 BHAERO CC(C)[NH2+]CCCCc1ccc(F)c(Cl)c1 ZINC000088046934 167102170 /nfs/dbraw/zinc/10/21/70/167102170.db2.gz FDQMOSIEBJXDER-UHFFFAOYSA-N 1 0 243.753 3.800 10 0 BHAERO CC[NH2+]CCCc1ccc(-c2ccccc2)cc1 ZINC000088150531 170113547 /nfs/dbraw/zinc/11/35/47/170113547.db2.gz YPUSSIJAWRQPOM-UHFFFAOYSA-N 1 0 239.362 3.896 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)C1CC1 ZINC000088163092 410032122 /nfs/dbraw/zinc/03/21/22/410032122.db2.gz QDJPXUCPAUSMIO-RYUDHWBXSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)C1CC1 ZINC000088163093 410031943 /nfs/dbraw/zinc/03/19/43/410031943.db2.gz QDJPXUCPAUSMIO-NWDGAFQWSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CC1)C1CCCCCC1 ZINC000088163201 642504846 /nfs/dbraw/zinc/50/48/46/642504846.db2.gz QDJPXUCPAUSMIO-NEPJUHHUSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]([NH2+][C@H](C)C1CCCCCC1)C1CC1 ZINC000088163202 642505339 /nfs/dbraw/zinc/50/53/39/642505339.db2.gz QDJPXUCPAUSMIO-VXGBXAGGSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000088195062 644513069 /nfs/dbraw/zinc/51/30/69/644513069.db2.gz AVBATEANAXSKBK-ZBFHGGJFSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@H]1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000088195063 641322389 /nfs/dbraw/zinc/32/23/89/641322389.db2.gz AVBATEANAXSKBK-HOCLYGCPSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@@H]1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000088195064 641322224 /nfs/dbraw/zinc/32/22/24/641322224.db2.gz AVBATEANAXSKBK-GDBMZVCRSA-N 1 0 231.383 3.645 10 0 BHAERO C[C@H]1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000088195065 641321985 /nfs/dbraw/zinc/32/19/85/641321985.db2.gz AVBATEANAXSKBK-GOEBONIOSA-N 1 0 231.383 3.645 10 0 BHAERO c1coc([C@@H]([NH2+]CCC2CC2)c2ccccc2)c1 ZINC000088455061 256749318 /nfs/dbraw/zinc/74/93/18/256749318.db2.gz QVPWVZWSNIXFTD-INIZCTEOSA-N 1 0 241.334 3.759 10 0 BHAERO C(=C/c1cn2ccccc2n1)\Cc1ccccc1 ZINC000089200890 188144421 /nfs/dbraw/zinc/14/44/21/188144421.db2.gz VZOMCIJNFUKGFD-UXBLZVDNSA-N 1 0 234.302 3.590 10 0 BHAERO CCC[C@H]([NH3+])c1c[nH]c2c1cccc2CC ZINC000089204027 169504384 /nfs/dbraw/zinc/50/43/84/169504384.db2.gz VNQFGOLZAXWLGC-ZDUSSCGKSA-N 1 0 216.328 3.530 10 0 BHAERO CCC[C@@H]([NH3+])c1c[nH]c2c1cccc2CC ZINC000089204028 169392658 /nfs/dbraw/zinc/39/26/58/169392658.db2.gz VNQFGOLZAXWLGC-CYBMUJFWSA-N 1 0 216.328 3.530 10 0 BHAERO Cc1ccc(-c2[nH+]ccc3[nH]ccc32)cc1 ZINC000089220557 178338133 /nfs/dbraw/zinc/33/81/33/178338133.db2.gz JAKIZOVPTACXFX-UHFFFAOYSA-N 1 0 208.264 3.538 10 0 BHAERO Cc1cccc(-c2[nH+]ccc3[nH]ccc32)c1 ZINC000089220559 178998343 /nfs/dbraw/zinc/99/83/43/178998343.db2.gz PPLXQGPYRBDYGY-UHFFFAOYSA-N 1 0 208.264 3.538 10 0 BHAERO Clc1cccc(Nc2[nH+]ccc3[nH]ccc32)c1 ZINC000089220686 383949991 /nfs/dbraw/zinc/94/99/91/383949991.db2.gz OJHCPZFNHCBKPK-UHFFFAOYSA-N 1 0 243.697 3.960 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1OC ZINC000090174983 384032473 /nfs/dbraw/zinc/03/24/73/384032473.db2.gz QXRNOFJUABVMIP-SCRDCRAPSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1OC ZINC000090174987 256581034 /nfs/dbraw/zinc/58/10/34/256581034.db2.gz QXRNOFJUABVMIP-OUCADQQQSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccnc1Cl ZINC000090175659 169433147 /nfs/dbraw/zinc/43/31/47/169433147.db2.gz YFHCDLPHAXRTFC-UMNHJUIQSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccnc1Cl ZINC000090175663 384031654 /nfs/dbraw/zinc/03/16/54/384031654.db2.gz YFHCDLPHAXRTFC-HOSYDEDBSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000090176025 644583610 /nfs/dbraw/zinc/58/36/10/644583610.db2.gz BNDQXCYZYQTURY-WCQGTBRESA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000090176029 644583178 /nfs/dbraw/zinc/58/31/78/644583178.db2.gz BNDQXCYZYQTURY-MVWJERBFSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000090176049 398270327 /nfs/dbraw/zinc/27/03/27/398270327.db2.gz YPVPZWRSWXEXPM-AXFHLTTASA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000090176054 256558381 /nfs/dbraw/zinc/55/83/81/256558381.db2.gz YPVPZWRSWXEXPM-HBNTYKKESA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090176214 256580955 /nfs/dbraw/zinc/58/09/55/256580955.db2.gz HUGBCBVAEDQZRV-LNSITVRQSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090176217 256558274 /nfs/dbraw/zinc/55/82/74/256558274.db2.gz HUGBCBVAEDQZRV-NJZAAPMLSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000090176295 398270520 /nfs/dbraw/zinc/27/05/20/398270520.db2.gz VAPRHZSUZYVNOJ-UMNHJUIQSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000090176299 398270536 /nfs/dbraw/zinc/27/05/36/398270536.db2.gz VAPRHZSUZYVNOJ-HOSYDEDBSA-N 1 0 209.358 3.587 10 0 BHAERO CCC1CCC([NH2+]Cc2cncn2C(C)C)CC1 ZINC000090208768 360064931 /nfs/dbraw/zinc/06/49/31/360064931.db2.gz QLMNPOOXRHEQPO-UHFFFAOYSA-N 1 0 249.402 3.522 10 0 BHAERO [NH3+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000090225748 384036146 /nfs/dbraw/zinc/03/61/46/384036146.db2.gz UFNZLQSUZBZPGP-SNVBAGLBSA-N 1 0 249.663 3.769 10 0 BHAERO [NH3+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000090225749 384035947 /nfs/dbraw/zinc/03/59/47/384035947.db2.gz UFNZLQSUZBZPGP-JTQLQIEISA-N 1 0 249.663 3.769 10 0 BHAERO CC(C)C1(C[NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000090230413 631239943 /nfs/dbraw/zinc/23/99/43/631239943.db2.gz JMSDQMBIWUWOME-CQSZACIVSA-N 1 0 245.366 3.536 10 0 BHAERO CC(C)C1(C[NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000090230414 537955816 /nfs/dbraw/zinc/95/58/16/537955816.db2.gz JMSDQMBIWUWOME-AWEZNQCLSA-N 1 0 245.366 3.536 10 0 BHAERO C/C(c1cc(C)c(C)[nH]1)=C1\C=C(C)C(C)=[NH+]1 ZINC000090375250 168090012 /nfs/dbraw/zinc/09/00/12/168090012.db2.gz XGMVRVKYMFNFCF-UVTDQMKNSA-N 1 0 214.312 3.783 10 0 BHAERO C[C@H]([NH2+][C@H]1C=CCCC1)c1cccs1 ZINC000090393427 353387516 /nfs/dbraw/zinc/38/75/16/353387516.db2.gz DHUIHDONLIHRGI-QWRGUYRKSA-N 1 0 207.342 3.507 10 0 BHAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccs1 ZINC000090393429 136227316 /nfs/dbraw/zinc/22/73/16/136227316.db2.gz DHUIHDONLIHRGI-WDEREUQCSA-N 1 0 207.342 3.507 10 0 BHAERO C=Cc1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000090735135 384072635 /nfs/dbraw/zinc/07/26/35/384072635.db2.gz JWYLTITZINZIEO-UHFFFAOYSA-N 1 0 235.330 3.845 10 0 BHAERO c1ccc(C[NH2+][C@H]2CCC=CCCC2)cc1 ZINC000090751038 188271352 /nfs/dbraw/zinc/27/13/52/188271352.db2.gz AHHHTZSTGCZQLP-HNNXBMFYSA-N 1 0 215.340 3.665 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CCC=CCCC2)cc1 ZINC000090751039 188451820 /nfs/dbraw/zinc/45/18/20/188451820.db2.gz AHHHTZSTGCZQLP-OAHLLOKOSA-N 1 0 215.340 3.665 10 0 BHAERO c1ccc(C2=C[N@H+]3CCCC[C@@H]3CC2)cc1 ZINC000090755284 368995878 /nfs/dbraw/zinc/99/58/78/368995878.db2.gz AMNIUADSZBSURC-OAHLLOKOSA-N 1 0 213.324 3.676 10 0 BHAERO c1ccc(C2=C[N@H+]3CCCC[C@H]3CC2)cc1 ZINC000090755285 368996607 /nfs/dbraw/zinc/99/66/07/368996607.db2.gz AMNIUADSZBSURC-HNNXBMFYSA-N 1 0 213.324 3.676 10 0 BHAERO CCC(CC)(CC)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090976839 383922469 /nfs/dbraw/zinc/92/24/69/383922469.db2.gz CFOLTJQOZIJBSA-AWEZNQCLSA-N 1 0 231.383 3.885 10 0 BHAERO CCC(CC)(CC)[NH2+]C[C@H]1Cc2ccccc21 ZINC000090976840 383923283 /nfs/dbraw/zinc/92/32/83/383923283.db2.gz CFOLTJQOZIJBSA-CQSZACIVSA-N 1 0 231.383 3.885 10 0 BHAERO CCCn1ccc(C[NH2+]C2CCC(C)CC2)c1 ZINC000091009239 135558595 /nfs/dbraw/zinc/55/85/95/135558595.db2.gz QPYLMTBWEONABC-UHFFFAOYSA-N 1 0 234.387 3.566 10 0 BHAERO CCCn1ccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000091009899 135558438 /nfs/dbraw/zinc/55/84/38/135558438.db2.gz ZOILHSAHSUJXDA-GFCCVEGCSA-N 1 0 248.395 3.810 10 0 BHAERO CCCn1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000091010150 135558684 /nfs/dbraw/zinc/55/86/84/135558684.db2.gz QIJKDBPSRJOQSE-DZGCQCFKSA-N 1 0 234.387 3.566 10 0 BHAERO CCCn1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000091010154 135558717 /nfs/dbraw/zinc/55/87/17/135558717.db2.gz QIJKDBPSRJOQSE-HIFRSBDPSA-N 1 0 234.387 3.566 10 0 BHAERO CCCn1ccc(C[NH2+]CC2CCCCC2)c1 ZINC000091010155 256582361 /nfs/dbraw/zinc/58/23/61/256582361.db2.gz TXMWNOGPGIGJJT-UHFFFAOYSA-N 1 0 234.387 3.568 10 0 BHAERO CCCn1ccc(C[NH2+]CC2(C)CCCC2)c1 ZINC000091015811 135558368 /nfs/dbraw/zinc/55/83/68/135558368.db2.gz PKPPKWAZVFRLFL-UHFFFAOYSA-N 1 0 234.387 3.568 10 0 BHAERO CCCn1ccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000091015841 135558708 /nfs/dbraw/zinc/55/87/08/135558708.db2.gz ZBDISEHRZIBNDV-ZDUSSCGKSA-N 1 0 234.387 3.566 10 0 BHAERO CCCn1ccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000091015842 135558642 /nfs/dbraw/zinc/55/86/42/135558642.db2.gz ZBDISEHRZIBNDV-CYBMUJFWSA-N 1 0 234.387 3.566 10 0 BHAERO CCCn1ccc(C[NH2+][C@@H](C)C[C@H](C)CC)c1 ZINC000091015989 256575870 /nfs/dbraw/zinc/57/58/70/256575870.db2.gz KEUAHISKPQZQOC-KGLIPLIRSA-N 1 0 236.403 3.812 10 0 BHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccccc1C ZINC000091022845 172209058 /nfs/dbraw/zinc/20/90/58/172209058.db2.gz WBGMTIDAJIHGKA-AWEZNQCLSA-N 1 0 242.366 3.667 10 0 BHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000091025498 172209744 /nfs/dbraw/zinc/20/97/44/172209744.db2.gz XSWNJBJSPPLQLW-AWEZNQCLSA-N 1 0 242.366 3.667 10 0 BHAERO CCCC[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000091261811 631869441 /nfs/dbraw/zinc/86/94/41/631869441.db2.gz LDSKJGRMPIDITI-LBPRGKRZSA-N 1 0 245.370 3.507 10 0 BHAERO CCCC[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000091261812 631869074 /nfs/dbraw/zinc/86/90/74/631869074.db2.gz LDSKJGRMPIDITI-GFCCVEGCSA-N 1 0 245.370 3.507 10 0 BHAERO C[C@@H](c1ccncc1)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000091364228 176036200 /nfs/dbraw/zinc/03/62/00/176036200.db2.gz KOBYZHUJWDWMRK-HZMBPMFUSA-N 1 0 246.741 3.539 10 0 BHAERO C[C@H](c1ccncc1)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000091364229 177051726 /nfs/dbraw/zinc/05/17/26/177051726.db2.gz KOBYZHUJWDWMRK-YGRLFVJLSA-N 1 0 246.741 3.539 10 0 BHAERO C[C@@H](c1ccncc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000091364230 176036279 /nfs/dbraw/zinc/03/62/79/176036279.db2.gz KOBYZHUJWDWMRK-IINYFYTJSA-N 1 0 246.741 3.539 10 0 BHAERO C[C@H](c1ccncc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000091364231 177051064 /nfs/dbraw/zinc/05/10/64/177051064.db2.gz KOBYZHUJWDWMRK-QMTHXVAHSA-N 1 0 246.741 3.539 10 0 BHAERO Cc1ccc(C)c(-c2ccc(C[NH3+])cc2C)c1 ZINC000091473048 488054184 /nfs/dbraw/zinc/05/41/84/488054184.db2.gz FPQIKYJHJHVNQP-UHFFFAOYSA-N 1 0 225.335 3.738 10 0 BHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(C)C)CCC2 ZINC000092383492 387211483 /nfs/dbraw/zinc/21/14/83/387211483.db2.gz AGECZEQXMXLBRN-MLGOLLRUSA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(C)C)CCC2 ZINC000092383493 387210998 /nfs/dbraw/zinc/21/09/98/387210998.db2.gz AGECZEQXMXLBRN-BLLLJJGKSA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(C)C)CCC2 ZINC000092383494 387210904 /nfs/dbraw/zinc/21/09/04/387210904.db2.gz AGECZEQXMXLBRN-WBMJQRKESA-N 1 0 247.382 3.707 10 0 BHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)C)CCC2 ZINC000092383495 360165716 /nfs/dbraw/zinc/16/57/16/360165716.db2.gz AGECZEQXMXLBRN-LRDDRELGSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCc2ccc(OC)cc21)C(C)C ZINC000092836760 385150726 /nfs/dbraw/zinc/15/07/26/385150726.db2.gz IRAVVCUMFVAIMH-JKSUJKDBSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCc2ccc(OC)cc21)C(C)C ZINC000092836762 385150549 /nfs/dbraw/zinc/15/05/49/385150549.db2.gz IRAVVCUMFVAIMH-HZPDHXFCSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCc2ccc(OC)cc21)C(C)C ZINC000092836764 385151472 /nfs/dbraw/zinc/15/14/72/385151472.db2.gz IRAVVCUMFVAIMH-HOTGVXAUSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCc2ccc(OC)cc21)C(C)C ZINC000092836766 385152323 /nfs/dbraw/zinc/15/23/23/385152323.db2.gz IRAVVCUMFVAIMH-CVEARBPZSA-N 1 0 247.382 3.707 10 0 BHAERO c1coc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000093325257 360231227 /nfs/dbraw/zinc/23/12/27/360231227.db2.gz LGFYXBPZLPOPGZ-KBPBESRZSA-N 1 0 231.339 3.773 10 0 BHAERO c1coc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000093325258 360231310 /nfs/dbraw/zinc/23/13/10/360231310.db2.gz LGFYXBPZLPOPGZ-UONOGXRCSA-N 1 0 231.339 3.773 10 0 BHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccco2)o1 ZINC000093443853 360244851 /nfs/dbraw/zinc/24/48/51/360244851.db2.gz OHBGPJFOMPUEHU-AWEZNQCLSA-N 1 0 245.322 3.908 10 0 BHAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccco2)o1 ZINC000093443854 360244052 /nfs/dbraw/zinc/24/40/52/360244052.db2.gz OHBGPJFOMPUEHU-CQSZACIVSA-N 1 0 245.322 3.908 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000094306216 360303169 /nfs/dbraw/zinc/30/31/69/360303169.db2.gz XZXZEDOFONJKBO-HIFRSBDPSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000094306217 360303006 /nfs/dbraw/zinc/30/30/06/360303006.db2.gz XZXZEDOFONJKBO-UKRRQHHQSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000094306218 360302678 /nfs/dbraw/zinc/30/26/78/360302678.db2.gz XZXZEDOFONJKBO-ZFWWWQNUSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000094306219 535309416 /nfs/dbraw/zinc/30/94/16/535309416.db2.gz XZXZEDOFONJKBO-DZGCQCFKSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000094308225 386942023 /nfs/dbraw/zinc/94/20/23/386942023.db2.gz JZVFTELFGCXVFG-KFWWJZLASA-N 1 0 229.367 3.711 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000094308227 262765644 /nfs/dbraw/zinc/76/56/44/262765644.db2.gz JZVFTELFGCXVFG-ILXRZTDVSA-N 1 0 229.367 3.711 10 0 BHAERO CCOc1cccc(-c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000094933489 644733035 /nfs/dbraw/zinc/73/30/35/644733035.db2.gz JXTFWURGJLHTIO-GFCCVEGCSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1cccc(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000094933490 644733074 /nfs/dbraw/zinc/73/30/74/644733074.db2.gz JXTFWURGJLHTIO-LBPRGKRZSA-N 1 0 241.334 3.772 10 0 BHAERO CCOc1cccc(-c2ccc(C[NH3+])cc2C)c1 ZINC000094933553 644734757 /nfs/dbraw/zinc/73/47/57/644734757.db2.gz BHYVHNXYYDBSIL-UHFFFAOYSA-N 1 0 241.334 3.519 10 0 BHAERO c1ccc(-c2ccc(NC3=[NH+]CCC3)cc2)cc1 ZINC000095081800 183380028 /nfs/dbraw/zinc/38/00/28/183380028.db2.gz KBOPSUKVXPHFEP-UHFFFAOYSA-N 1 0 236.318 3.958 10 0 BHAERO c1cc(NC2=[NH+]CCCCC2)cc2c1CCC2 ZINC000095081802 183369015 /nfs/dbraw/zinc/36/90/15/183369015.db2.gz OBAICJGMTWQTHW-UHFFFAOYSA-N 1 0 228.339 3.560 10 0 BHAERO c1ccc2c(c1)CCC[C@@H]2NC1=[NH+]CCCCC1 ZINC000095081803 183441385 /nfs/dbraw/zinc/44/13/85/183441385.db2.gz IZMGNSJTHGZIRM-HNNXBMFYSA-N 1 0 242.366 3.626 10 0 BHAERO c1ccc2c(c1)CCC[C@H]2NC1=[NH+]CCCCC1 ZINC000095081804 384357654 /nfs/dbraw/zinc/35/76/54/384357654.db2.gz IZMGNSJTHGZIRM-OAHLLOKOSA-N 1 0 242.366 3.626 10 0 BHAERO Cc1ccccc1[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000095081928 179343465 /nfs/dbraw/zinc/34/34/65/179343465.db2.gz FHMFWGCHEHLJFF-QGZVFWFLSA-N 1 0 237.346 3.836 10 0 BHAERO Cc1ccccc1[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000095081929 179325147 /nfs/dbraw/zinc/32/51/47/179325147.db2.gz FHMFWGCHEHLJFF-KRWDZBQOSA-N 1 0 237.346 3.836 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095660779 384388145 /nfs/dbraw/zinc/38/81/45/384388145.db2.gz CYJAYLQLXUPPJP-SECBINFHSA-N 1 0 237.652 3.769 10 0 BHAERO CC[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000095666545 350660940 /nfs/dbraw/zinc/66/09/40/350660940.db2.gz UMLJNOFTMYAUQV-SECBINFHSA-N 1 0 235.274 3.708 10 0 BHAERO CC(C)[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000095666547 346080477 /nfs/dbraw/zinc/08/04/77/346080477.db2.gz VVOFFNOQDMXKMY-SNVBAGLBSA-N 1 0 249.301 3.954 10 0 BHAERO [NH3+][C@@H](c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000095666559 346080549 /nfs/dbraw/zinc/08/05/49/346080549.db2.gz PMXMTWXKIFSQQA-SNVBAGLBSA-N 1 0 247.285 3.708 10 0 BHAERO CCn1c2ccccc2c2cc([C@@H](C)[NH3+])ccc21 ZINC000095671437 368338238 /nfs/dbraw/zinc/33/82/38/368338238.db2.gz VEBSQZOSHGNOKV-LLVKDONJSA-N 1 0 238.334 3.834 10 0 BHAERO CC[C@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095673995 384388604 /nfs/dbraw/zinc/38/86/04/384388604.db2.gz CYJAYLQLXUPPJP-VIFPVBQESA-N 1 0 237.652 3.769 10 0 BHAERO CC(C)[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000095683436 346080759 /nfs/dbraw/zinc/08/07/59/346080759.db2.gz VVOFFNOQDMXKMY-JTQLQIEISA-N 1 0 249.301 3.954 10 0 BHAERO CCn1c2ccccc2c2cc([C@H](C)[NH3+])ccc21 ZINC000095685492 368338020 /nfs/dbraw/zinc/33/80/20/368338020.db2.gz VEBSQZOSHGNOKV-NSHDSACASA-N 1 0 238.334 3.834 10 0 BHAERO CCC[C@H]([NH3+])c1cc(C)cc(C(C)(C)C)c1O ZINC000095770691 643344393 /nfs/dbraw/zinc/34/43/93/643344393.db2.gz JFHLHJXHQWHBEE-ZDUSSCGKSA-N 1 0 235.371 3.798 10 0 BHAERO Cc1cc([C@@H]([NH3+])C(C)C)c(O)c(C(C)(C)C)c1 ZINC000095770696 635489451 /nfs/dbraw/zinc/48/94/51/635489451.db2.gz FRKJWNGCPPDLLF-ZDUSSCGKSA-N 1 0 235.371 3.654 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C)cc(C(C)(C)C)c1O ZINC000095783218 643345191 /nfs/dbraw/zinc/34/51/91/643345191.db2.gz JFHLHJXHQWHBEE-CYBMUJFWSA-N 1 0 235.371 3.798 10 0 BHAERO Cc1cc([C@H]([NH3+])C(C)C)c(O)c(C(C)(C)C)c1 ZINC000095783228 644774758 /nfs/dbraw/zinc/77/47/58/644774758.db2.gz FRKJWNGCPPDLLF-CYBMUJFWSA-N 1 0 235.371 3.654 10 0 BHAERO C[C@@H]1CCC[C@H](c2cc3cc(F)ccc3[nH]2)[NH2+]1 ZINC000095835611 176146386 /nfs/dbraw/zinc/14/63/86/176146386.db2.gz IYBSVSCICVKBKN-NOZJJQNGSA-N 1 0 232.302 3.510 10 0 BHAERO C[C@H]1CCC[C@H](c2cc3cc(F)ccc3[nH]2)[NH2+]1 ZINC000095835613 177138906 /nfs/dbraw/zinc/13/89/06/177138906.db2.gz IYBSVSCICVKBKN-TVQRCGJNSA-N 1 0 232.302 3.510 10 0 BHAERO C[C@@H]1CCC[C@@H](c2cc3cc(F)ccc3[nH]2)[NH2+]1 ZINC000095835615 176124942 /nfs/dbraw/zinc/12/49/42/176124942.db2.gz IYBSVSCICVKBKN-RNCFNFMXSA-N 1 0 232.302 3.510 10 0 BHAERO C[C@H]1CCC[C@@H](c2cc3cc(F)ccc3[nH]2)[NH2+]1 ZINC000095835617 177123581 /nfs/dbraw/zinc/12/35/81/177123581.db2.gz IYBSVSCICVKBKN-ZANVPECISA-N 1 0 232.302 3.510 10 0 BHAERO C[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000095983162 644785278 /nfs/dbraw/zinc/78/52/78/644785278.db2.gz OFPXTOJAEKIFRD-NSHDSACASA-N 1 0 209.358 3.685 10 0 BHAERO C[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000095983163 644785910 /nfs/dbraw/zinc/78/59/10/644785910.db2.gz OFPXTOJAEKIFRD-LLVKDONJSA-N 1 0 209.358 3.685 10 0 BHAERO CC(C)(C)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000096300488 384450948 /nfs/dbraw/zinc/45/09/48/384450948.db2.gz SPPXJHQQQIHSGX-UHFFFAOYSA-N 1 0 229.367 3.865 10 0 BHAERO [NH3+]C[C@@H](c1cccs1)C1CCCCCC1 ZINC000096874010 181426376 /nfs/dbraw/zinc/42/63/76/181426376.db2.gz KOBICURTAVZJQA-GFCCVEGCSA-N 1 0 223.385 3.761 10 0 BHAERO COc1cccc([C@@H](C[NH3+])C2CCCCCC2)c1 ZINC000096881342 175288173 /nfs/dbraw/zinc/28/81/73/175288173.db2.gz KXQYEEZCAROPBW-INIZCTEOSA-N 1 0 247.382 3.708 10 0 BHAERO COc1cccc([C@H](C[NH3+])C2CCCCCC2)c1 ZINC000096881343 175294211 /nfs/dbraw/zinc/29/42/11/175294211.db2.gz KXQYEEZCAROPBW-MRXNPFEDSA-N 1 0 247.382 3.708 10 0 BHAERO COc1ccc([C@@H](C[NH3+])C2CCCCCC2)cc1 ZINC000096881344 175178333 /nfs/dbraw/zinc/17/83/33/175178333.db2.gz OIMFHPZYISPADV-INIZCTEOSA-N 1 0 247.382 3.708 10 0 BHAERO CC[NH2+][C@@H](CC)C(=O)c1cc(C(C)C)ccc1C ZINC000096890726 170143807 /nfs/dbraw/zinc/14/38/07/170143807.db2.gz XBVPWGDYEFVRQS-HNNXBMFYSA-N 1 0 247.382 3.689 10 0 BHAERO CC[NH2+][C@H](CC)C(=O)c1cc(C(C)C)ccc1C ZINC000096890727 170160986 /nfs/dbraw/zinc/16/09/86/170160986.db2.gz XBVPWGDYEFVRQS-OAHLLOKOSA-N 1 0 247.382 3.689 10 0 BHAERO Cc1ccc(C(C)C)cc1[C@H](OCC[NH3+])C1CC1 ZINC000096890744 178456828 /nfs/dbraw/zinc/45/68/28/178456828.db2.gz DEMZEVUHNNCTOA-MRXNPFEDSA-N 1 0 247.382 3.545 10 0 BHAERO Cc1ccc(C(C)C)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000096890745 178454953 /nfs/dbraw/zinc/45/49/53/178454953.db2.gz DEMZEVUHNNCTOA-INIZCTEOSA-N 1 0 247.382 3.545 10 0 BHAERO CSc1ccc([C@@H](CCC[NH3+])C(C)C)cc1 ZINC000096890831 188322010 /nfs/dbraw/zinc/32/20/10/188322010.db2.gz JAYXCDZESVKARE-AWEZNQCLSA-N 1 0 237.412 3.887 10 0 BHAERO CSc1ccc([C@@H](C)CCCC[NH3+])cc1 ZINC000096890842 187802514 /nfs/dbraw/zinc/80/25/14/187802514.db2.gz XVZMIMCSURTNHU-NSHDSACASA-N 1 0 223.385 3.641 10 0 BHAERO CCSc1ccc(/C(C)=C/CCC[NH3+])cc1 ZINC000096890890 170653385 /nfs/dbraw/zinc/65/33/85/170653385.db2.gz XLRHLELQFGNRDF-WUXMJOGZSA-N 1 0 235.396 3.941 10 0 BHAERO CC(C)Sc1ccc(/C=C/CCC[NH3+])cc1 ZINC000096891025 167336999 /nfs/dbraw/zinc/33/69/99/167336999.db2.gz PFLDXSIBOTZVGQ-GQCTYLIASA-N 1 0 235.396 3.939 10 0 BHAERO COc1cc(C)cc(C)c1[C@H](CCC[NH3+])C(C)C ZINC000096891093 174964750 /nfs/dbraw/zinc/96/47/50/174964750.db2.gz NOISMLJLSRWASX-CQSZACIVSA-N 1 0 249.398 3.791 10 0 BHAERO COc1cc(C)cc(C)c1[C@@H](C)CCCC[NH3+] ZINC000096891101 188147538 /nfs/dbraw/zinc/14/75/38/188147538.db2.gz XCSIMEGUSHCEPQ-LBPRGKRZSA-N 1 0 235.371 3.545 10 0 BHAERO Cc1ccccc1-c1nc([C@@H]2CCC[NH2+]2)cs1 ZINC000096895179 179237884 /nfs/dbraw/zinc/23/78/84/179237884.db2.gz CMQKPEZWINABEI-LBPRGKRZSA-N 1 0 244.363 3.543 10 0 BHAERO Cc1ccccc1-c1nc([C@H]2CCC[NH2+]2)cs1 ZINC000096895180 179238181 /nfs/dbraw/zinc/23/81/81/179238181.db2.gz CMQKPEZWINABEI-GFCCVEGCSA-N 1 0 244.363 3.543 10 0 BHAERO Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000096895181 178335911 /nfs/dbraw/zinc/33/59/11/178335911.db2.gz SLGUQNWFMJQRSZ-LBPRGKRZSA-N 1 0 244.363 3.543 10 0 BHAERO Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)cs2)cc1 ZINC000096895182 178337215 /nfs/dbraw/zinc/33/72/15/178337215.db2.gz SLGUQNWFMJQRSZ-GFCCVEGCSA-N 1 0 244.363 3.543 10 0 BHAERO c1sc(-c2ccccc2)nc1[C@@H]1CCCC[NH2+]1 ZINC000096895187 183382164 /nfs/dbraw/zinc/38/21/64/183382164.db2.gz VGNMCGMJWMCWNB-LBPRGKRZSA-N 1 0 244.363 3.625 10 0 BHAERO CC(C)CC[C@H]([NH3+])Cc1cc(F)ccc1Cl ZINC000096986024 166906576 /nfs/dbraw/zinc/90/65/76/166906576.db2.gz WRNNPUZVTQFQSM-LBPRGKRZSA-N 1 0 243.753 3.785 10 0 BHAERO Cc1ccc2cc(C[NH2+][C@@H](C)C(C)C)ccc2n1 ZINC000097861364 360381335 /nfs/dbraw/zinc/38/13/35/360381335.db2.gz LVSQWCPCPBIHGJ-ZDUSSCGKSA-N 1 0 242.366 3.677 10 0 BHAERO Cc1ccc2cc(C[NH2+][C@H](C)C(C)C)ccc2n1 ZINC000097861365 360381231 /nfs/dbraw/zinc/38/12/31/360381231.db2.gz LVSQWCPCPBIHGJ-CYBMUJFWSA-N 1 0 242.366 3.677 10 0 BHAERO CC[C@H]([NH3+])CCc1ccc(CC(C)C)cc1 ZINC000098124532 171483679 /nfs/dbraw/zinc/48/36/79/171483679.db2.gz SAIUAQMCWAISIP-HNNXBMFYSA-N 1 0 219.372 3.555 10 0 BHAERO CC[NH2+]CCCCc1cc(C)c(C)cc1C ZINC000098124550 170113057 /nfs/dbraw/zinc/11/30/57/170113057.db2.gz CGOVHXWINIDCEE-UHFFFAOYSA-N 1 0 219.372 3.544 10 0 BHAERO CC[NH2+]CCCc1cc(C(C)C)ccc1C ZINC000098124552 170113387 /nfs/dbraw/zinc/11/33/87/170113387.db2.gz RQRSVVJNTVAZCC-UHFFFAOYSA-N 1 0 219.372 3.661 10 0 BHAERO C[NH2+]CCCCc1cc(C(C)C)ccc1C ZINC000098124553 173346356 /nfs/dbraw/zinc/34/63/56/173346356.db2.gz LWAXEFIBJUPLAO-UHFFFAOYSA-N 1 0 219.372 3.661 10 0 BHAERO Cc1ccc(CCCC[NH2+]C2CCCC2)cc1 ZINC000098125240 187290826 /nfs/dbraw/zinc/29/08/26/187290826.db2.gz LVQRTJTZRAFODJ-UHFFFAOYSA-N 1 0 231.383 3.850 10 0 BHAERO CC[C@@H](C)c1ccc(C[C@H]([NH2+]C)C(C)C)cc1 ZINC000098125877 170804556 /nfs/dbraw/zinc/80/45/56/170804556.db2.gz RSWREJLCLYCUJE-CJNGLKHVSA-N 1 0 233.399 3.987 10 0 BHAERO CC[C@H](C)c1ccc(C[C@H]([NH2+]C)C(C)C)cc1 ZINC000098125878 171410322 /nfs/dbraw/zinc/41/03/22/171410322.db2.gz RSWREJLCLYCUJE-BBRMVZONSA-N 1 0 233.399 3.987 10 0 BHAERO CC[NH2+]CCCc1cc(C(C)(C)C)ccc1C ZINC000098125881 170113871 /nfs/dbraw/zinc/11/38/71/170113871.db2.gz JZCCLDSTCUUVNP-UHFFFAOYSA-N 1 0 233.399 3.835 10 0 BHAERO CC[NH2+]CCCc1ccc(C(C)(C)C)cc1C ZINC000098125884 170113764 /nfs/dbraw/zinc/11/37/64/170113764.db2.gz DARCWVZTBFIIDY-UHFFFAOYSA-N 1 0 233.399 3.835 10 0 BHAERO C[NH2+]CCCCc1ccc(C(C)(C)C)cc1C ZINC000098125885 173346144 /nfs/dbraw/zinc/34/61/44/173346144.db2.gz LKGWJPARILTQGW-UHFFFAOYSA-N 1 0 233.399 3.835 10 0 BHAERO CC[C@H]([NH3+])CCc1ccc(SC(C)C)cc1 ZINC000098126374 171483958 /nfs/dbraw/zinc/48/39/58/171483958.db2.gz WLIPVQKAKPZANP-ZDUSSCGKSA-N 1 0 237.412 3.857 10 0 BHAERO CC(C)[NH2+]CCc1ccc(SC(C)C)cc1 ZINC000098126376 167109152 /nfs/dbraw/zinc/10/91/52/167109152.db2.gz UZKVDTDWWXHHPI-UHFFFAOYSA-N 1 0 237.412 3.728 10 0 BHAERO CC[C@@H](Cc1ccc(SC(C)C)cc1)[NH2+]C ZINC000098126379 170855645 /nfs/dbraw/zinc/85/56/45/170855645.db2.gz LHTHCKQAISCHGA-ZDUSSCGKSA-N 1 0 237.412 3.728 10 0 BHAERO Cc1[nH]c2ccccc2c1CCCC[NH2+]C1CC1 ZINC000098126691 177514793 /nfs/dbraw/zinc/51/47/93/177514793.db2.gz PFAJXMZRGMLHIY-UHFFFAOYSA-N 1 0 242.366 3.551 10 0 BHAERO CC(C)[NH2+]CCCCc1cc(Cl)ccc1F ZINC000098126751 167102105 /nfs/dbraw/zinc/10/21/05/167102105.db2.gz LFVYZETVXNJAEL-UHFFFAOYSA-N 1 0 243.753 3.800 10 0 BHAERO Cc1cc(C(C)(C)C)ccc1CCC[NH2+]C1CC1 ZINC000098128242 187629883 /nfs/dbraw/zinc/62/98/83/187629883.db2.gz JCNLJKHYHFILBP-UHFFFAOYSA-N 1 0 245.410 3.977 10 0 BHAERO CC[C@H]([NH3+])CCc1ccc(OC2CCCC2)cc1 ZINC000098128342 171484003 /nfs/dbraw/zinc/48/40/03/171484003.db2.gz OJHZHSWYAVVIGB-AWEZNQCLSA-N 1 0 247.382 3.678 10 0 BHAERO CC[C@@H]([NH3+])CCc1ccc(OC2CCCC2)cc1 ZINC000098128343 170864264 /nfs/dbraw/zinc/86/42/64/170864264.db2.gz OJHZHSWYAVVIGB-CQSZACIVSA-N 1 0 247.382 3.678 10 0 BHAERO CC(C)[NH2+]CCc1ccc(OC2CCCC2)cc1 ZINC000098128344 167108451 /nfs/dbraw/zinc/10/84/51/167108451.db2.gz UPRPTQXAKQAPMX-UHFFFAOYSA-N 1 0 247.382 3.549 10 0 BHAERO C[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1CC1 ZINC000098128349 175771110 /nfs/dbraw/zinc/77/11/10/175771110.db2.gz HWYGBQHMUQHPFS-LBPRGKRZSA-N 1 0 247.382 3.547 10 0 BHAERO COc1cc(C(C)C)ccc1C[C@@H](C)[NH2+]C1CC1 ZINC000098128366 174951298 /nfs/dbraw/zinc/95/12/98/174951298.db2.gz DQTQCGDZRXFSKG-GFCCVEGCSA-N 1 0 247.382 3.502 10 0 BHAERO CC[C@@H]([NH3+])CCc1ccc(OC)c(C(C)(C)C)c1 ZINC000098128561 170864879 /nfs/dbraw/zinc/86/48/79/170864879.db2.gz MPKNWQSMQVVSBF-CYBMUJFWSA-N 1 0 249.398 3.663 10 0 BHAERO COc1ccc(CC[NH2+]C(C)C)cc1C(C)(C)C ZINC000098128562 188322215 /nfs/dbraw/zinc/32/22/15/188322215.db2.gz WEKAMHLZBSOPDA-UHFFFAOYSA-N 1 0 249.398 3.533 10 0 BHAERO COc1ccc(C[C@H](C)[NH2+]C(C)C)cc1C(C)C ZINC000098128577 187457956 /nfs/dbraw/zinc/45/79/56/187457956.db2.gz COCRPTMVRCCIJZ-ZDUSSCGKSA-N 1 0 249.398 3.748 10 0 BHAERO CCOc1cc(C)c(C[C@@H](C)[NH2+]C(C)C)cc1C ZINC000098128588 170518889 /nfs/dbraw/zinc/51/88/89/170518889.db2.gz CIACFEDARGKFPG-CQSZACIVSA-N 1 0 249.398 3.631 10 0 BHAERO C[NH2+][C@@H](Cc1ccc(OC(C)(C)C)cc1)C(C)C ZINC000098128603 173425517 /nfs/dbraw/zinc/42/55/17/173425517.db2.gz GNBDXLFDWDFOFP-HNNXBMFYSA-N 1 0 249.398 3.650 10 0 BHAERO CC(C)[NH2+][C@@H](C)Cc1ccc(OC(C)(C)C)cc1 ZINC000098128604 167132375 /nfs/dbraw/zinc/13/23/75/167132375.db2.gz IGCKWVYTCXJWHH-ZDUSSCGKSA-N 1 0 249.398 3.793 10 0 BHAERO CC(C)[NH2+][C@H](C)Cc1ccc(OC(C)(C)C)cc1 ZINC000098128605 167138680 /nfs/dbraw/zinc/13/86/80/167138680.db2.gz IGCKWVYTCXJWHH-CYBMUJFWSA-N 1 0 249.398 3.793 10 0 BHAERO CC[C@@H]([NH3+])CCc1cc(C(C)C)c(OC)cc1C ZINC000098128607 170863305 /nfs/dbraw/zinc/86/33/05/170863305.db2.gz NFDOYLGJMZOIQP-CQSZACIVSA-N 1 0 249.398 3.797 10 0 BHAERO CC[C@H](Cc1cc(C(C)C)c(OC)cc1C)[NH2+]C ZINC000098128611 171468720 /nfs/dbraw/zinc/46/87/20/171468720.db2.gz FZNGUNCEONANOL-CQSZACIVSA-N 1 0 249.398 3.668 10 0 BHAERO Cc1cc(C[C@@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000098128621 178054387 /nfs/dbraw/zinc/05/43/87/178054387.db2.gz LTFCHUULHPDJLY-CQSZACIVSA-N 1 0 249.398 3.711 10 0 BHAERO Cc1cc(C[C@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000098128622 178058667 /nfs/dbraw/zinc/05/86/67/178058667.db2.gz LTFCHUULHPDJLY-AWEZNQCLSA-N 1 0 249.398 3.711 10 0 BHAERO C[NH2+][C@H](Cc1ccc(C(C)C)cc1OC)C(C)C ZINC000098128629 173453619 /nfs/dbraw/zinc/45/36/19/173453619.db2.gz FUEJBLGSUKTMTH-OAHLLOKOSA-N 1 0 249.398 3.605 10 0 BHAERO CSc1ccc(CCC[NH2+]C2CCCC2)cc1 ZINC000098128642 187802738 /nfs/dbraw/zinc/80/27/38/187802738.db2.gz CFQYLXMUTKBSKN-UHFFFAOYSA-N 1 0 249.423 3.873 10 0 BHAERO C[NH2+]CCCc1ccc(SC2CCCC2)cc1 ZINC000098128646 173350579 /nfs/dbraw/zinc/35/05/79/173350579.db2.gz RCQZWHPNTYAKJG-UHFFFAOYSA-N 1 0 249.423 3.873 10 0 BHAERO CC(C)Sc1ccc(C[C@@H](C)[NH2+]C2CC2)cc1 ZINC000098128649 167336962 /nfs/dbraw/zinc/33/69/62/167336962.db2.gz JAHJSLSYQVVVFC-GFCCVEGCSA-N 1 0 249.423 3.870 10 0 BHAERO CC(C)Sc1ccc(C[C@H](C)[NH2+]C2CC2)cc1 ZINC000098128650 167336635 /nfs/dbraw/zinc/33/66/35/167336635.db2.gz JAHJSLSYQVVVFC-LBPRGKRZSA-N 1 0 249.423 3.870 10 0 BHAERO c1ccc(N[C@@H]2CCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000098178415 384598790 /nfs/dbraw/zinc/59/87/90/384598790.db2.gz VFIXTSQXHNWTRH-CVEARBPZSA-N 1 0 244.382 3.506 10 0 BHAERO c1ccc(N[C@H]2CCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000098178416 183417717 /nfs/dbraw/zinc/41/77/17/183417717.db2.gz VFIXTSQXHNWTRH-HOTGVXAUSA-N 1 0 244.382 3.506 10 0 BHAERO c1ccc(N[C@@H]2CCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000098178417 384599542 /nfs/dbraw/zinc/59/95/42/384599542.db2.gz VFIXTSQXHNWTRH-HZPDHXFCSA-N 1 0 244.382 3.506 10 0 BHAERO c1ccc(N[C@H]2CCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000098178418 384599406 /nfs/dbraw/zinc/59/94/06/384599406.db2.gz VFIXTSQXHNWTRH-JKSUJKDBSA-N 1 0 244.382 3.506 10 0 BHAERO c1ccc([C@H](c2ccncc2)[N@H+]2C=CC=CC2)cc1 ZINC000098179798 188322282 /nfs/dbraw/zinc/32/22/82/188322282.db2.gz MMMDOAVUOGZNRM-QGZVFWFLSA-N 1 0 248.329 3.557 10 0 BHAERO Cn1c(/C=C/[NH+]2CCCCC2)cc2ccccc21 ZINC000098179919 384602369 /nfs/dbraw/zinc/60/23/69/384602369.db2.gz SMHMEZYHCGDWSG-FMIVXFBMSA-N 1 0 240.350 3.635 10 0 BHAERO Cc1ccccc1CC1=[NH+]CCc2ccccc21 ZINC000098181538 179260243 /nfs/dbraw/zinc/26/02/43/179260243.db2.gz JLVQCRPNRBZDJV-UHFFFAOYSA-N 1 0 235.330 3.583 10 0 BHAERO CCCO[C@H]1CC[C@H]([NH2+]C2CCCCC2)CC1 ZINC000100320793 358418586 /nfs/dbraw/zinc/41/85/86/358418586.db2.gz CAYNPDIULHOXBO-GASCZTMLSA-N 1 0 239.403 3.647 10 0 BHAERO C=C1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000100342225 191063042 /nfs/dbraw/zinc/06/30/42/191063042.db2.gz YYMMLKDVECDPSK-UHFFFAOYSA-N 1 0 235.330 3.716 10 0 BHAERO c1ccc([C@]2([NH+]3CCCCC3)C[C@H]3C[C@H]3C2)cc1 ZINC000100643075 183430172 /nfs/dbraw/zinc/43/01/72/183430172.db2.gz IQHBDLUJVLOBJA-QLPKVWCKSA-N 1 0 241.378 3.798 10 0 BHAERO c1ccc([C@@]2([NH+]3CCCCC3)C[C@H]3C[C@H]3C2)cc1 ZINC000100643077 387516195 /nfs/dbraw/zinc/51/61/95/387516195.db2.gz IQHBDLUJVLOBJA-SCAQPMJSSA-N 1 0 241.378 3.798 10 0 BHAERO C[NH2+][C@@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000101518448 173430388 /nfs/dbraw/zinc/43/03/88/173430388.db2.gz BJAJMOZGDQACAP-DRCTWCGVSA-N 1 0 231.364 3.818 10 0 BHAERO C[NH2+][C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000101518456 173430779 /nfs/dbraw/zinc/43/07/79/173430779.db2.gz BJAJMOZGDQACAP-NURSFMCSSA-N 1 0 231.364 3.818 10 0 BHAERO CCCCn1c(C)[nH+]c(-c2ccc(C)cc2)c1N ZINC000103498831 169034084 /nfs/dbraw/zinc/03/40/84/169034084.db2.gz SCZPBDJIDVXHMK-UHFFFAOYSA-N 1 0 243.354 3.549 10 0 BHAERO CCCCn1c(C)[nH+]c(-c2cccc(C)c2)c1N ZINC000103498989 169033993 /nfs/dbraw/zinc/03/39/93/169033993.db2.gz JZTTUIDUIJJCFR-UHFFFAOYSA-N 1 0 243.354 3.549 10 0 BHAERO CCn1c(C)[nH+]c(-c2ccc(C(C)C)cc2)c1N ZINC000103499884 172137597 /nfs/dbraw/zinc/13/75/97/172137597.db2.gz RFHAWEAFXOFSKD-UHFFFAOYSA-N 1 0 243.354 3.584 10 0 BHAERO CCCCn1c(N)c([C@@H](C)CCC)[nH+]c1CC ZINC000103500722 169033957 /nfs/dbraw/zinc/03/39/57/169033957.db2.gz XOECPYUKQMVJOR-NSHDSACASA-N 1 0 237.391 3.731 10 0 BHAERO CCCCn1c(N)c([C@H](C)CCC)[nH+]c1CC ZINC000103500723 169034043 /nfs/dbraw/zinc/03/40/43/169034043.db2.gz XOECPYUKQMVJOR-LLVKDONJSA-N 1 0 237.391 3.731 10 0 BHAERO CCCCn1c(N)c([C@@H](C)CC)[nH+]c1C(C)C ZINC000103500747 169034346 /nfs/dbraw/zinc/03/43/46/169034346.db2.gz GNBJWSAZDYMRTD-NSHDSACASA-N 1 0 237.391 3.902 10 0 BHAERO CCCCn1c(N)c([C@H](C)CC)[nH+]c1C(C)C ZINC000103500749 169033370 /nfs/dbraw/zinc/03/33/70/169033370.db2.gz GNBJWSAZDYMRTD-LLVKDONJSA-N 1 0 237.391 3.902 10 0 BHAERO CCn1c(N)c(C2CCCCC2)[nH+]c1C(C)(C)C ZINC000103500763 172135160 /nfs/dbraw/zinc/13/51/60/172135160.db2.gz ABZURPNTTGNOJI-UHFFFAOYSA-N 1 0 249.402 3.830 10 0 BHAERO CCC[C@@H](C)c1[nH+]c(CC)n(CC(C)C)c1N ZINC000103500953 169373990 /nfs/dbraw/zinc/37/39/90/169373990.db2.gz ISMPCMAQSNGTOX-LLVKDONJSA-N 1 0 237.391 3.587 10 0 BHAERO CC(C)Cn1c(N)c(C(C)(C)C)[nH+]c1C(C)C ZINC000103500975 188150865 /nfs/dbraw/zinc/15/08/65/188150865.db2.gz YEEAYLFRTPFIKY-UHFFFAOYSA-N 1 0 237.391 3.542 10 0 BHAERO CCCCn1c(N)c(C(C)C)[nH+]c1C(C)(C)C ZINC000103501610 169034019 /nfs/dbraw/zinc/03/40/19/169034019.db2.gz HINKUMKCUWKLTB-UHFFFAOYSA-N 1 0 237.391 3.686 10 0 BHAERO CCn1c(N)c(C(C)(C)C)[nH+]c1C1CCCCC1 ZINC000103501621 172143484 /nfs/dbraw/zinc/14/34/84/172143484.db2.gz KGAFAANMRNGXCC-UHFFFAOYSA-N 1 0 249.402 3.830 10 0 BHAERO CCCCn1c(N)c(C(C)(C)C)[nH+]c1CCC ZINC000103502089 169033517 /nfs/dbraw/zinc/03/35/17/169033517.db2.gz LBYWEVYJULNMSD-UHFFFAOYSA-N 1 0 237.391 3.515 10 0 BHAERO CCCC[C@@H](CC)C[C@@H](CCOC)[NH2+]CCC ZINC000103929598 168958737 /nfs/dbraw/zinc/95/87/37/168958737.db2.gz RXYPPMAAJFIYPY-HUUCEWRRSA-N 1 0 243.435 3.998 10 0 BHAERO CCCC[C@H](CC)C[C@@H](CCOC)[NH2+]CCC ZINC000103929601 168999738 /nfs/dbraw/zinc/99/97/38/168999738.db2.gz RXYPPMAAJFIYPY-LSDHHAIUSA-N 1 0 243.435 3.998 10 0 BHAERO CCCC[C@@H](CC)C[C@H](CCOC)[NH2+]CCC ZINC000103929603 168958766 /nfs/dbraw/zinc/95/87/66/168958766.db2.gz RXYPPMAAJFIYPY-CABCVRRESA-N 1 0 243.435 3.998 10 0 BHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Cc2cc(C)ccc2C)C1 ZINC000103930388 171056569 /nfs/dbraw/zinc/05/65/69/171056569.db2.gz KKNFVWUFNCZPCO-PVAVHDDUSA-N 1 0 245.410 4.000 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2cc(C)ccc2C)C1 ZINC000103930395 171039613 /nfs/dbraw/zinc/03/96/13/171039613.db2.gz KKNFVWUFNCZPCO-HYVNUMGLSA-N 1 0 245.410 4.000 10 0 BHAERO Cc1cc(C)cc(CC2([NH3+])CCCCCC2)c1 ZINC000103932118 177895620 /nfs/dbraw/zinc/89/56/20/177895620.db2.gz ALINDLDDLPUEHD-UHFFFAOYSA-N 1 0 231.383 3.898 10 0 BHAERO Cc1ccccc1C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000103933387 179290120 /nfs/dbraw/zinc/29/01/20/179290120.db2.gz DBDAXNNEBSPAPZ-PVAVHDDUSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1ccccc1C[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000103933390 179291849 /nfs/dbraw/zinc/29/18/49/179291849.db2.gz DBDAXNNEBSPAPZ-OIISXLGYSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1ccccc1C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000103933394 179289877 /nfs/dbraw/zinc/28/98/77/179289877.db2.gz DBDAXNNEBSPAPZ-XIRDDKMYSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1ccccc1C[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000103933397 179292153 /nfs/dbraw/zinc/29/21/53/179292153.db2.gz DBDAXNNEBSPAPZ-UAGQMJEPSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1cccc(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])c1 ZINC000103934881 179104877 /nfs/dbraw/zinc/10/48/77/179104877.db2.gz DCZZIWCMXSIBFX-ZACQAIPSSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1cccc(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])c1 ZINC000103934886 179105404 /nfs/dbraw/zinc/10/54/04/179105404.db2.gz DCZZIWCMXSIBFX-IKGGRYGDSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1cccc(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])c1 ZINC000103934889 179104894 /nfs/dbraw/zinc/10/48/94/179104894.db2.gz DCZZIWCMXSIBFX-BBWFWOEESA-N 1 0 245.410 3.937 10 0 BHAERO Cc1cccc(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])c1 ZINC000103934895 179105714 /nfs/dbraw/zinc/10/57/14/179105714.db2.gz DCZZIWCMXSIBFX-ULQDDVLXSA-N 1 0 245.410 3.937 10 0 BHAERO Cc1cccc(C2([NH3+])CCC(C(C)C)CC2)c1 ZINC000103941931 179050213 /nfs/dbraw/zinc/05/02/13/179050213.db2.gz FMLSEMFHAPWOTC-UHFFFAOYSA-N 1 0 231.383 3.995 10 0 BHAERO Cc1cc(C)cc(C[C@H]([NH3+])C2CCC(C)CC2)c1 ZINC000103948482 187804896 /nfs/dbraw/zinc/80/48/96/187804896.db2.gz YFOXWSLUDWUBBX-SEFLRBGSSA-N 1 0 245.410 4.000 10 0 BHAERO Cc1cc(C)cc(C[C@@H]([NH3+])C2CCC(C)CC2)c1 ZINC000103948486 188150742 /nfs/dbraw/zinc/15/07/42/188150742.db2.gz YFOXWSLUDWUBBX-UAIPMZCESA-N 1 0 245.410 4.000 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@H]1Cc1ccc(CC)cc1 ZINC000103949210 170166292 /nfs/dbraw/zinc/16/62/92/170166292.db2.gz PVHDMRLPAKRURK-IRXDYDNUSA-N 1 0 245.410 3.960 10 0 BHAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(CC)cc1 ZINC000103949214 170165746 /nfs/dbraw/zinc/16/57/46/170165746.db2.gz PVHDMRLPAKRURK-SJORKVTESA-N 1 0 245.410 3.960 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(CC)cc1 ZINC000103949217 170150898 /nfs/dbraw/zinc/15/08/98/170150898.db2.gz PVHDMRLPAKRURK-DLBZAZTESA-N 1 0 245.410 3.960 10 0 BHAERO CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(CC)cc1 ZINC000103949221 170150692 /nfs/dbraw/zinc/15/06/92/170150692.db2.gz PVHDMRLPAKRURK-IAGOWNOFSA-N 1 0 245.410 3.960 10 0 BHAERO CC(C)(C)c1ccc2[nH+]c(C3CC3)cc(N)c2c1 ZINC000103954593 188150408 /nfs/dbraw/zinc/15/04/08/188150408.db2.gz FRUZDPASVRTJCR-UHFFFAOYSA-N 1 0 240.350 3.992 10 0 BHAERO CCNc1cc(C2CC2)[nH+]c2c(C)cccc12 ZINC000103955673 170172512 /nfs/dbraw/zinc/17/25/12/170172512.db2.gz AIYCHLXUABGTAQ-UHFFFAOYSA-N 1 0 226.323 3.852 10 0 BHAERO C[C@@H]([NH3+])c1ccccc1N(C)[C@H](C)C(C)(C)C ZINC000103959827 187459878 /nfs/dbraw/zinc/45/98/78/187459878.db2.gz KULQLAYWQBBKDL-VXGBXAGGSA-N 1 0 234.387 3.577 10 0 BHAERO CCCNc1cc(C2CC2)[nH+]c2ccccc12 ZINC000103961911 169293303 /nfs/dbraw/zinc/29/33/03/169293303.db2.gz UIOWGNYFFGTVSK-UHFFFAOYSA-N 1 0 226.323 3.934 10 0 BHAERO CCNc1cc(C2CC2)[nH+]c2c(C)cc(F)cc12 ZINC000103964302 170171835 /nfs/dbraw/zinc/17/18/35/170171835.db2.gz WJLWHYMARPXMSW-UHFFFAOYSA-N 1 0 244.313 3.992 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000103973073 179280825 /nfs/dbraw/zinc/28/08/25/179280825.db2.gz JWJIYQCMTGJRPK-HOCLYGCPSA-N 1 0 231.383 3.911 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000103973078 179281011 /nfs/dbraw/zinc/28/10/11/179281011.db2.gz JWJIYQCMTGJRPK-GOEBONIOSA-N 1 0 231.383 3.911 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000103973082 179281298 /nfs/dbraw/zinc/28/12/98/179281298.db2.gz JWJIYQCMTGJRPK-ZBFHGGJFSA-N 1 0 231.383 3.911 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000103973084 179281770 /nfs/dbraw/zinc/28/17/70/179281770.db2.gz JWJIYQCMTGJRPK-GDBMZVCRSA-N 1 0 231.383 3.911 10 0 BHAERO CCCCC[C@H](CN)[N@H+](CCCCC)C(C)C ZINC000103975658 168745134 /nfs/dbraw/zinc/74/51/34/168745134.db2.gz YJQNADOJLNHCRE-OAHLLOKOSA-N 1 0 242.451 3.795 10 0 BHAERO CC[NH2+][C@@H]1CCCCCCCCCC[C@@H]1OC ZINC000103979903 170150982 /nfs/dbraw/zinc/15/09/82/170150982.db2.gz QYOHZSMRUFFJGY-CABCVRRESA-N 1 0 241.419 3.894 10 0 BHAERO CC[NH2+][C@H]1CCCCCCCCCC[C@@H]1OC ZINC000103979907 170165673 /nfs/dbraw/zinc/16/56/73/170165673.db2.gz QYOHZSMRUFFJGY-GJZGRUSLSA-N 1 0 241.419 3.894 10 0 BHAERO CC[NH2+][C@@H]1CCCCCCCCCC[C@H]1OC ZINC000103979909 170150234 /nfs/dbraw/zinc/15/02/34/170150234.db2.gz QYOHZSMRUFFJGY-HUUCEWRRSA-N 1 0 241.419 3.894 10 0 BHAERO CC[NH2+][C@H]1CCCCCCCCCC[C@H]1OC ZINC000103979912 170165537 /nfs/dbraw/zinc/16/55/37/170165537.db2.gz QYOHZSMRUFFJGY-LSDHHAIUSA-N 1 0 241.419 3.894 10 0 BHAERO Cc1cccc(C[NH2+]CC2CCC(C)CC2)c1 ZINC000103980737 179089482 /nfs/dbraw/zinc/08/94/82/179089482.db2.gz ANOGFIYSZGAYSF-UHFFFAOYSA-N 1 0 231.383 3.911 10 0 BHAERO CCC[C@@H](C)CN(CCC[NH3+])c1cccc(C)c1 ZINC000103986820 169357821 /nfs/dbraw/zinc/35/78/21/169357821.db2.gz DBTBHKKZQFGZAV-OAHLLOKOSA-N 1 0 248.414 3.586 10 0 BHAERO CCC[C@@H](C)C[N@H+](CCC)C(CC)(CC)CN ZINC000103990331 169357360 /nfs/dbraw/zinc/35/73/60/169357360.db2.gz LWTBHIOFVIOSOX-CQSZACIVSA-N 1 0 242.451 3.652 10 0 BHAERO CCNc1c2ccccc2[nH+]c2c1CCCCC2 ZINC000103993754 170171364 /nfs/dbraw/zinc/17/13/64/170171364.db2.gz GSZUHGMYPGSZES-UHFFFAOYSA-N 1 0 240.350 3.936 10 0 BHAERO CCNc1c(C)c(C)[nH+]c2ccc(CC)cc21 ZINC000103997261 170170890 /nfs/dbraw/zinc/17/08/90/170170890.db2.gz YWIVFJVJSWKCPF-UHFFFAOYSA-N 1 0 228.339 3.846 10 0 BHAERO CCC[NH2+]C[C@H](CC)Oc1ccc(CCC)cc1 ZINC000103997679 169263413 /nfs/dbraw/zinc/26/34/13/169263413.db2.gz YZDJPJSDRHKFEY-HNNXBMFYSA-N 1 0 249.398 3.796 10 0 BHAERO CCC[NH2+]C[C@@H](CC)Oc1ccc(CCC)cc1 ZINC000103997684 169262698 /nfs/dbraw/zinc/26/26/98/169262698.db2.gz YZDJPJSDRHKFEY-OAHLLOKOSA-N 1 0 249.398 3.796 10 0 BHAERO CCCC[C@@H](CC)CO[C@@H](CC)C[NH2+]CCC ZINC000103999103 168959720 /nfs/dbraw/zinc/95/97/20/168959720.db2.gz RUHXBEKUIUOMMT-CABCVRRESA-N 1 0 243.435 3.998 10 0 BHAERO CCC[C@@H](C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000104000741 169383570 /nfs/dbraw/zinc/38/35/70/169383570.db2.gz SFTUYOLOHYTDFA-CQSZACIVSA-N 1 0 233.399 3.902 10 0 BHAERO CCNc1cc(CC)[nH+]c2cc(C)cc(C)c12 ZINC000104001683 170171995 /nfs/dbraw/zinc/17/19/95/170171995.db2.gz LMEMSWQRFOMIFH-UHFFFAOYSA-N 1 0 228.339 3.846 10 0 BHAERO CNc1c2c([nH+]c3cc(C)cc(C)c31)CCCC2 ZINC000104001686 173472135 /nfs/dbraw/zinc/47/21/35/173472135.db2.gz SBFPZEPGIZEGOR-UHFFFAOYSA-N 1 0 240.350 3.772 10 0 BHAERO CCC[C@@H](C)C[C@H](C[NH3+])Cc1cccc(C)c1 ZINC000104004676 169361699 /nfs/dbraw/zinc/36/16/99/169361699.db2.gz PJAXBRLWZIQELT-CJNGLKHVSA-N 1 0 233.399 3.939 10 0 BHAERO CCC[C@@H](C)C[C@@H](C[NH3+])Cc1cccc(C)c1 ZINC000104004680 169361252 /nfs/dbraw/zinc/36/12/52/169361252.db2.gz PJAXBRLWZIQELT-CZUORRHYSA-N 1 0 233.399 3.939 10 0 BHAERO CCCc1cccc2c(NC)c3c([nH+]c12)CCC3 ZINC000104005639 169577514 /nfs/dbraw/zinc/57/75/14/169577514.db2.gz VZRUIKNXBXCSPT-UHFFFAOYSA-N 1 0 240.350 3.718 10 0 BHAERO CCCC[C@@H](CC)COCC[NH2+]CCC(C)C ZINC000104006654 168959450 /nfs/dbraw/zinc/95/94/50/168959450.db2.gz SOYZBGHOXKFIDP-OAHLLOKOSA-N 1 0 243.435 3.855 10 0 BHAERO CCCCCC[NH2+]CCOc1ccccc1CC ZINC000104007961 168667073 /nfs/dbraw/zinc/66/70/73/168667073.db2.gz ORUULEORDBOORK-UHFFFAOYSA-N 1 0 249.398 3.798 10 0 BHAERO CCNc1cc(CC)[nH+]c2c(CC)cccc12 ZINC000104008235 170172472 /nfs/dbraw/zinc/17/24/72/170172472.db2.gz SIPQTNJWXUERAZ-UHFFFAOYSA-N 1 0 228.339 3.791 10 0 BHAERO CCC[C@@](C)(CCC(C)(C)C)C[NH2+]CCOC ZINC000104009092 169448937 /nfs/dbraw/zinc/44/89/37/169448937.db2.gz XKBCWAGEAMMYGE-HNNXBMFYSA-N 1 0 243.435 3.855 10 0 BHAERO CCNc1c2c([nH+]c3c(C)cc(C)cc13)CCC2 ZINC000104011572 170171330 /nfs/dbraw/zinc/17/13/30/170171330.db2.gz FJDSPRFFNUCLHZ-UHFFFAOYSA-N 1 0 240.350 3.772 10 0 BHAERO CCNc1c2c([nH+]c3c(C)ccc(C)c13)CCC2 ZINC000104011611 170171524 /nfs/dbraw/zinc/17/15/24/170171524.db2.gz DFOKHOPJDPTXPW-UHFFFAOYSA-N 1 0 240.350 3.772 10 0 BHAERO CCNc1c2cccc(C)c2[nH+]c(C)c1CC ZINC000104013580 170170835 /nfs/dbraw/zinc/17/08/35/170170835.db2.gz UHRSEKBKXVVUGL-UHFFFAOYSA-N 1 0 228.339 3.846 10 0 BHAERO Cc1cc(C)cc(OCC[NH2+]CCCC(C)C)c1 ZINC000104014789 177912586 /nfs/dbraw/zinc/91/25/86/177912586.db2.gz XQDDMNUUMQZSMT-UHFFFAOYSA-N 1 0 249.398 3.708 10 0 BHAERO CCNc1c2cc(C)ccc2[nH+]c(C)c1CC ZINC000104015204 170170858 /nfs/dbraw/zinc/17/08/58/170170858.db2.gz CQQFYQVWWLAZRM-UHFFFAOYSA-N 1 0 228.339 3.846 10 0 BHAERO CCNc1c2cccc(C)c2[nH+]c2c1CCCC2 ZINC000104015271 170171241 /nfs/dbraw/zinc/17/12/41/170171241.db2.gz RFNOUKCXGIVYDM-UHFFFAOYSA-N 1 0 240.350 3.854 10 0 BHAERO Cc1cc(C)cc(C[C@]2(C[NH3+])C[C@H]3CC[C@@H]2C3)c1 ZINC000104019918 177903510 /nfs/dbraw/zinc/90/35/10/177903510.db2.gz UTKXBMAOSCLJLO-UAGQMJEPSA-N 1 0 243.394 3.611 10 0 BHAERO Cc1nc2ccccc2c(C[NH2+]C(C)(C)C)c1C ZINC000104052649 180100827 /nfs/dbraw/zinc/10/08/27/180100827.db2.gz SUSYKDBJEWPSQI-UHFFFAOYSA-N 1 0 242.366 3.740 10 0 BHAERO CCC[NH2+][C@@H](CCc1ccccc1C)C1CC1 ZINC000104054775 169279402 /nfs/dbraw/zinc/27/94/02/169279402.db2.gz BZMDAYOYDRLFKQ-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO CCC[NH2+][C@H](CCc1ccccc1C)C1CC1 ZINC000104054779 169289519 /nfs/dbraw/zinc/28/95/19/169289519.db2.gz BZMDAYOYDRLFKQ-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO CCC[NH2+][C@@H](CCc1cccc(C)c1)C1CC1 ZINC000104056227 169279831 /nfs/dbraw/zinc/27/98/31/169279831.db2.gz PRICPGOWPCBFFT-INIZCTEOSA-N 1 0 231.383 3.706 10 0 BHAERO CCC[NH2+][C@H](CCc1cccc(C)c1)C1CC1 ZINC000104056231 169288860 /nfs/dbraw/zinc/28/88/60/169288860.db2.gz PRICPGOWPCBFFT-MRXNPFEDSA-N 1 0 231.383 3.706 10 0 BHAERO CC(C)(C)c1ccc(CC[C@H]([NH3+])C2CC2)cc1 ZINC000104067312 188150436 /nfs/dbraw/zinc/15/04/36/188150436.db2.gz NRNDFEIGNQMHEO-HNNXBMFYSA-N 1 0 231.383 3.654 10 0 BHAERO CC(C)(C)c1ccc(CC[C@@H]([NH3+])C2CC2)cc1 ZINC000104067316 187978381 /nfs/dbraw/zinc/97/83/81/187978381.db2.gz NRNDFEIGNQMHEO-OAHLLOKOSA-N 1 0 231.383 3.654 10 0 BHAERO C[NH2+][C@H](CCc1c(C)cc(C)cc1C)C1CC1 ZINC000104068929 173451875 /nfs/dbraw/zinc/45/18/75/173451875.db2.gz HQKSFRATICAFTE-MRXNPFEDSA-N 1 0 231.383 3.542 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104094354 179281242 /nfs/dbraw/zinc/28/12/42/179281242.db2.gz LEYJQAKPWCBYFU-LZWOXQAQSA-N 1 0 229.367 3.521 10 0 BHAERO Cc1ccccc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104094357 179283532 /nfs/dbraw/zinc/28/35/32/179283532.db2.gz LEYJQAKPWCBYFU-SQWLQELKSA-N 1 0 229.367 3.521 10 0 BHAERO C[C@H]1CCCC[C@@H]1Nc1cnnc2ccccc21 ZINC000104108211 177083381 /nfs/dbraw/zinc/08/33/81/177083381.db2.gz BEMVPGQPHMMBTA-AAEUAGOBSA-N 1 0 241.338 3.620 10 0 BHAERO C[C@H]1CCCC[C@H]1Nc1cnnc2ccccc21 ZINC000104108217 177089473 /nfs/dbraw/zinc/08/94/73/177089473.db2.gz BEMVPGQPHMMBTA-WCQYABFASA-N 1 0 241.338 3.620 10 0 BHAERO CCCCCC[C@@H](C[NH2+]CCOC)CC(C)C ZINC000104148591 168675743 /nfs/dbraw/zinc/67/57/43/168675743.db2.gz CCYYNJQSEQKMFY-OAHLLOKOSA-N 1 0 243.435 3.855 10 0 BHAERO CCC[C@@H](C)[NH2+]CCn1ccc2cc(C)ccc21 ZINC000104153548 169369659 /nfs/dbraw/zinc/36/96/59/169369659.db2.gz GDGFBQHYRWKHOD-CQSZACIVSA-N 1 0 244.382 3.728 10 0 BHAERO CCCCc1ccc2[nH+]c(C)cc(NC)c2c1 ZINC000104155148 169024176 /nfs/dbraw/zinc/02/41/76/169024176.db2.gz YOTYVCXRGZHZQX-UHFFFAOYSA-N 1 0 228.339 3.928 10 0 BHAERO CCCCCC[C@@]1([NH3+])CCc2ccccc2C1 ZINC000104156098 168677474 /nfs/dbraw/zinc/67/74/74/168677474.db2.gz WWUMNCMGLAYZAL-MRXNPFEDSA-N 1 0 231.383 3.843 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@@H](C)CCOCCC(C)C ZINC000104157529 169277712 /nfs/dbraw/zinc/27/77/12/169277712.db2.gz MIPWGDUHMZKLKS-GJZGRUSLSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@H](CC)[C@@H](C)CCOCCC(C)C ZINC000104157531 169288060 /nfs/dbraw/zinc/28/80/60/169288060.db2.gz MIPWGDUHMZKLKS-LSDHHAIUSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@H](C)CCOCCC(C)C ZINC000104157534 169278504 /nfs/dbraw/zinc/27/85/04/169278504.db2.gz MIPWGDUHMZKLKS-CABCVRRESA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@H](CC)[C@H](C)CCOCCC(C)C ZINC000104157538 169288312 /nfs/dbraw/zinc/28/83/12/169288312.db2.gz MIPWGDUHMZKLKS-HUUCEWRRSA-N 1 0 243.435 3.854 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@@H](C)Cc1ccccc1OC ZINC000104158293 169278022 /nfs/dbraw/zinc/27/80/22/169278022.db2.gz FSIWWCVPFULXBH-ZFWWWQNUSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](CC)[C@@H](C)Cc1ccccc1OC ZINC000104158298 169288251 /nfs/dbraw/zinc/28/82/51/169288251.db2.gz FSIWWCVPFULXBH-DZGCQCFKSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@@H](CC)[C@H](C)Cc1ccccc1OC ZINC000104158300 169277742 /nfs/dbraw/zinc/27/77/42/169277742.db2.gz FSIWWCVPFULXBH-HIFRSBDPSA-N 1 0 249.398 3.652 10 0 BHAERO CCC[NH2+][C@H](CC)[C@H](C)Cc1ccccc1OC ZINC000104158305 169288119 /nfs/dbraw/zinc/28/81/19/169288119.db2.gz FSIWWCVPFULXBH-UKRRQHHQSA-N 1 0 249.398 3.652 10 0 BHAERO CCc1nc2c(F)ccc(C)c2c(NC)c1C ZINC000104158437 172009442 /nfs/dbraw/zinc/00/94/42/172009442.db2.gz BUIBHMYLECKHEU-UHFFFAOYSA-N 1 0 232.302 3.595 10 0 BHAERO CC[C@H]([NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000104160550 171487839 /nfs/dbraw/zinc/48/78/39/171487839.db2.gz BKOUFMMOYKICKE-CABZTGNLSA-N 1 0 245.288 3.621 10 0 BHAERO CCNc1c(C)c(CC)[nH+]c2c(C)ccc(F)c12 ZINC000104162318 170170666 /nfs/dbraw/zinc/17/06/66/170170666.db2.gz LXNHJNGSITVMJZ-UHFFFAOYSA-N 1 0 246.329 3.985 10 0 BHAERO Cc1cccc([C@H]([NH3+])c2ccc3ccccc3c2)n1 ZINC000104162355 179201118 /nfs/dbraw/zinc/20/11/18/179201118.db2.gz LXCFWBJYDGUDHU-QGZVFWFLSA-N 1 0 248.329 3.591 10 0 BHAERO Cc1cccc([C@@H]([NH3+])c2ccc3ccccc3c2)n1 ZINC000104162359 179186500 /nfs/dbraw/zinc/18/65/00/179186500.db2.gz LXCFWBJYDGUDHU-KRWDZBQOSA-N 1 0 248.329 3.591 10 0 BHAERO CCc1nc2c(F)cc(C)cc2c(NC)c1C ZINC000104162962 172008980 /nfs/dbraw/zinc/00/89/80/172008980.db2.gz TWDIPSDXWQEIJX-UHFFFAOYSA-N 1 0 232.302 3.595 10 0 BHAERO CCc1[nH+]c2c(C)c(C)ccc2c(NC)c1C ZINC000104162967 172008606 /nfs/dbraw/zinc/00/86/06/172008606.db2.gz MJXPJZNMCMWEKO-UHFFFAOYSA-N 1 0 228.339 3.764 10 0 BHAERO CC[NH2+][C@@H](CC1CCCC1)c1cccc(C)n1 ZINC000104163030 170143859 /nfs/dbraw/zinc/14/38/59/170143859.db2.gz OEWIRGPVJRSCLJ-HNNXBMFYSA-N 1 0 232.371 3.621 10 0 BHAERO CC[NH2+][C@H](CC1CCCC1)c1cccc(C)n1 ZINC000104163033 170161575 /nfs/dbraw/zinc/16/15/75/170161575.db2.gz OEWIRGPVJRSCLJ-OAHLLOKOSA-N 1 0 232.371 3.621 10 0 BHAERO CC[NH2+][C@@H](CCC(C)(C)C)c1cccc(C)n1 ZINC000104163042 170145483 /nfs/dbraw/zinc/14/54/83/170145483.db2.gz QIVGXLLXILLNAT-ZDUSSCGKSA-N 1 0 234.387 3.867 10 0 BHAERO CC[NH2+][C@H](CCC(C)(C)C)c1cccc(C)n1 ZINC000104163045 170161723 /nfs/dbraw/zinc/16/17/23/170161723.db2.gz QIVGXLLXILLNAT-CYBMUJFWSA-N 1 0 234.387 3.867 10 0 BHAERO CC[NH2+][C@H](CC)[C@H](C)Cc1ccc(CC)cc1 ZINC000104163476 170160820 /nfs/dbraw/zinc/16/08/20/170160820.db2.gz NZYFYHFAZODJPB-CZUORRHYSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@H](CC)[C@@H](C)Cc1ccc(CC)cc1 ZINC000104163479 170160864 /nfs/dbraw/zinc/16/08/64/170160864.db2.gz NZYFYHFAZODJPB-XJKSGUPXSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@@H](CC)[C@H](C)Cc1ccc(CC)cc1 ZINC000104163483 170143853 /nfs/dbraw/zinc/14/38/53/170143853.db2.gz NZYFYHFAZODJPB-CJNGLKHVSA-N 1 0 233.399 3.816 10 0 BHAERO CC[NH2+][C@@H](CC)[C@@H](C)Cc1ccc(CC)cc1 ZINC000104163487 170143901 /nfs/dbraw/zinc/14/39/01/170143901.db2.gz NZYFYHFAZODJPB-BBRMVZONSA-N 1 0 233.399 3.816 10 0 BHAERO CCC[NH2+][C@@H](c1cccc(C)n1)C1CCCC1 ZINC000104164438 169280698 /nfs/dbraw/zinc/28/06/98/169280698.db2.gz POJCHWWYESDRNI-OAHLLOKOSA-N 1 0 232.371 3.621 10 0 BHAERO CCC[NH2+][C@H](c1cccc(C)n1)C1CCCC1 ZINC000104164441 169290593 /nfs/dbraw/zinc/29/05/93/169290593.db2.gz POJCHWWYESDRNI-HNNXBMFYSA-N 1 0 232.371 3.621 10 0 BHAERO CC[NH2+][C@@H](CC)[C@@H](C)Cc1ccc(C)c(C)c1 ZINC000104165134 170143869 /nfs/dbraw/zinc/14/38/69/170143869.db2.gz HWMMRJREPWNSAG-HOCLYGCPSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](CC)[C@@H](C)Cc1ccc(C)c(C)c1 ZINC000104165138 170161058 /nfs/dbraw/zinc/16/10/58/170161058.db2.gz HWMMRJREPWNSAG-GOEBONIOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](CC)[C@H](C)Cc1ccc(C)c(C)c1 ZINC000104165143 170143661 /nfs/dbraw/zinc/14/36/61/170143661.db2.gz HWMMRJREPWNSAG-ZBFHGGJFSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](CC)[C@H](C)Cc1ccc(C)c(C)c1 ZINC000104165148 170160739 /nfs/dbraw/zinc/16/07/39/170160739.db2.gz HWMMRJREPWNSAG-GDBMZVCRSA-N 1 0 233.399 3.870 10 0 BHAERO CCNc1c(C)c(CC)[nH+]c2ccc(OC)cc21 ZINC000104165310 170170833 /nfs/dbraw/zinc/17/08/33/170170833.db2.gz QPRLXCUUZGCTDF-UHFFFAOYSA-N 1 0 244.338 3.546 10 0 BHAERO CCC[NH2+][C@@H](C[C@@H](C)CC)c1cccc(C)n1 ZINC000104165432 169279480 /nfs/dbraw/zinc/27/94/80/169279480.db2.gz XWJJPQIEFADPTE-WFASDCNBSA-N 1 0 234.387 3.867 10 0 BHAERO CCC[NH2+][C@H](C[C@@H](C)CC)c1cccc(C)n1 ZINC000104165437 169289156 /nfs/dbraw/zinc/28/91/56/169289156.db2.gz XWJJPQIEFADPTE-SWLSCSKDSA-N 1 0 234.387 3.867 10 0 BHAERO CCC[NH2+][C@@H](C[C@H](C)CC)c1cccc(C)n1 ZINC000104165439 169279590 /nfs/dbraw/zinc/27/95/90/169279590.db2.gz XWJJPQIEFADPTE-DOMZBBRYSA-N 1 0 234.387 3.867 10 0 BHAERO CCC[NH2+][C@H](C[C@H](C)CC)c1cccc(C)n1 ZINC000104165445 169288892 /nfs/dbraw/zinc/28/88/92/169288892.db2.gz XWJJPQIEFADPTE-IUODEOHRSA-N 1 0 234.387 3.867 10 0 BHAERO CCCNc1c(C)c(CC)[nH+]c2ccccc21 ZINC000104168193 169293481 /nfs/dbraw/zinc/29/34/81/169293481.db2.gz JBFJOHZKQVBXBT-UHFFFAOYSA-N 1 0 228.339 3.928 10 0 BHAERO CCCC(=[NH2+])N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000104180635 168531661 /nfs/dbraw/zinc/53/16/61/168531661.db2.gz OFKQNELBPYOIES-IKMFHRHGSA-N 1 0 248.414 3.958 10 0 BHAERO CC[NH2+][C@@H]1C[C@H](C)CCc2c(C)cc(C)cc21 ZINC000104181231 170153930 /nfs/dbraw/zinc/15/39/30/170153930.db2.gz UDLLNDSNQWFHCY-BDJLRTHQSA-N 1 0 231.383 3.926 10 0 BHAERO CC[NH2+][C@H]1C[C@H](C)CCc2c(C)cc(C)cc21 ZINC000104181232 170169442 /nfs/dbraw/zinc/16/94/42/170169442.db2.gz UDLLNDSNQWFHCY-BZNIZROVSA-N 1 0 231.383 3.926 10 0 BHAERO CC[NH2+][C@@H]1C[C@@H](C)CCc2c(C)cc(C)cc21 ZINC000104181234 170153948 /nfs/dbraw/zinc/15/39/48/170153948.db2.gz UDLLNDSNQWFHCY-MEDUHNTESA-N 1 0 231.383 3.926 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](C)CCc2c(C)cc(C)cc21 ZINC000104181236 170169941 /nfs/dbraw/zinc/16/99/41/170169941.db2.gz UDLLNDSNQWFHCY-ZBEGNZNMSA-N 1 0 231.383 3.926 10 0 BHAERO [NH2+]=C(c1ccccc1)N1CCC2(CCCC2)CC1 ZINC000104184317 181206904 /nfs/dbraw/zinc/20/69/04/181206904.db2.gz BPRQOKCYVQKJOH-UHFFFAOYSA-N 1 0 242.366 3.668 10 0 BHAERO Cc1ccccc1Sc1ccc(F)cc1C[NH3+] ZINC000104189469 179315883 /nfs/dbraw/zinc/31/58/83/179315883.db2.gz YQDDSUUODAHKJM-UHFFFAOYSA-N 1 0 247.338 3.744 10 0 BHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@H](C)CC ZINC000104206535 170162440 /nfs/dbraw/zinc/16/24/40/170162440.db2.gz QNPAUWXQLNOXKX-GDBMZVCRSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@@H](C)CC ZINC000104206539 170162302 /nfs/dbraw/zinc/16/23/02/170162302.db2.gz QNPAUWXQLNOXKX-GOEBONIOSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)[C@H](C)CC ZINC000104206544 170146190 /nfs/dbraw/zinc/14/61/90/170146190.db2.gz QNPAUWXQLNOXKX-ZBFHGGJFSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)[C@@H](C)CC ZINC000104206549 170146855 /nfs/dbraw/zinc/14/68/55/170146855.db2.gz QNPAUWXQLNOXKX-HOCLYGCPSA-N 1 0 233.399 3.870 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(F)cc1F)[C@H](C)CC ZINC000104206560 170162276 /nfs/dbraw/zinc/16/22/76/170162276.db2.gz SCPVGJUWGWWREQ-QMTHXVAHSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](Cc1ccc(F)cc1F)[C@@H](C)CC ZINC000104206564 170162320 /nfs/dbraw/zinc/16/23/20/170162320.db2.gz SCPVGJUWGWWREQ-IINYFYTJSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@H](C)CC ZINC000104206568 170146802 /nfs/dbraw/zinc/14/68/02/170146802.db2.gz SCPVGJUWGWWREQ-YGRLFVJLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@@H](C)CC ZINC000104206575 170146582 /nfs/dbraw/zinc/14/65/82/170146582.db2.gz SCPVGJUWGWWREQ-HZMBPMFUSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@H](C)CC ZINC000104208104 170164097 /nfs/dbraw/zinc/16/40/97/170164097.db2.gz SLXLSIVMEHQZJE-WBMJQRKESA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@@H](C)CC ZINC000104208109 170164246 /nfs/dbraw/zinc/16/42/46/170164246.db2.gz SLXLSIVMEHQZJE-LRDDRELGSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@H](C)CC ZINC000104208114 170148411 /nfs/dbraw/zinc/14/84/11/170148411.db2.gz SLXLSIVMEHQZJE-MLGOLLRUSA-N 1 0 242.366 3.932 10 0 BHAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@@H](C)CC ZINC000104208118 170148290 /nfs/dbraw/zinc/14/82/90/170148290.db2.gz SLXLSIVMEHQZJE-BLLLJJGKSA-N 1 0 242.366 3.932 10 0 BHAERO C[NH2+][C@H](CCc1csc2ccccc12)C1CC1 ZINC000104223523 173452900 /nfs/dbraw/zinc/45/29/00/173452900.db2.gz ULKPLQSERFQCJH-CQSZACIVSA-N 1 0 245.391 3.832 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000104225758 170796490 /nfs/dbraw/zinc/79/64/90/170796490.db2.gz VJENSERXYOXBGR-BXKDBHETSA-N 1 0 245.288 3.621 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000104225762 171396622 /nfs/dbraw/zinc/39/66/22/171396622.db2.gz VJENSERXYOXBGR-JOYOIKCWSA-N 1 0 245.288 3.621 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000104225770 171372888 /nfs/dbraw/zinc/37/28/88/171372888.db2.gz VJENSERXYOXBGR-CABZTGNLSA-N 1 0 245.288 3.621 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000104227318 171396468 /nfs/dbraw/zinc/39/64/68/171396468.db2.gz PRDMOMIBUWYDCM-SWLSCSKDSA-N 1 0 233.399 3.900 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000104227323 171372164 /nfs/dbraw/zinc/37/21/64/171372164.db2.gz PRDMOMIBUWYDCM-WFASDCNBSA-N 1 0 233.399 3.900 10 0 BHAERO CC[C@H](C)[C@H]([NH2+]C)c1cnc2ccccc2c1 ZINC000104227332 171399024 /nfs/dbraw/zinc/39/90/24/171399024.db2.gz COKWYVNDWMWZHA-NHYWBVRUSA-N 1 0 228.339 3.541 10 0 BHAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cnc2ccccc2c1 ZINC000104227336 170779811 /nfs/dbraw/zinc/77/98/11/170779811.db2.gz COKWYVNDWMWZHA-IAQYHMDHSA-N 1 0 228.339 3.541 10 0 BHAERO CC[C@H](C)[C@@H]([NH2+]C)c1cnc2ccccc2c1 ZINC000104227339 171373166 /nfs/dbraw/zinc/37/31/66/171373166.db2.gz COKWYVNDWMWZHA-XHDPSFHLSA-N 1 0 228.339 3.541 10 0 BHAERO CCCOc1ccc([C@H]([NH2+]C)[C@@H](C)CC)cc1 ZINC000104228882 169322234 /nfs/dbraw/zinc/32/22/34/169322234.db2.gz KNHGOCRWCWASJQ-SWLSCSKDSA-N 1 0 235.371 3.782 10 0 BHAERO CCCOc1ccc([C@@H]([NH2+]C)[C@@H](C)CC)cc1 ZINC000104228885 169321842 /nfs/dbraw/zinc/32/18/42/169321842.db2.gz KNHGOCRWCWASJQ-WFASDCNBSA-N 1 0 235.371 3.782 10 0 BHAERO CCCOc1ccc([C@H]([NH2+]C)[C@H](C)CC)cc1 ZINC000104228887 169322214 /nfs/dbraw/zinc/32/22/14/169322214.db2.gz KNHGOCRWCWASJQ-IUODEOHRSA-N 1 0 235.371 3.782 10 0 BHAERO CCCOc1ccc([C@@H]([NH2+]C)[C@H](C)CC)cc1 ZINC000104228889 169321717 /nfs/dbraw/zinc/32/17/17/169321717.db2.gz KNHGOCRWCWASJQ-DOMZBBRYSA-N 1 0 235.371 3.782 10 0 BHAERO CC[C@H](C)[C@H]([NH2+]C)c1cccc2cnccc21 ZINC000104228896 171399142 /nfs/dbraw/zinc/39/91/42/171399142.db2.gz JVKDECRWJIBGEY-NHYWBVRUSA-N 1 0 228.339 3.541 10 0 BHAERO CC[C@H](C)[C@@H]([NH2+]C)c1cccc2cnccc21 ZINC000104228901 171373939 /nfs/dbraw/zinc/37/39/39/171373939.db2.gz JVKDECRWJIBGEY-XHDPSFHLSA-N 1 0 228.339 3.541 10 0 BHAERO CC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H](C)CC ZINC000104228919 170162674 /nfs/dbraw/zinc/16/26/74/170162674.db2.gz QBXUPJLQXFFYPC-QMTHXVAHSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@H](Cc1cc(F)ccc1F)[C@@H](C)CC ZINC000104228922 170162571 /nfs/dbraw/zinc/16/25/71/170162571.db2.gz QBXUPJLQXFFYPC-IINYFYTJSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H](C)CC ZINC000104228926 170146815 /nfs/dbraw/zinc/14/68/15/170146815.db2.gz QBXUPJLQXFFYPC-YGRLFVJLSA-N 1 0 241.325 3.532 10 0 BHAERO CC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@@H](C)CC ZINC000104228927 170146196 /nfs/dbraw/zinc/14/61/96/170146196.db2.gz QBXUPJLQXFFYPC-HZMBPMFUSA-N 1 0 241.325 3.532 10 0 BHAERO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104232989 187302464 /nfs/dbraw/zinc/30/24/64/187302464.db2.gz RITPHDQPNYFBOW-UAGQMJEPSA-N 1 0 243.394 3.829 10 0 BHAERO Cc1cc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)s1 ZINC000104233004 178024196 /nfs/dbraw/zinc/02/41/96/178024196.db2.gz XJNSQIVZWNAHAY-GUTXKFCHSA-N 1 0 249.423 3.891 10 0 BHAERO Cc1cc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c(C)s1 ZINC000104233009 178024296 /nfs/dbraw/zinc/02/42/96/178024296.db2.gz XJNSQIVZWNAHAY-GZBFAFLISA-N 1 0 249.423 3.891 10 0 BHAERO CCc1ccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000104237559 171806984 /nfs/dbraw/zinc/80/69/84/171806984.db2.gz NAJZNJIBHZPLEW-YNEHKIRRSA-N 1 0 249.423 3.836 10 0 BHAERO CCCN(CC)c1ccc(C[C@H]([NH3+])CC)cc1C ZINC000104254341 169133077 /nfs/dbraw/zinc/13/30/77/169133077.db2.gz CPZMXHKPIAESAC-OAHLLOKOSA-N 1 0 248.414 3.511 10 0 BHAERO CCCN(CC)c1ccc(C[C@@H]([NH3+])CC)cc1C ZINC000104254345 169133785 /nfs/dbraw/zinc/13/37/85/169133785.db2.gz CPZMXHKPIAESAC-HNNXBMFYSA-N 1 0 248.414 3.511 10 0 BHAERO Cc1ccccc1[C@](C)([NH3+])CCc1cccs1 ZINC000104264850 179350189 /nfs/dbraw/zinc/35/01/89/179350189.db2.gz PDXFOUFSRMUPCP-OAHLLOKOSA-N 1 0 245.391 3.863 10 0 BHAERO Cc1ccccc1[C@@](C)([NH3+])CCc1cccs1 ZINC000104264854 179332635 /nfs/dbraw/zinc/33/26/35/179332635.db2.gz PDXFOUFSRMUPCP-HNNXBMFYSA-N 1 0 245.391 3.863 10 0 BHAERO C[C@@]([NH3+])(CCc1cccs1)c1ccccc1F ZINC000104264858 176511955 /nfs/dbraw/zinc/51/19/55/176511955.db2.gz VVFCUIHPVHRDGU-CQSZACIVSA-N 1 0 249.354 3.694 10 0 BHAERO CCCN(c1ccc(C[C@@H](C)[NH3+])c(C)c1)C(C)C ZINC000104276292 169182846 /nfs/dbraw/zinc/18/28/46/169182846.db2.gz WTTPQFNFJDTWRZ-CQSZACIVSA-N 1 0 248.414 3.510 10 0 BHAERO CCCN(c1ccc(C[C@H](C)[NH3+])c(C)c1)C(C)C ZINC000104276294 169182751 /nfs/dbraw/zinc/18/27/51/169182751.db2.gz WTTPQFNFJDTWRZ-AWEZNQCLSA-N 1 0 248.414 3.510 10 0 BHAERO CCC(CC)N(C)c1ccccc1C[C@H]([NH3+])CC ZINC000104278360 168369088 /nfs/dbraw/zinc/36/90/88/168369088.db2.gz QFUHOWFNHNGHCU-CQSZACIVSA-N 1 0 248.414 3.591 10 0 BHAERO CCC(CC)N(C)c1ccccc1C[C@@H]([NH3+])CC ZINC000104278364 168369667 /nfs/dbraw/zinc/36/96/67/168369667.db2.gz QFUHOWFNHNGHCU-AWEZNQCLSA-N 1 0 248.414 3.591 10 0 BHAERO CCC(CC)N(C)c1ccc(C[C@H]([NH3+])CC)cc1 ZINC000104280357 168369642 /nfs/dbraw/zinc/36/96/42/168369642.db2.gz SKQMJQMQHBBCKB-CQSZACIVSA-N 1 0 248.414 3.591 10 0 BHAERO CCC(CC)N(C)c1ccc(C[C@@H]([NH3+])CC)cc1 ZINC000104280361 168369724 /nfs/dbraw/zinc/36/97/24/168369724.db2.gz SKQMJQMQHBBCKB-AWEZNQCLSA-N 1 0 248.414 3.591 10 0 BHAERO C[NH2+]Cc1ccc(Sc2cccc(C)c2)cc1 ZINC000104283885 188324370 /nfs/dbraw/zinc/32/43/70/188324370.db2.gz NOXRZPXJICLJGM-UHFFFAOYSA-N 1 0 243.375 3.866 10 0 BHAERO Cc1cccc(Sc2ccc(C[NH3+])c(C)c2)c1 ZINC000104285130 179177774 /nfs/dbraw/zinc/17/77/74/179177774.db2.gz MVVXSBQAWSUHOA-UHFFFAOYSA-N 1 0 243.375 3.913 10 0 BHAERO Cc1ccc(C)c(Oc2ccccc2CC[NH3+])c1 ZINC000104289096 178493113 /nfs/dbraw/zinc/49/31/13/178493113.db2.gz KOPKNLPCDXARMQ-UHFFFAOYSA-N 1 0 241.334 3.597 10 0 BHAERO Cc1cccc(Oc2ccc(CC[NH3+])cc2C)c1 ZINC000104292460 179175798 /nfs/dbraw/zinc/17/57/98/179175798.db2.gz FTNQAVCULNLGOB-UHFFFAOYSA-N 1 0 241.334 3.597 10 0 BHAERO C[NH2+]Cc1ccccc1Sc1ccc(C)cc1 ZINC000104297040 173390649 /nfs/dbraw/zinc/39/06/49/173390649.db2.gz RXKPXUWBNRYVLK-UHFFFAOYSA-N 1 0 243.375 3.866 10 0 BHAERO Cc1cc(Oc2ccccc2)ccc1C[C@@H](C)[NH3+] ZINC000104301091 178216139 /nfs/dbraw/zinc/21/61/39/178216139.db2.gz PFUSYHDDRWVEDM-CYBMUJFWSA-N 1 0 241.334 3.677 10 0 BHAERO Cc1cc(Oc2ccccc2)ccc1C[C@H](C)[NH3+] ZINC000104301096 178216226 /nfs/dbraw/zinc/21/62/26/178216226.db2.gz PFUSYHDDRWVEDM-ZDUSSCGKSA-N 1 0 241.334 3.677 10 0 BHAERO C[NH2+]Cc1ccccc1Sc1cccc(C)c1 ZINC000104301879 173390177 /nfs/dbraw/zinc/39/01/77/173390177.db2.gz DDRJLFWRCJPFCM-UHFFFAOYSA-N 1 0 243.375 3.866 10 0 BHAERO C[NH2+][C@H](C[C@H]1CCCc2ccccc21)C(C)C ZINC000104306234 173453717 /nfs/dbraw/zinc/45/37/17/173453717.db2.gz KULRESIEPJDMKN-GDBMZVCRSA-N 1 0 231.383 3.741 10 0 BHAERO C[C@@H]1CCC[C@H](SC[C@H]([NH3+])c2ccccc2)C1 ZINC000104309334 176146281 /nfs/dbraw/zinc/14/62/81/176146281.db2.gz JNWMRRKNYKIATM-SNPRPXQTSA-N 1 0 249.423 3.998 10 0 BHAERO C[C@@H]1CCC[C@@H](SC[C@H]([NH3+])c2ccccc2)C1 ZINC000104309338 176125417 /nfs/dbraw/zinc/12/54/17/176125417.db2.gz JNWMRRKNYKIATM-YUELXQCFSA-N 1 0 249.423 3.998 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])C[C@@H]1CCCc2ccccc21 ZINC000104310767 171396896 /nfs/dbraw/zinc/39/68/96/171396896.db2.gz SCBYLOANZRHPHO-DUVNUKRYSA-N 1 0 231.383 3.870 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])C[C@@H]1CCCc2ccccc21 ZINC000104310770 170779190 /nfs/dbraw/zinc/77/91/90/170779190.db2.gz SCBYLOANZRHPHO-INWMFGNUSA-N 1 0 231.383 3.870 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])C[C@@H]1CCCc2ccccc21 ZINC000104310773 171372144 /nfs/dbraw/zinc/37/21/44/171372144.db2.gz SCBYLOANZRHPHO-NOLJZWGESA-N 1 0 231.383 3.870 10 0 BHAERO CCC(CC)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104313486 168388376 /nfs/dbraw/zinc/38/83/76/168388376.db2.gz DHYGEAPWDFSWPN-AWEZNQCLSA-N 1 0 231.383 3.885 10 0 BHAERO CCC(CC)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000104313488 168387941 /nfs/dbraw/zinc/38/79/41/168387941.db2.gz DHYGEAPWDFSWPN-CQSZACIVSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104314686 169369727 /nfs/dbraw/zinc/36/97/27/169369727.db2.gz NDMNTSBBHVGXKF-HIFRSBDPSA-N 1 0 231.383 3.885 10 0 BHAERO CCC[C@@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000104314695 169371034 /nfs/dbraw/zinc/37/10/34/169371034.db2.gz NDMNTSBBHVGXKF-UKRRQHHQSA-N 1 0 231.383 3.885 10 0 BHAERO CC(C)C[NH2+]CC[C@@H]1CCCc2ccccc21 ZINC000104316303 167005025 /nfs/dbraw/zinc/00/50/25/167005025.db2.gz ZNNKEKPBOYJHMO-HNNXBMFYSA-N 1 0 231.383 3.742 10 0 BHAERO CC(C)C[NH2+]CC[C@H]1CCCc2ccccc21 ZINC000104316307 167005330 /nfs/dbraw/zinc/00/53/30/167005330.db2.gz ZNNKEKPBOYJHMO-OAHLLOKOSA-N 1 0 231.383 3.742 10 0 BHAERO C[NH2+][C@@H]1CCC[C@H]1C[C@@H]1CCCc2ccccc21 ZINC000104319055 173434800 /nfs/dbraw/zinc/43/48/00/173434800.db2.gz TXYZWUJQUIEJFE-YQQAZPJKSA-N 1 0 243.394 3.885 10 0 BHAERO [NH3+][C@@H](CSc1ccccc1F)c1ccccc1 ZINC000104326755 187292142 /nfs/dbraw/zinc/29/21/42/187292142.db2.gz XZQRFADDXBGUCH-ZDUSSCGKSA-N 1 0 247.338 3.618 10 0 BHAERO CSc1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000104330261 175584316 /nfs/dbraw/zinc/58/43/16/175584316.db2.gz XVZACYFUNGSWIG-UHFFFAOYSA-N 1 0 245.347 3.660 10 0 BHAERO CCC[NH2+][C@@H](C)c1cccc(-c2ccccn2)c1 ZINC000104330408 169276757 /nfs/dbraw/zinc/27/67/57/169276757.db2.gz BXHGHRBXBIFXBD-ZDUSSCGKSA-N 1 0 240.350 3.809 10 0 BHAERO CCC[NH2+][C@H](C)c1cccc(-c2ccccn2)c1 ZINC000104330413 169286748 /nfs/dbraw/zinc/28/67/48/169286748.db2.gz BXHGHRBXBIFXBD-CYBMUJFWSA-N 1 0 240.350 3.809 10 0 BHAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2cccs2)c1 ZINC000104331052 178835049 /nfs/dbraw/zinc/83/50/49/178835049.db2.gz KOJYXBZRLHQWAW-LLVKDONJSA-N 1 0 247.363 3.655 10 0 BHAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2ccsc2)c1 ZINC000104331059 178835191 /nfs/dbraw/zinc/83/51/91/178835191.db2.gz QRKVTLGYYXKUKG-LLVKDONJSA-N 1 0 247.363 3.655 10 0 BHAERO CC[C@H](C)COc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000104345086 171291293 /nfs/dbraw/zinc/29/12/93/171291293.db2.gz ACHSNAQLXWJIOK-WCQYABFASA-N 1 0 235.371 3.700 10 0 BHAERO CC[C@H](C)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000104345092 171291021 /nfs/dbraw/zinc/29/10/21/171291021.db2.gz ACHSNAQLXWJIOK-AAEUAGOBSA-N 1 0 235.371 3.700 10 0 BHAERO C[C@@H]1CCC[N@H+](CCCNc2ccccc2)CC1 ZINC000104367392 176097836 /nfs/dbraw/zinc/09/78/36/176097836.db2.gz AUONOTCZKPMYCZ-OAHLLOKOSA-N 1 0 246.398 3.611 10 0 BHAERO C[C@H]1CCC[N@H+](CCCNc2ccccc2)CC1 ZINC000104367394 177097472 /nfs/dbraw/zinc/09/74/72/177097472.db2.gz AUONOTCZKPMYCZ-HNNXBMFYSA-N 1 0 246.398 3.611 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH2+]C)c1cc(C)ccn1 ZINC000104380843 170968663 /nfs/dbraw/zinc/96/86/63/170968663.db2.gz YTOLNYFTNQMQOF-YCPHGPKFSA-N 1 0 246.398 3.867 10 0 BHAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH2+]C)c1cc(C)ccn1 ZINC000104380848 170971508 /nfs/dbraw/zinc/97/15/08/170971508.db2.gz YTOLNYFTNQMQOF-FMKPAKJESA-N 1 0 246.398 3.867 10 0 BHAERO CC[NH2+][C@H](c1ccccn1)[C@H]1CCCC[C@H]1CC ZINC000104383743 170165269 /nfs/dbraw/zinc/16/52/69/170165269.db2.gz FDAYUTWHZVNIOX-YCPHGPKFSA-N 1 0 246.398 3.949 10 0 BHAERO CC[NH2+][C@H](c1ccccn1)[C@H]1CCCC[C@@H]1CC ZINC000104383746 170165294 /nfs/dbraw/zinc/16/52/94/170165294.db2.gz FDAYUTWHZVNIOX-DZKIICNBSA-N 1 0 246.398 3.949 10 0 BHAERO CC[NH2+][C@H](c1ccccn1)[C@@H]1CCCC[C@H]1CC ZINC000104383748 170165134 /nfs/dbraw/zinc/16/51/34/170165134.db2.gz FDAYUTWHZVNIOX-FMKPAKJESA-N 1 0 246.398 3.949 10 0 BHAERO CC[NH2+][C@H](c1ccccn1)[C@@H]1CCCC[C@@H]1CC ZINC000104383751 170165080 /nfs/dbraw/zinc/16/50/80/170165080.db2.gz FDAYUTWHZVNIOX-LZWOXQAQSA-N 1 0 246.398 3.949 10 0 BHAERO CCC[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2CC)c1 ZINC000104386450 169268812 /nfs/dbraw/zinc/26/88/12/169268812.db2.gz CYNTVFWJGSUZDQ-LSDHHAIUSA-N 1 0 249.402 3.524 10 0 BHAERO CCC[NH2+]Cc1cnn([C@H]2CCCC[C@@H]2CC)c1 ZINC000104386455 169269782 /nfs/dbraw/zinc/26/97/82/169269782.db2.gz CYNTVFWJGSUZDQ-GJZGRUSLSA-N 1 0 249.402 3.524 10 0 BHAERO CCC[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2CC)c1 ZINC000104386459 169269055 /nfs/dbraw/zinc/26/90/55/169269055.db2.gz CYNTVFWJGSUZDQ-HUUCEWRRSA-N 1 0 249.402 3.524 10 0 BHAERO CCC[NH2+]Cc1cnn([C@H]2CCCC[C@H]2CC)c1 ZINC000104386462 169269231 /nfs/dbraw/zinc/26/92/31/169269231.db2.gz CYNTVFWJGSUZDQ-CABCVRRESA-N 1 0 249.402 3.524 10 0 BHAERO CCCOC[C@H]([NH2+]CC)[C@@H]1CCCC[C@@H]1CC ZINC000104388761 169309460 /nfs/dbraw/zinc/30/94/60/169309460.db2.gz SGCATKDDKGRHNP-ZNMIVQPWSA-N 1 0 241.419 3.608 10 0 BHAERO CCCOC[C@@H]([NH2+]CC)[C@@H]1CCCC[C@@H]1CC ZINC000104388765 169309829 /nfs/dbraw/zinc/30/98/29/169309829.db2.gz SGCATKDDKGRHNP-RRFJBIMHSA-N 1 0 241.419 3.608 10 0 BHAERO CCCOC[C@H]([NH2+]CC)[C@H]1CCCC[C@@H]1CC ZINC000104388768 169309542 /nfs/dbraw/zinc/30/95/42/169309542.db2.gz SGCATKDDKGRHNP-KKUMJFAQSA-N 1 0 241.419 3.608 10 0 BHAERO CCCOC[C@@H]([NH2+]CC)[C@H]1CCCC[C@@H]1CC ZINC000104388772 169309963 /nfs/dbraw/zinc/30/99/63/169309963.db2.gz SGCATKDDKGRHNP-SOUVJXGZSA-N 1 0 241.419 3.608 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH3+])COc1ccccc1 ZINC000104390464 170968110 /nfs/dbraw/zinc/96/81/10/170968110.db2.gz ZVKWJKVGYQQMFS-VNQPRFMTSA-N 1 0 247.382 3.609 10 0 BHAERO CCC[C@@H](C)[NH2+]CCn1ccc2cc(F)ccc21 ZINC000104409870 169369887 /nfs/dbraw/zinc/36/98/87/169369887.db2.gz UGYIQUOXFDNOFT-GFCCVEGCSA-N 1 0 248.345 3.559 10 0 BHAERO CCC[C@H](C)[NH2+]CCn1ccc2cc(F)ccc21 ZINC000104409873 169493228 /nfs/dbraw/zinc/49/32/28/169493228.db2.gz UGYIQUOXFDNOFT-LBPRGKRZSA-N 1 0 248.345 3.559 10 0 BHAERO CCC[NH2+][C@@H](CCC(C)C)c1cc(C)ccn1 ZINC000104415080 169277953 /nfs/dbraw/zinc/27/79/53/169277953.db2.gz DLHVGNPXIGZCIK-AWEZNQCLSA-N 1 0 234.387 3.867 10 0 BHAERO CCC[NH2+][C@H](CCC(C)C)c1cc(C)ccn1 ZINC000104415083 169288971 /nfs/dbraw/zinc/28/89/71/169288971.db2.gz DLHVGNPXIGZCIK-CQSZACIVSA-N 1 0 234.387 3.867 10 0 BHAERO CC[NH2+][C@@H]1C[C@H](C)c2ccc(OC(C)C)cc21 ZINC000104418984 170153973 /nfs/dbraw/zinc/15/39/73/170153973.db2.gz ZGITYVVTVBMKKM-XHDPSFHLSA-N 1 0 233.355 3.632 10 0 BHAERO CC[NH2+][C@H]1C[C@H](C)c2ccc(OC(C)C)cc21 ZINC000104418986 170169993 /nfs/dbraw/zinc/16/99/93/170169993.db2.gz ZGITYVVTVBMKKM-NHYWBVRUSA-N 1 0 233.355 3.632 10 0 BHAERO CC[NH2+][C@@H]1C[C@@H](C)c2ccc(OC(C)C)cc21 ZINC000104418987 170154120 /nfs/dbraw/zinc/15/41/20/170154120.db2.gz ZGITYVVTVBMKKM-IAQYHMDHSA-N 1 0 233.355 3.632 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](C)c2ccc(OC(C)C)cc21 ZINC000104418989 170169441 /nfs/dbraw/zinc/16/94/41/170169441.db2.gz ZGITYVVTVBMKKM-ABAIWWIYSA-N 1 0 233.355 3.632 10 0 BHAERO CCC[NH2+][C@@H]1C[C@@H]2CCCCc3cccc1c32 ZINC000104418991 169284567 /nfs/dbraw/zinc/28/45/67/169284567.db2.gz RQZZWRQTYHVXFO-DZGCQCFKSA-N 1 0 229.367 3.941 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H]2CCCCc3cccc1c32 ZINC000104418993 169293028 /nfs/dbraw/zinc/29/30/28/169293028.db2.gz RQZZWRQTYHVXFO-ZFWWWQNUSA-N 1 0 229.367 3.941 10 0 BHAERO CCC[NH2+][C@@H]1C[C@H]2CCCCc3cccc1c32 ZINC000104418996 169284219 /nfs/dbraw/zinc/28/42/19/169284219.db2.gz RQZZWRQTYHVXFO-UKRRQHHQSA-N 1 0 229.367 3.941 10 0 BHAERO CCC[NH2+][C@H]1C[C@H]2CCCCc3cccc1c32 ZINC000104418998 169292832 /nfs/dbraw/zinc/29/28/32/169292832.db2.gz RQZZWRQTYHVXFO-HIFRSBDPSA-N 1 0 229.367 3.941 10 0 BHAERO CC[C@H]([NH2+]Cc1ccnc2ccccc12)C(C)C ZINC000104428316 171532060 /nfs/dbraw/zinc/53/20/60/171532060.db2.gz AWYQEAUHJSEIMQ-HNNXBMFYSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccnc2ccccc12)C(C)C ZINC000104428319 170902697 /nfs/dbraw/zinc/90/26/97/170902697.db2.gz AWYQEAUHJSEIMQ-OAHLLOKOSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@@H]1CCCC[C@@H]1Oc1cccc(C[NH2+]C)c1 ZINC000104428965 170968678 /nfs/dbraw/zinc/96/86/78/170968678.db2.gz REKDDOTWJQVISR-ZBFHGGJFSA-N 1 0 247.382 3.754 10 0 BHAERO CC[C@H]1CCCC[C@@H]1Oc1cccc(C[NH2+]C)c1 ZINC000104428967 171610768 /nfs/dbraw/zinc/61/07/68/171610768.db2.gz REKDDOTWJQVISR-HOCLYGCPSA-N 1 0 247.382 3.754 10 0 BHAERO CCC(CC)[C@@H](C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000104430422 168399697 /nfs/dbraw/zinc/39/96/97/168399697.db2.gz HOIBMRXCRUTYEI-SNVBAGLBSA-N 1 0 248.345 3.791 10 0 BHAERO CCC(CC)[C@H](C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000104430427 168405179 /nfs/dbraw/zinc/40/51/79/168405179.db2.gz HOIBMRXCRUTYEI-JTQLQIEISA-N 1 0 248.345 3.791 10 0 BHAERO Cc1cccc(Sc2ccccc2CC[NH3+])c1 ZINC000104432005 179177104 /nfs/dbraw/zinc/17/71/04/179177104.db2.gz WROKBZQKKAZKSN-UHFFFAOYSA-N 1 0 243.375 3.647 10 0 BHAERO COc1ccccc1C[C@@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000104432790 175332599 /nfs/dbraw/zinc/33/25/99/175332599.db2.gz HVCZNODESYTCFE-JSGCOSHPSA-N 1 0 249.398 3.637 10 0 BHAERO COc1ccccc1C[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000104432794 175333127 /nfs/dbraw/zinc/33/31/27/175333127.db2.gz HVCZNODESYTCFE-OCCSQVGLSA-N 1 0 249.398 3.637 10 0 BHAERO COc1ccccc1C[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000104432799 175334006 /nfs/dbraw/zinc/33/40/06/175334006.db2.gz HVCZNODESYTCFE-GXTWGEPZSA-N 1 0 249.398 3.637 10 0 BHAERO COc1ccccc1C[C@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000104432803 175334003 /nfs/dbraw/zinc/33/40/03/175334003.db2.gz HVCZNODESYTCFE-TZMCWYRMSA-N 1 0 249.398 3.637 10 0 BHAERO CCC(CC)[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000104433205 168405801 /nfs/dbraw/zinc/40/58/01/168405801.db2.gz GTRLWQSKEBJYAX-LBPRGKRZSA-N 1 0 235.371 3.610 10 0 BHAERO CCC(CC)[C@@H](C)[NH2+]Cc1cc(C)n(C)c1C ZINC000104435933 168399891 /nfs/dbraw/zinc/39/98/91/168399891.db2.gz BPHUNKJYSHIXPG-GFCCVEGCSA-N 1 0 236.403 3.556 10 0 BHAERO C[C@@H]1CCC[C@H](Sc2ccccc2CC[NH3+])C1 ZINC000104437480 176145940 /nfs/dbraw/zinc/14/59/40/176145940.db2.gz XECUXGUGRJTAIM-OCCSQVGLSA-N 1 0 249.423 3.859 10 0 BHAERO C[C@H]1CCC[C@H](Sc2ccccc2CC[NH3+])C1 ZINC000104437485 177139438 /nfs/dbraw/zinc/13/94/38/177139438.db2.gz XECUXGUGRJTAIM-JSGCOSHPSA-N 1 0 249.423 3.859 10 0 BHAERO C[C@@H]1CCC[C@@H](Sc2ccccc2CC[NH3+])C1 ZINC000104437489 176125336 /nfs/dbraw/zinc/12/53/36/176125336.db2.gz XECUXGUGRJTAIM-TZMCWYRMSA-N 1 0 249.423 3.859 10 0 BHAERO C[C@H]1CCC[C@@H](Sc2ccccc2CC[NH3+])C1 ZINC000104437492 177123655 /nfs/dbraw/zinc/12/36/55/177123655.db2.gz XECUXGUGRJTAIM-GXTWGEPZSA-N 1 0 249.423 3.859 10 0 BHAERO C[C@@H](C[C@H]([NH3+])c1ccc2c(c1)CCO2)C(C)(C)C ZINC000104439197 175766882 /nfs/dbraw/zinc/76/68/82/175766882.db2.gz JMFXUMJQOVPHML-FZMZJTMJSA-N 1 0 247.382 3.694 10 0 BHAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000104439496 168399887 /nfs/dbraw/zinc/39/98/87/168399887.db2.gz HHTDVEHUTBVZJO-SNVBAGLBSA-N 1 0 241.325 3.879 10 0 BHAERO Cc1cc(SC2CCCC2)ccc1C[C@@H](C)[NH3+] ZINC000104440964 178218910 /nfs/dbraw/zinc/21/89/10/178218910.db2.gz CYKHTLJJEDLRNZ-GFCCVEGCSA-N 1 0 249.423 3.919 10 0 BHAERO Cc1cc(SC2CCCC2)ccc1C[C@H](C)[NH3+] ZINC000104440967 178218964 /nfs/dbraw/zinc/21/89/64/178218964.db2.gz CYKHTLJJEDLRNZ-LBPRGKRZSA-N 1 0 249.423 3.919 10 0 BHAERO CC1(C[NH2+][C@@H]2CCOc3ccccc32)CCCC1 ZINC000104442326 168045144 /nfs/dbraw/zinc/04/51/44/168045144.db2.gz VTJDOIQLZFFLEZ-CQSZACIVSA-N 1 0 245.366 3.680 10 0 BHAERO CC1(C[NH2+][C@H]2CCOc3ccccc32)CCCC1 ZINC000104442329 168046743 /nfs/dbraw/zinc/04/67/43/168046743.db2.gz VTJDOIQLZFFLEZ-AWEZNQCLSA-N 1 0 245.366 3.680 10 0 BHAERO CCC(CC)[C@H](C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000104445745 168405185 /nfs/dbraw/zinc/40/51/85/168405185.db2.gz GWJKSSATHHCNNV-VIFPVBQESA-N 1 0 249.333 3.755 10 0 BHAERO CC1(C[NH2+][C@@H]2CCc3ccccc3C2)CCCC1 ZINC000104448568 168045659 /nfs/dbraw/zinc/04/56/59/168045659.db2.gz LBDMCEFRQKUBJT-MRXNPFEDSA-N 1 0 243.394 3.714 10 0 BHAERO CC1(C[NH2+][C@H]2CCc3ccccc3C2)CCCC1 ZINC000104448570 168047373 /nfs/dbraw/zinc/04/73/73/168047373.db2.gz LBDMCEFRQKUBJT-INIZCTEOSA-N 1 0 243.394 3.714 10 0 BHAERO C#[N+]c1ccc(C(F)(F)F)cc1Cl ZINC000104899192 183317264 /nfs/dbraw/zinc/31/72/64/183317264.db2.gz AHSRJHOJFJPMRN-UHFFFAOYSA-N 1 0 205.566 3.910 10 0 BHAERO C#[N+]c1ccc(C(F)(F)F)c(Cl)c1 ZINC000104899231 183317077 /nfs/dbraw/zinc/31/70/77/183317077.db2.gz GRBFBCRMNRTEMF-UHFFFAOYSA-N 1 0 205.566 3.910 10 0 BHAERO C#[N+]c1ccc(OC(F)(F)F)cc1Cl ZINC000104899292 183317117 /nfs/dbraw/zinc/31/71/17/183317117.db2.gz MPTMKMOTFCKFSE-UHFFFAOYSA-N 1 0 221.565 3.789 10 0 BHAERO C#[N+]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000104899298 183317511 /nfs/dbraw/zinc/31/75/11/183317511.db2.gz AFKNYMBHDPFTQH-UHFFFAOYSA-N 1 0 221.565 3.789 10 0 BHAERO C#[N+]c1cc(C(F)(F)F)ccc1SC ZINC000104899484 183317059 /nfs/dbraw/zinc/31/70/59/183317059.db2.gz WWDJAVAUYHNWFG-UHFFFAOYSA-N 1 0 217.215 3.978 10 0 BHAERO C#[N+]c1cccc(SC(F)(F)F)c1 ZINC000104899545 183317051 /nfs/dbraw/zinc/31/70/51/183317051.db2.gz QAGMYHRXOFRGOZ-UHFFFAOYSA-N 1 0 203.188 3.849 10 0 BHAERO C#[N+]c1ccc(SC(F)(F)F)cc1 ZINC000104899576 183317064 /nfs/dbraw/zinc/31/70/64/183317064.db2.gz SVQDSFUZLGUSBG-UHFFFAOYSA-N 1 0 203.188 3.849 10 0 BHAERO C#[N+]c1c(F)cc(Cl)cc1Br ZINC000104899817 183317682 /nfs/dbraw/zinc/31/76/82/183317682.db2.gz SKIVLTGYXBMCFT-UHFFFAOYSA-N 1 0 234.455 3.792 10 0 BHAERO C#[N+]c1c(Cl)cc(F)cc1Br ZINC000104899880 183317066 /nfs/dbraw/zinc/31/70/66/183317066.db2.gz XIHKYBFQHZLELE-UHFFFAOYSA-N 1 0 234.455 3.792 10 0 BHAERO C#[N+]c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000104900052 183317726 /nfs/dbraw/zinc/31/77/26/183317726.db2.gz LLLZYBNHWMEXLB-UHFFFAOYSA-N 1 0 218.256 3.584 10 0 BHAERO C#[N+]c1cccc(NC(=O)OC(C)(C)C)c1C ZINC000104900060 183317052 /nfs/dbraw/zinc/31/70/52/183317052.db2.gz YDDKTTZWOVPYLW-UHFFFAOYSA-N 1 0 232.283 3.893 10 0 BHAERO C#[N+]c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000104900064 183317310 /nfs/dbraw/zinc/31/73/10/183317310.db2.gz QWUJGOIESPJIMM-UHFFFAOYSA-N 1 0 218.256 3.584 10 0 BHAERO CCC1=C(C)/C(=C\c2ccc(O)cc2)[NH+]=C1C ZINC000105133163 188271613 /nfs/dbraw/zinc/27/16/13/188271613.db2.gz HCGSNSFXQIWHPR-OQLLNIDSSA-N 1 0 227.307 3.934 10 0 BHAERO Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12 ZINC000105737285 178337356 /nfs/dbraw/zinc/33/73/56/178337356.db2.gz UMNWWADASVPBFE-UHFFFAOYSA-N 1 0 236.318 3.927 10 0 BHAERO CCCC[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000105838165 343411891 /nfs/dbraw/zinc/41/18/91/343411891.db2.gz XJYFQILKUNRYRE-UHFFFAOYSA-N 1 0 235.415 3.983 10 0 BHAERO C[C@@H](C[NH2+][C@@H]1CC[C@H](C)CC1)c1ccccc1 ZINC000106211767 177193455 /nfs/dbraw/zinc/19/34/55/177193455.db2.gz VPEQBFOGFZDOAW-DZKIICNBSA-N 1 0 231.383 3.958 10 0 BHAERO C[C@H](C[NH2+][C@@H]1CC[C@H](C)CC1)c1ccccc1 ZINC000106211771 177192942 /nfs/dbraw/zinc/19/29/42/177192942.db2.gz VPEQBFOGFZDOAW-IIAWOOMASA-N 1 0 231.383 3.958 10 0 BHAERO Cc1ccc(C)c(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106211779 178475424 /nfs/dbraw/zinc/47/54/24/178475424.db2.gz SACJSVUYVDIAFZ-YGUOUDRMSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106211783 177901388 /nfs/dbraw/zinc/90/13/88/177901388.db2.gz OPRSZHCLNFULFI-YGUOUDRMSA-N 1 0 231.383 3.972 10 0 BHAERO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC000106211788 179037883 /nfs/dbraw/zinc/03/78/83/179037883.db2.gz VOLVQNNVRFYNIJ-NNUKFRKNSA-N 1 0 231.383 3.972 10 0 BHAERO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000106227169 177193575 /nfs/dbraw/zinc/19/35/75/177193575.db2.gz UZOXDYVBDSHRHC-MQMHXKEQSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000106227176 177192975 /nfs/dbraw/zinc/19/29/75/177192975.db2.gz PXMVVXFFZTUSEE-NNUKFRKNSA-N 1 0 242.366 3.836 10 0 BHAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000106227181 177193189 /nfs/dbraw/zinc/19/31/89/177193189.db2.gz PGAKNYUODGXNRZ-NNUKFRKNSA-N 1 0 242.366 3.836 10 0 BHAERO CCCCc1ccc(C[NH2+]C2CCC2)cc1 ZINC000107285448 169020941 /nfs/dbraw/zinc/02/09/41/169020941.db2.gz SOROQGUMBSNBPB-UHFFFAOYSA-N 1 0 217.356 3.671 10 0 BHAERO Cc1cc(C(C)(C)C)ccc1CCCCC[NH3+] ZINC000107289730 187462038 /nfs/dbraw/zinc/46/20/38/187462038.db2.gz QNCPZVDDCPNYLF-UHFFFAOYSA-N 1 0 233.399 3.964 10 0 BHAERO CC[NH2+]CCc1ccc(Oc2ccccc2)cc1 ZINC000107291668 170117619 /nfs/dbraw/zinc/11/76/19/170117619.db2.gz UTXZZYAUSAKHKT-UHFFFAOYSA-N 1 0 241.334 3.631 10 0 BHAERO CCc1ccc2[nH]cc(CCC[NH2+]C(C)C)c2c1 ZINC000107292284 188151692 /nfs/dbraw/zinc/15/16/92/188151692.db2.gz ZNXCCCJSULIHKH-UHFFFAOYSA-N 1 0 244.382 3.661 10 0 BHAERO CC[NH2+]CCCc1c(C)[nH]c2ccc(CC)cc21 ZINC000107292294 170113215 /nfs/dbraw/zinc/11/32/15/170113215.db2.gz KEXNVEXVPXPMDO-UHFFFAOYSA-N 1 0 244.382 3.581 10 0 BHAERO CC[NH2+]CCCc1c[nH]c2ccc(C(C)C)cc12 ZINC000107292302 170113465 /nfs/dbraw/zinc/11/34/65/170113465.db2.gz DIKZQCMDIHPGGR-UHFFFAOYSA-N 1 0 244.382 3.833 10 0 BHAERO CC[NH2+]CCCc1c(C)[nH]c2c1cccc2CC ZINC000107292396 170114016 /nfs/dbraw/zinc/11/40/16/170114016.db2.gz UNDUIAUGAORYHT-UHFFFAOYSA-N 1 0 244.382 3.581 10 0 BHAERO CCCCOc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000107293491 168917804 /nfs/dbraw/zinc/91/78/04/168917804.db2.gz UPDSERFBGHTUTO-HNNXBMFYSA-N 1 0 247.382 3.550 10 0 BHAERO CCCCOc1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000107293494 168918086 /nfs/dbraw/zinc/91/80/86/168918086.db2.gz UPDSERFBGHTUTO-OAHLLOKOSA-N 1 0 247.382 3.550 10 0 BHAERO CC[NH2+]CCc1ccc(SC2CCCC2)cc1 ZINC000107294374 170116965 /nfs/dbraw/zinc/11/69/65/170116965.db2.gz ZPAZPTCKOYWODL-UHFFFAOYSA-N 1 0 249.423 3.873 10 0 BHAERO CCCCCCOc1ccc(CCCC[NH3+])cc1 ZINC000107576881 368502644 /nfs/dbraw/zinc/50/26/44/368502644.db2.gz IXCYEZGTGMOMLS-UHFFFAOYSA-N 1 0 249.398 3.927 10 0 BHAERO Cc1cc(C[C@@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000107618833 582792609 /nfs/dbraw/zinc/79/26/09/582792609.db2.gz IDPWADOIMDQFKN-ONGXEEELSA-N 1 0 225.763 3.564 10 0 BHAERO Cc1cc(C[C@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000107618837 582792515 /nfs/dbraw/zinc/79/25/15/582792515.db2.gz IDPWADOIMDQFKN-KOLCDFICSA-N 1 0 225.763 3.564 10 0 BHAERO Cc1ccc(OCC(C)C)c(C[NH2+]CC(C)C)c1 ZINC000109415160 178810852 /nfs/dbraw/zinc/81/08/52/178810852.db2.gz MMRUUYXROPAKEM-UHFFFAOYSA-N 1 0 249.398 3.775 10 0 BHAERO C#[N+]c1ccccc1OCc1ccccc1 ZINC000110096413 368710813 /nfs/dbraw/zinc/71/08/13/368710813.db2.gz FZJCCDZQKLSBHT-UHFFFAOYSA-N 1 0 209.248 3.816 10 0 BHAERO CCNc1c2ccc(F)c(C)c2[nH+]c(C)c1CC ZINC000110115296 170170440 /nfs/dbraw/zinc/17/04/40/170170440.db2.gz TVPVGSSDOPLTTL-UHFFFAOYSA-N 1 0 246.329 3.985 10 0 BHAERO CCCc1cc(NC)c2ccc(C)c(C)c2[nH+]1 ZINC000110448892 169566847 /nfs/dbraw/zinc/56/68/47/169566847.db2.gz YTHBVCMDJGUKBR-UHFFFAOYSA-N 1 0 228.339 3.846 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCC(C)C ZINC000110960510 170142268 /nfs/dbraw/zinc/14/22/68/170142268.db2.gz BNGXQLOTYGNNDW-ZDUSSCGKSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(C)C ZINC000110960513 170159003 /nfs/dbraw/zinc/15/90/03/170159003.db2.gz BNGXQLOTYGNNDW-CYBMUJFWSA-N 1 0 235.371 3.700 10 0 BHAERO CC[NH2+][C@@H](c1cc(C)ccn1)C1CCCCC1 ZINC000111681710 170148001 /nfs/dbraw/zinc/14/80/01/170148001.db2.gz LUJHZKMUXNBSDS-OAHLLOKOSA-N 1 0 232.371 3.621 10 0 BHAERO CC[NH2+][C@H](c1cc(C)ccn1)C1CCCCC1 ZINC000111681712 170163161 /nfs/dbraw/zinc/16/31/61/170163161.db2.gz LUJHZKMUXNBSDS-HNNXBMFYSA-N 1 0 232.371 3.621 10 0 BHAERO CCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000111728518 370172307 /nfs/dbraw/zinc/17/23/07/370172307.db2.gz XRBLAOMLIRAUCF-UHFFFAOYSA-N 1 0 228.339 3.515 10 0 BHAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728636 370171647 /nfs/dbraw/zinc/17/16/47/370171647.db2.gz YHFTVMSXDYMVQH-CHWSQXEVSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728638 370171772 /nfs/dbraw/zinc/17/17/72/370171772.db2.gz YHFTVMSXDYMVQH-QWHCGFSZSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728640 370172280 /nfs/dbraw/zinc/17/22/80/370172280.db2.gz YHFTVMSXDYMVQH-OLZOCXBDSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728641 370171768 /nfs/dbraw/zinc/17/17/68/370171768.db2.gz YHFTVMSXDYMVQH-STQMWFEESA-N 1 0 242.366 3.759 10 0 BHAERO CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2OCC ZINC000113613827 169292598 /nfs/dbraw/zinc/29/25/98/169292598.db2.gz RUJQTYZJYVHPMW-AAEUAGOBSA-N 1 0 233.355 3.633 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2OCC ZINC000113613833 169292848 /nfs/dbraw/zinc/29/28/48/169292848.db2.gz RUJQTYZJYVHPMW-YPMHNXCESA-N 1 0 233.355 3.633 10 0 BHAERO [NH3+]Cc1ccc(SC2CCCCCC2)cc1 ZINC000113986380 368914101 /nfs/dbraw/zinc/91/41/01/368914101.db2.gz LJWXYTITZCACPO-UHFFFAOYSA-N 1 0 235.396 3.960 10 0 BHAERO C[C@@H](CC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000113987274 345755193 /nfs/dbraw/zinc/75/51/93/345755193.db2.gz IQLIEAQDBHGARB-NSHDSACASA-N 1 0 205.345 3.685 10 0 BHAERO C[C@H](CC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000113987276 345755016 /nfs/dbraw/zinc/75/50/16/345755016.db2.gz IQLIEAQDBHGARB-LLVKDONJSA-N 1 0 205.345 3.685 10 0 BHAERO [NH3+]Cc1ccc(SCC2CCCCC2)cc1 ZINC000113987914 368915048 /nfs/dbraw/zinc/91/50/48/368915048.db2.gz LMCSZUVXLIESAS-UHFFFAOYSA-N 1 0 235.396 3.818 10 0 BHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000114201166 387614275 /nfs/dbraw/zinc/61/42/75/387614275.db2.gz MYVZVUITSPENIF-HNNXBMFYSA-N 1 0 247.386 3.517 10 0 BHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000114201167 387613278 /nfs/dbraw/zinc/61/32/78/387613278.db2.gz MYVZVUITSPENIF-OAHLLOKOSA-N 1 0 247.386 3.517 10 0 BHAERO CC(C)(C)C[NH+]1CCC(c2ccccc2O)CC1 ZINC000115311952 368988527 /nfs/dbraw/zinc/98/85/27/368988527.db2.gz JEMVKBWCGONDMF-UHFFFAOYSA-N 1 0 247.382 3.618 10 0 BHAERO C[N@@H+]1CC[C@@H](c2ccccc2)c2ccccc2C1 ZINC000115652811 348608460 /nfs/dbraw/zinc/60/84/60/348608460.db2.gz JUDFPLFJXMPVJA-KRWDZBQOSA-N 1 0 237.346 3.654 10 0 BHAERO C[N@@H+]1CC[C@H](c2ccccc2)c2ccccc2C1 ZINC000115652813 348608484 /nfs/dbraw/zinc/60/84/84/348608484.db2.gz JUDFPLFJXMPVJA-QGZVFWFLSA-N 1 0 237.346 3.654 10 0 BHAERO Clc1ccccc1CCC1=[NH+]CCC1 ZINC000116065176 368343496 /nfs/dbraw/zinc/34/34/96/368343496.db2.gz MOXGFXGRKQNLDC-UHFFFAOYSA-N 1 0 207.704 3.507 10 0 BHAERO OCCCCCCCCCC[NH+]1CCCCC1 ZINC000116084673 369019425 /nfs/dbraw/zinc/01/94/25/369019425.db2.gz AYOXEIVBNUICEW-UHFFFAOYSA-N 1 0 241.419 3.585 10 0 BHAERO [NH2+]=C(Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000116173614 342921947 /nfs/dbraw/zinc/92/19/47/342921947.db2.gz HBWWSNBOIVPZMY-UHFFFAOYSA-N 1 0 244.725 3.972 10 0 BHAERO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116287424 370750892 /nfs/dbraw/zinc/75/08/92/370750892.db2.gz DZDRRHGRHHEGHZ-GFCCVEGCSA-N 1 0 221.344 3.853 10 0 BHAERO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116287427 370751488 /nfs/dbraw/zinc/75/14/88/370751488.db2.gz DZDRRHGRHHEGHZ-LBPRGKRZSA-N 1 0 221.344 3.853 10 0 BHAERO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116287650 386930757 /nfs/dbraw/zinc/93/07/57/386930757.db2.gz JONFFXLGHSUHGT-AWEZNQCLSA-N 1 0 245.297 3.756 10 0 BHAERO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116287652 386930433 /nfs/dbraw/zinc/93/04/33/386930433.db2.gz JONFFXLGHSUHGT-CQSZACIVSA-N 1 0 245.297 3.756 10 0 BHAERO c1coc([C@@H]2CCC[N@H+]2CC2CCCC2)c1 ZINC000116287713 386930374 /nfs/dbraw/zinc/93/03/74/386930374.db2.gz WMDOHYMXHDQDAX-ZDUSSCGKSA-N 1 0 219.328 3.607 10 0 BHAERO c1coc([C@H]2CCC[N@H+]2CC2CCCC2)c1 ZINC000116287716 183513580 /nfs/dbraw/zinc/51/35/80/183513580.db2.gz WMDOHYMXHDQDAX-CYBMUJFWSA-N 1 0 219.328 3.607 10 0 BHAERO c1coc([C@H]2CCC[N@H+]2CCc2ccccc2)c1 ZINC000116288120 183391630 /nfs/dbraw/zinc/39/16/30/183391630.db2.gz SOPAGSZMAZXOAD-OAHLLOKOSA-N 1 0 241.334 3.659 10 0 BHAERO c1coc([C@@H]2CCC[N@H+]2CCc2ccccc2)c1 ZINC000116288124 183391036 /nfs/dbraw/zinc/39/10/36/183391036.db2.gz SOPAGSZMAZXOAD-HNNXBMFYSA-N 1 0 241.334 3.659 10 0 BHAERO c1coc([C@@H]2CCC[N@H+]2CCc2cccs2)c1 ZINC000116290208 588975457 /nfs/dbraw/zinc/97/54/57/588975457.db2.gz NGXVIFRLAWZTPB-ZDUSSCGKSA-N 1 0 247.363 3.721 10 0 BHAERO c1coc([C@H]2CCC[N@H+]2CCc2cccs2)c1 ZINC000116290210 588975410 /nfs/dbraw/zinc/97/54/10/588975410.db2.gz NGXVIFRLAWZTPB-CYBMUJFWSA-N 1 0 247.363 3.721 10 0 BHAERO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290377 181012152 /nfs/dbraw/zinc/01/21/52/181012152.db2.gz HTAZWEYQNUVTGW-CQSZACIVSA-N 1 0 245.297 3.756 10 0 BHAERO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290380 181011256 /nfs/dbraw/zinc/01/12/56/181011256.db2.gz HTAZWEYQNUVTGW-AWEZNQCLSA-N 1 0 245.297 3.756 10 0 BHAERO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116292435 179273538 /nfs/dbraw/zinc/27/35/38/179273538.db2.gz UPVVFIAVPIBPDL-OAHLLOKOSA-N 1 0 241.334 3.925 10 0 BHAERO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116292439 179274012 /nfs/dbraw/zinc/27/40/12/179274012.db2.gz UPVVFIAVPIBPDL-HNNXBMFYSA-N 1 0 241.334 3.925 10 0 BHAERO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116296827 386933254 /nfs/dbraw/zinc/93/32/54/386933254.db2.gz IZWVUBMXWMVQBT-CQSZACIVSA-N 1 0 245.297 3.756 10 0 BHAERO Fc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116296831 386932850 /nfs/dbraw/zinc/93/28/50/386932850.db2.gz IZWVUBMXWMVQBT-AWEZNQCLSA-N 1 0 245.297 3.756 10 0 BHAERO c1ccc(-c2[nH+]c3ccccc3c3c2CCN3)cc1 ZINC000117013466 342940835 /nfs/dbraw/zinc/94/08/35/342940835.db2.gz PZZTXICVCLBAGO-UHFFFAOYSA-N 1 0 246.313 3.870 10 0 BHAERO CCCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000117876275 387030583 /nfs/dbraw/zinc/03/05/83/387030583.db2.gz NXERGDNZVQAOCF-GFCCVEGCSA-N 1 0 238.400 3.860 10 0 BHAERO CCCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000117884335 388725926 /nfs/dbraw/zinc/72/59/26/388725926.db2.gz JPENOTYGNNCMPJ-GFCCVEGCSA-N 1 0 207.317 3.607 10 0 BHAERO CCCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000117884338 388725909 /nfs/dbraw/zinc/72/59/09/388725909.db2.gz JPENOTYGNNCMPJ-LBPRGKRZSA-N 1 0 207.317 3.607 10 0 BHAERO C[NH2+]CC[C@@H](c1c[nH]c2ccccc21)C(C)(C)C ZINC000117949677 343022074 /nfs/dbraw/zinc/02/20/74/343022074.db2.gz HOYQQIJAQIFCEW-AWEZNQCLSA-N 1 0 244.382 3.907 10 0 BHAERO C[NH2+]CC[C@H](c1c[nH]c2ccccc21)C(C)(C)C ZINC000117949680 343022025 /nfs/dbraw/zinc/02/20/25/343022025.db2.gz HOYQQIJAQIFCEW-CQSZACIVSA-N 1 0 244.382 3.907 10 0 BHAERO C[NH2+]CC[C@H](c1c[nH]c2ccccc21)C(C)C ZINC000117952202 343021977 /nfs/dbraw/zinc/02/19/77/343021977.db2.gz KWMHBKWETCPHTG-LBPRGKRZSA-N 1 0 230.355 3.517 10 0 BHAERO C[NH2+]CC[C@@H](c1c[nH]c2ccccc21)C(C)C ZINC000117952205 343021946 /nfs/dbraw/zinc/02/19/46/343021946.db2.gz KWMHBKWETCPHTG-GFCCVEGCSA-N 1 0 230.355 3.517 10 0 BHAERO C[NH2+]Cc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000118147896 343043152 /nfs/dbraw/zinc/04/31/52/343043152.db2.gz LBLPBWHJUFIFLB-UHFFFAOYSA-N 1 0 239.362 3.732 10 0 BHAERO CC(C)(C)Cc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)N2 ZINC000118230249 368345045 /nfs/dbraw/zinc/34/50/45/368345045.db2.gz ZUZZBOQXZJXRPT-ZDUSSCGKSA-N 1 0 246.398 3.869 10 0 BHAERO CC(C)(C)Cc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)N2 ZINC000118230250 368345121 /nfs/dbraw/zinc/34/51/21/368345121.db2.gz ZUZZBOQXZJXRPT-CYBMUJFWSA-N 1 0 246.398 3.869 10 0 BHAERO c1ccc(C[NH2+]CCCC2CCCCC2)nc1 ZINC000119527032 410086446 /nfs/dbraw/zinc/08/64/46/410086446.db2.gz RCZNSUSWULSGMS-UHFFFAOYSA-N 1 0 232.371 3.532 10 0 BHAERO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000119599090 387143763 /nfs/dbraw/zinc/14/37/63/387143763.db2.gz OLYZRMYPPLTILO-VXGBXAGGSA-N 1 0 238.400 3.716 10 0 BHAERO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000119599221 171279033 /nfs/dbraw/zinc/27/90/33/171279033.db2.gz OLYZRMYPPLTILO-NWDGAFQWSA-N 1 0 238.400 3.716 10 0 BHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000120039018 387151340 /nfs/dbraw/zinc/15/13/40/387151340.db2.gz KHSCZSWLBOMYOG-HNNXBMFYSA-N 1 0 247.386 3.517 10 0 BHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000120039151 387151358 /nfs/dbraw/zinc/15/13/58/387151358.db2.gz KHSCZSWLBOMYOG-OAHLLOKOSA-N 1 0 247.386 3.517 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000120422037 387244587 /nfs/dbraw/zinc/24/45/87/387244587.db2.gz QAOORBBGXFXDGZ-TUKIKUTGSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000120422335 169513784 /nfs/dbraw/zinc/51/37/84/169513784.db2.gz QAOORBBGXFXDGZ-CQDKDKBSSA-N 1 0 233.355 3.534 10 0 BHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000120435970 387247196 /nfs/dbraw/zinc/24/71/96/387247196.db2.gz XTMUVFBESAEHFN-ATZCPNFKSA-N 1 0 238.400 3.634 10 0 BHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000120436267 387247607 /nfs/dbraw/zinc/24/76/07/387247607.db2.gz XTMUVFBESAEHFN-QXEWZRGKSA-N 1 0 238.400 3.634 10 0 BHAERO CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1F ZINC000120456304 323985127 /nfs/dbraw/zinc/98/51/27/323985127.db2.gz HRMAWBZQUPNZIG-PTRXPTGYSA-N 1 0 239.359 3.607 10 0 BHAERO CSc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1F ZINC000120456374 387186026 /nfs/dbraw/zinc/18/60/26/387186026.db2.gz HRMAWBZQUPNZIG-AUTRQRHGSA-N 1 0 239.359 3.607 10 0 BHAERO CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1F ZINC000120456495 387187084 /nfs/dbraw/zinc/18/70/84/387187084.db2.gz HRMAWBZQUPNZIG-VDDIYKPWSA-N 1 0 239.359 3.607 10 0 BHAERO CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1F ZINC000120456586 387185344 /nfs/dbraw/zinc/18/53/44/387185344.db2.gz HRMAWBZQUPNZIG-HOTUBEGUSA-N 1 0 239.359 3.607 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCCO2 ZINC000120484481 178287661 /nfs/dbraw/zinc/28/76/61/178287661.db2.gz ATIINSDTQIRREM-NWANDNLSSA-N 1 0 245.366 3.515 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1C[C@@H]1C)CCCO2 ZINC000120484788 178287213 /nfs/dbraw/zinc/28/72/13/178287213.db2.gz ATIINSDTQIRREM-CFVMTHIKSA-N 1 0 245.366 3.515 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000120540912 387187844 /nfs/dbraw/zinc/18/78/44/387187844.db2.gz PJJWYEXGTUQZRU-XHNCKOQMSA-N 1 0 229.776 3.851 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000120541223 387189374 /nfs/dbraw/zinc/18/93/74/387189374.db2.gz PJJWYEXGTUQZRU-CIUDSAMLSA-N 1 0 229.776 3.851 10 0 BHAERO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C1CCCC1 ZINC000122012805 589549863 /nfs/dbraw/zinc/54/98/63/589549863.db2.gz YERPLASAEGDKQB-STQMWFEESA-N 1 0 249.373 3.925 10 0 BHAERO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C1CCCC1 ZINC000122012982 589549811 /nfs/dbraw/zinc/54/98/11/589549811.db2.gz YERPLASAEGDKQB-OLZOCXBDSA-N 1 0 249.373 3.925 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C1CCCC1 ZINC000122013165 589550012 /nfs/dbraw/zinc/55/00/12/589550012.db2.gz YERPLASAEGDKQB-QWHCGFSZSA-N 1 0 249.373 3.925 10 0 BHAERO C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C1CCCC1 ZINC000122013362 589549849 /nfs/dbraw/zinc/54/98/49/589549849.db2.gz YERPLASAEGDKQB-CHWSQXEVSA-N 1 0 249.373 3.925 10 0 BHAERO COc1ccc2oc(C[NH2+][C@H](C)C(C)C)cc2c1 ZINC000122969791 324070234 /nfs/dbraw/zinc/07/02/34/324070234.db2.gz PQBVIGAGIYABDB-LLVKDONJSA-N 1 0 247.338 3.576 10 0 BHAERO COc1ccc2oc(C[NH2+][C@@H](C)C(C)C)cc2c1 ZINC000122970003 324070601 /nfs/dbraw/zinc/07/06/01/324070601.db2.gz PQBVIGAGIYABDB-NSHDSACASA-N 1 0 247.338 3.576 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123157699 324093030 /nfs/dbraw/zinc/09/30/30/324093030.db2.gz WZFQKKQICCFVSD-REBRKWNGSA-N 1 0 229.367 3.567 10 0 BHAERO Cc1oc2ccccc2c1C[NH2+][C@@H](C)C(C)C ZINC000123228259 387671067 /nfs/dbraw/zinc/67/10/67/387671067.db2.gz WCOAJJMRZAINRK-NSHDSACASA-N 1 0 231.339 3.875 10 0 BHAERO Cc1oc2ccccc2c1C[NH2+][C@H](C)C(C)C ZINC000123228445 180534778 /nfs/dbraw/zinc/53/47/78/180534778.db2.gz WCOAJJMRZAINRK-LLVKDONJSA-N 1 0 231.339 3.875 10 0 BHAERO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2ccccc2n1 ZINC000123266215 177187391 /nfs/dbraw/zinc/18/73/91/177187391.db2.gz WVIHZPMVTJFUDN-BETUJISGSA-N 1 0 240.350 3.608 10 0 BHAERO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc2ccccc2n1 ZINC000123266436 177199711 /nfs/dbraw/zinc/19/97/11/177199711.db2.gz WVIHZPMVTJFUDN-STQMWFEESA-N 1 0 240.350 3.608 10 0 BHAERO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2ccccc2n1 ZINC000123266608 176200091 /nfs/dbraw/zinc/20/00/91/176200091.db2.gz WVIHZPMVTJFUDN-CHWSQXEVSA-N 1 0 240.350 3.608 10 0 BHAERO CC(C)(C)CC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000123533200 343162211 /nfs/dbraw/zinc/16/22/11/343162211.db2.gz YAGDIQLFVGDWCD-UHFFFAOYSA-N 1 0 241.762 3.571 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123551956 388654730 /nfs/dbraw/zinc/65/47/30/388654730.db2.gz DQNSBUDELPHKPH-HBIQZDMRSA-N 1 0 249.320 3.886 10 0 BHAERO Cc1ccc(C[NH2+]C2CCC(C(C)C)CC2)nc1 ZINC000124026748 491121558 /nfs/dbraw/zinc/12/15/58/491121558.db2.gz LVLQTMUCPHNCPF-UHFFFAOYSA-N 1 0 246.398 3.694 10 0 BHAERO CC1(C)CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124478960 358517428 /nfs/dbraw/zinc/51/74/28/358517428.db2.gz MJXKOGLHTOALRJ-UHFFFAOYSA-N 1 0 240.350 3.609 10 0 BHAERO Cc1cccc(NCCCCC(F)(F)F)[nH+]1 ZINC000124492679 179143982 /nfs/dbraw/zinc/14/39/82/179143982.db2.gz IAMUWSMZXBFUBR-UHFFFAOYSA-N 1 0 232.249 3.535 10 0 BHAERO CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124733110 169191584 /nfs/dbraw/zinc/19/15/84/169191584.db2.gz BPCKNMIIIQNNIF-GFCCVEGCSA-N 1 0 207.317 3.525 10 0 BHAERO CCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124733391 169191693 /nfs/dbraw/zinc/19/16/93/169191693.db2.gz BPCKNMIIIQNNIF-LBPRGKRZSA-N 1 0 207.317 3.525 10 0 BHAERO CC(C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000125263317 388671085 /nfs/dbraw/zinc/67/10/85/388671085.db2.gz UZEVHCMYROFLMG-CQSZACIVSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000125263536 324636467 /nfs/dbraw/zinc/63/64/67/324636467.db2.gz UZEVHCMYROFLMG-AWEZNQCLSA-N 1 0 217.356 3.698 10 0 BHAERO CC(C)[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000125499301 582825266 /nfs/dbraw/zinc/82/52/66/582825266.db2.gz MIDWMMYSBGMPCN-UHFFFAOYSA-N 1 0 221.319 3.593 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000125658750 388673058 /nfs/dbraw/zinc/67/30/58/388673058.db2.gz LSBWOXXBAKJKQS-STQMWFEESA-N 1 0 209.377 3.757 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000125658984 388672833 /nfs/dbraw/zinc/67/28/33/388672833.db2.gz LSBWOXXBAKJKQS-QWHCGFSZSA-N 1 0 209.377 3.757 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000125659237 388674251 /nfs/dbraw/zinc/67/42/51/388674251.db2.gz LSBWOXXBAKJKQS-OLZOCXBDSA-N 1 0 209.377 3.757 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000125659480 388674719 /nfs/dbraw/zinc/67/47/19/388674719.db2.gz LSBWOXXBAKJKQS-CHWSQXEVSA-N 1 0 209.377 3.757 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000125672897 343174380 /nfs/dbraw/zinc/17/43/80/343174380.db2.gz WVDPZAFMGITGEZ-JTQLQIEISA-N 1 0 247.260 3.631 10 0 BHAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1C[C@H]1C ZINC000125954635 388684480 /nfs/dbraw/zinc/68/44/80/388684480.db2.gz MEVDMTQZOUBOCY-OVQZSQTJSA-N 1 0 235.758 3.741 10 0 BHAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1C[C@@H]1C ZINC000125954820 388684291 /nfs/dbraw/zinc/68/42/91/388684291.db2.gz MEVDMTQZOUBOCY-IIBQXWJOSA-N 1 0 235.758 3.741 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000125990258 171056393 /nfs/dbraw/zinc/05/63/93/171056393.db2.gz PSSMNMVASGXGLL-OCCSQVGLSA-N 1 0 207.361 3.655 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000125990654 171039764 /nfs/dbraw/zinc/03/97/64/171039764.db2.gz PSSMNMVASGXGLL-TZMCWYRMSA-N 1 0 207.361 3.655 10 0 BHAERO CCSCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000126239623 388692102 /nfs/dbraw/zinc/69/21/02/388692102.db2.gz HUFKONKRSVKMDZ-GFCCVEGCSA-N 1 0 237.412 3.653 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000126239833 324688512 /nfs/dbraw/zinc/68/85/12/324688512.db2.gz HUFKONKRSVKMDZ-LBPRGKRZSA-N 1 0 237.412 3.653 10 0 BHAERO CCSc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000126508851 388697134 /nfs/dbraw/zinc/69/71/34/388697134.db2.gz WTOABVPDEJEVPC-COPLHBTASA-N 1 0 235.396 3.858 10 0 BHAERO CCSc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000126509288 388696935 /nfs/dbraw/zinc/69/69/35/388696935.db2.gz WTOABVPDEJEVPC-MJVIPROJSA-N 1 0 235.396 3.858 10 0 BHAERO Cc1cc(Cl)c([C@H]([NH3+])C(C)C)cc1C ZINC000126838507 342728786 /nfs/dbraw/zinc/72/87/86/342728786.db2.gz PGSUHAQMIFQHSC-GFCCVEGCSA-N 1 0 211.736 3.613 10 0 BHAERO Cc1cc(Cl)c([C@@H]([NH3+])C(C)C)cc1C ZINC000126838717 342730033 /nfs/dbraw/zinc/73/00/33/342730033.db2.gz PGSUHAQMIFQHSC-LBPRGKRZSA-N 1 0 211.736 3.613 10 0 BHAERO CC(C)(C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000126883875 387697361 /nfs/dbraw/zinc/69/73/61/387697361.db2.gz XZCINTXBDRONKU-ZDUSSCGKSA-N 1 0 247.382 3.925 10 0 BHAERO CC(C)(C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000126884076 387697404 /nfs/dbraw/zinc/69/74/04/387697404.db2.gz XZCINTXBDRONKU-CYBMUJFWSA-N 1 0 247.382 3.925 10 0 BHAERO CC1(C)C[C@H]([NH2+]C2CCCC2)c2ccccc2O1 ZINC000126885220 388707783 /nfs/dbraw/zinc/70/77/83/388707783.db2.gz YMWRSDPCUIXHAK-AWEZNQCLSA-N 1 0 245.366 3.821 10 0 BHAERO CC1(C)C[C@@H]([NH2+]C2CCCC2)c2ccccc2O1 ZINC000126885506 323043990 /nfs/dbraw/zinc/04/39/90/323043990.db2.gz YMWRSDPCUIXHAK-CQSZACIVSA-N 1 0 245.366 3.821 10 0 BHAERO CSCCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000126907968 324732265 /nfs/dbraw/zinc/73/22/65/324732265.db2.gz PTMHPZJMWKQXAV-OLZOCXBDSA-N 1 0 243.460 3.934 10 0 BHAERO CSCCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000126908216 324732156 /nfs/dbraw/zinc/73/21/56/324732156.db2.gz PTMHPZJMWKQXAV-STQMWFEESA-N 1 0 243.460 3.934 10 0 BHAERO CSCCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000126908453 324732162 /nfs/dbraw/zinc/73/21/62/324732162.db2.gz PTMHPZJMWKQXAV-CHWSQXEVSA-N 1 0 243.460 3.934 10 0 BHAERO CSCCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000126908697 388708168 /nfs/dbraw/zinc/70/81/68/388708168.db2.gz PTMHPZJMWKQXAV-QWHCGFSZSA-N 1 0 243.460 3.934 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2C)nc1 ZINC000126938349 324733621 /nfs/dbraw/zinc/73/36/21/324733621.db2.gz FJJLFFHHKNJISW-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cnc(C)s1)C(C)C ZINC000126960076 490528809 /nfs/dbraw/zinc/52/88/09/490528809.db2.gz QXTWVFNDBHOYRF-ONGXEEELSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)C(C)C ZINC000126960318 490344623 /nfs/dbraw/zinc/34/46/23/490344623.db2.gz QXTWVFNDBHOYRF-GXSJLCMTSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)C(C)C ZINC000126960559 490528831 /nfs/dbraw/zinc/52/88/31/490528831.db2.gz QXTWVFNDBHOYRF-KOLCDFICSA-N 1 0 226.389 3.537 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cnc(C)s1)C(C)C ZINC000126960788 490529034 /nfs/dbraw/zinc/52/90/34/490529034.db2.gz QXTWVFNDBHOYRF-MWLCHTKSSA-N 1 0 226.389 3.537 10 0 BHAERO C[NH2+][C@@H](c1cc(C)c(C)s1)C(C)(C)C ZINC000126977278 353263849 /nfs/dbraw/zinc/26/38/49/353263849.db2.gz NIEJFWAWYORYPQ-NSHDSACASA-N 1 0 211.374 3.672 10 0 BHAERO C[NH2+][C@H](c1cc(C)c(C)s1)C(C)(C)C ZINC000126977500 345149628 /nfs/dbraw/zinc/14/96/28/345149628.db2.gz NIEJFWAWYORYPQ-LLVKDONJSA-N 1 0 211.374 3.672 10 0 BHAERO CC[C@@](C)([NH2+]C1CCCC1)c1nc(C)cs1 ZINC000126994931 324736601 /nfs/dbraw/zinc/73/66/01/324736601.db2.gz CZXNQKDNMKHYIG-CYBMUJFWSA-N 1 0 238.400 3.609 10 0 BHAERO CS[C@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000127349348 590625071 /nfs/dbraw/zinc/62/50/71/590625071.db2.gz OVRRGUPYNXJLJY-PQAZSJQKSA-N 1 0 241.444 3.686 10 0 BHAERO CS[C@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000127349618 590624888 /nfs/dbraw/zinc/62/48/88/590624888.db2.gz OVRRGUPYNXJLJY-HOAMVYINSA-N 1 0 241.444 3.686 10 0 BHAERO CS[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000127349793 590624816 /nfs/dbraw/zinc/62/48/16/590624816.db2.gz OVRRGUPYNXJLJY-NWINJMCUSA-N 1 0 241.444 3.686 10 0 BHAERO CS[C@@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000127350030 590624957 /nfs/dbraw/zinc/62/49/57/590624957.db2.gz OVRRGUPYNXJLJY-CLRIEMFWSA-N 1 0 241.444 3.686 10 0 BHAERO CC1CCC(C[NH2+]CC2(C3CC3)CC2)CC1 ZINC000127353410 168154802 /nfs/dbraw/zinc/15/48/02/168154802.db2.gz QFNIOYVCKWIRPT-UHFFFAOYSA-N 1 0 221.388 3.593 10 0 BHAERO CC(C)c1ccccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127677346 490552429 /nfs/dbraw/zinc/55/24/29/490552429.db2.gz OWOMPNRISBNKLO-ZIAGYGMSSA-N 1 0 246.398 3.705 10 0 BHAERO CC(C)c1ccccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127677578 490552671 /nfs/dbraw/zinc/55/26/71/490552671.db2.gz OWOMPNRISBNKLO-UONOGXRCSA-N 1 0 246.398 3.705 10 0 BHAERO CC(C)c1ccccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127677783 490552074 /nfs/dbraw/zinc/55/20/74/490552074.db2.gz OWOMPNRISBNKLO-KGLIPLIRSA-N 1 0 246.398 3.705 10 0 BHAERO CC(C)c1ccccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127678043 490552534 /nfs/dbraw/zinc/55/25/34/490552534.db2.gz OWOMPNRISBNKLO-KBPBESRZSA-N 1 0 246.398 3.705 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000127727004 384815932 /nfs/dbraw/zinc/81/59/32/384815932.db2.gz YULRBCMXPNSBCN-PRLABOORSA-N 1 0 229.367 3.711 10 0 BHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H]1C ZINC000127842675 322886075 /nfs/dbraw/zinc/88/60/75/322886075.db2.gz JBSYDWUQMJKKJT-UNJBNNCHSA-N 1 0 215.340 3.541 10 0 BHAERO CSC(C)(C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000128194123 590920059 /nfs/dbraw/zinc/92/00/59/590920059.db2.gz DXFOIEFXVZYECM-NEPJUHHUSA-N 1 0 243.460 3.932 10 0 BHAERO CSC(C)(C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000128194291 590920703 /nfs/dbraw/zinc/92/07/03/590920703.db2.gz DXFOIEFXVZYECM-RYUDHWBXSA-N 1 0 243.460 3.932 10 0 BHAERO CSC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000128194438 590920276 /nfs/dbraw/zinc/92/02/76/590920276.db2.gz DXFOIEFXVZYECM-VXGBXAGGSA-N 1 0 243.460 3.932 10 0 BHAERO CSC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000128194653 590920450 /nfs/dbraw/zinc/92/04/50/590920450.db2.gz DXFOIEFXVZYECM-NWDGAFQWSA-N 1 0 243.460 3.932 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000128424818 538562804 /nfs/dbraw/zinc/56/28/04/538562804.db2.gz RTEUQVYMQSCMKX-LBPRGKRZSA-N 1 0 223.703 3.742 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000128425069 538563043 /nfs/dbraw/zinc/56/30/43/538563043.db2.gz RTEUQVYMQSCMKX-GFCCVEGCSA-N 1 0 223.703 3.742 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000128469424 324842221 /nfs/dbraw/zinc/84/22/21/324842221.db2.gz WYJRQEPTQYNYJJ-CZXHOFHRSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000128480015 490580571 /nfs/dbraw/zinc/58/05/71/490580571.db2.gz SJUTVLHTRWAWEQ-SWLSCSKDSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000128480233 490580684 /nfs/dbraw/zinc/58/06/84/490580684.db2.gz SJUTVLHTRWAWEQ-IUODEOHRSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H](CC1CCC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000128480456 490580672 /nfs/dbraw/zinc/58/06/72/490580672.db2.gz SJUTVLHTRWAWEQ-WFASDCNBSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000128480617 490580331 /nfs/dbraw/zinc/58/03/31/490580331.db2.gz SJUTVLHTRWAWEQ-DOMZBBRYSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000128482188 324843712 /nfs/dbraw/zinc/84/37/12/324843712.db2.gz YDEWHHBCFHCTBG-WCQYABFASA-N 1 0 233.355 3.534 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000128482465 388763452 /nfs/dbraw/zinc/76/34/52/388763452.db2.gz YDEWHHBCFHCTBG-DGCLKSJQSA-N 1 0 233.355 3.534 10 0 BHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)C(C)(C)C ZINC000128482688 324843586 /nfs/dbraw/zinc/84/35/86/324843586.db2.gz YDEWHHBCFHCTBG-AAEUAGOBSA-N 1 0 233.355 3.534 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C(C)(C)C ZINC000128482895 388764907 /nfs/dbraw/zinc/76/49/07/388764907.db2.gz YDEWHHBCFHCTBG-YPMHNXCESA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000128483119 490580756 /nfs/dbraw/zinc/58/07/56/490580756.db2.gz UXTFCIHHPQLDER-VHDGCEQUSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000128483548 490580907 /nfs/dbraw/zinc/58/09/07/490580907.db2.gz UXTFCIHHPQLDER-BPLDGKMQSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(C)C ZINC000128772723 385071032 /nfs/dbraw/zinc/07/10/32/385071032.db2.gz WPOMLFUYNCSVEN-JQWIXIFHSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(C)C ZINC000128772953 345245157 /nfs/dbraw/zinc/24/51/57/345245157.db2.gz WPOMLFUYNCSVEN-CMPLNLGQSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(C)C ZINC000128773163 385070901 /nfs/dbraw/zinc/07/09/01/385070901.db2.gz WPOMLFUYNCSVEN-PWSUYJOCSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(C)C ZINC000128773411 170912398 /nfs/dbraw/zinc/91/23/98/170912398.db2.gz WPOMLFUYNCSVEN-ZYHUDNBSSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128938773 398098808 /nfs/dbraw/zinc/09/88/08/398098808.db2.gz LLFQVFDOMLFTNV-DGCLKSJQSA-N 1 0 233.355 3.677 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128938975 171347428 /nfs/dbraw/zinc/34/74/28/171347428.db2.gz LLFQVFDOMLFTNV-WCQYABFASA-N 1 0 233.355 3.677 10 0 BHAERO CC[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128939213 170759030 /nfs/dbraw/zinc/75/90/30/170759030.db2.gz LLFQVFDOMLFTNV-YPMHNXCESA-N 1 0 233.355 3.677 10 0 BHAERO CC[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128939448 171349042 /nfs/dbraw/zinc/34/90/42/171349042.db2.gz LLFQVFDOMLFTNV-AAEUAGOBSA-N 1 0 233.355 3.677 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000128948625 398099319 /nfs/dbraw/zinc/09/93/19/398099319.db2.gz QBMDTRXVWPEMSW-SMDDNHRTSA-N 1 0 245.366 3.677 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000128948793 398098777 /nfs/dbraw/zinc/09/87/77/398098777.db2.gz QBMDTRXVWPEMSW-BXUZGUMPSA-N 1 0 245.366 3.677 10 0 BHAERO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000128949002 176918170 /nfs/dbraw/zinc/91/81/70/176918170.db2.gz QBMDTRXVWPEMSW-FZMZJTMJSA-N 1 0 245.366 3.677 10 0 BHAERO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000128949260 398098765 /nfs/dbraw/zinc/09/87/65/398098765.db2.gz QBMDTRXVWPEMSW-RISCZKNCSA-N 1 0 245.366 3.677 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000129012201 178891968 /nfs/dbraw/zinc/89/19/68/178891968.db2.gz LBMSDFYLDFOBGN-LBPRGKRZSA-N 1 0 247.313 3.886 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000129012419 385098238 /nfs/dbraw/zinc/09/82/38/385098238.db2.gz LBMSDFYLDFOBGN-GFCCVEGCSA-N 1 0 247.313 3.886 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000129048881 388812611 /nfs/dbraw/zinc/81/26/11/388812611.db2.gz HQHYLYZJEOGEEE-JTQLQIEISA-N 1 0 243.803 3.744 10 0 BHAERO c1ccc(C[NH2+]C2CCC3(CCCC3)CC2)nc1 ZINC000129212975 490608377 /nfs/dbraw/zinc/60/83/77/490608377.db2.gz DHZPKAUMEFNQAU-UHFFFAOYSA-N 1 0 244.382 3.674 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000129236963 324930962 /nfs/dbraw/zinc/93/09/62/324930962.db2.gz JAHLOJJCNOGHQA-DZGCQCFKSA-N 1 0 229.367 3.842 10 0 BHAERO CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000129237213 388826528 /nfs/dbraw/zinc/82/65/28/388826528.db2.gz JAHLOJJCNOGHQA-UKRRQHHQSA-N 1 0 229.367 3.842 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000129237416 388826729 /nfs/dbraw/zinc/82/67/29/388826729.db2.gz JAHLOJJCNOGHQA-ZFWWWQNUSA-N 1 0 229.367 3.842 10 0 BHAERO CC1(C)CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000129237626 388826436 /nfs/dbraw/zinc/82/64/36/388826436.db2.gz JAHLOJJCNOGHQA-HIFRSBDPSA-N 1 0 229.367 3.842 10 0 BHAERO C[NH2+][C@H](c1ccsc1)C1(C)CCCC1 ZINC000129286367 351025583 /nfs/dbraw/zinc/02/55/83/351025583.db2.gz RYMSDMAEXUQMFJ-LLVKDONJSA-N 1 0 209.358 3.589 10 0 BHAERO C[NH2+][C@@H](c1ccsc1)C1(C)CCCC1 ZINC000129286567 353310003 /nfs/dbraw/zinc/31/00/03/353310003.db2.gz RYMSDMAEXUQMFJ-NSHDSACASA-N 1 0 209.358 3.589 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000129394534 187233291 /nfs/dbraw/zinc/23/32/91/187233291.db2.gz QRDHGXLJCLRYPJ-GXTWGEPZSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000129394741 358585845 /nfs/dbraw/zinc/58/58/45/358585845.db2.gz QRDHGXLJCLRYPJ-TZMCWYRMSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000129394977 192080171 /nfs/dbraw/zinc/08/01/71/192080171.db2.gz QRDHGXLJCLRYPJ-JSGCOSHPSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C)CC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000129395196 358586071 /nfs/dbraw/zinc/58/60/71/358586071.db2.gz QRDHGXLJCLRYPJ-OCCSQVGLSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)s2)cs1 ZINC000129416529 353319415 /nfs/dbraw/zinc/31/94/15/353319415.db2.gz JUVWVAVONTYKCR-SNVBAGLBSA-N 1 0 243.784 3.820 10 0 BHAERO Cc1cc([C@H]([NH3+])CC2CCCC2)cs1 ZINC000129451973 353128902 /nfs/dbraw/zinc/12/89/02/353128902.db2.gz BZMIEYPSQWGDPN-GFCCVEGCSA-N 1 0 209.358 3.637 10 0 BHAERO Cc1cc([C@@H]([NH3+])CC2CCCC2)cs1 ZINC000129452183 353129328 /nfs/dbraw/zinc/12/93/28/353129328.db2.gz BZMIEYPSQWGDPN-LBPRGKRZSA-N 1 0 209.358 3.637 10 0 BHAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000129670829 358592317 /nfs/dbraw/zinc/59/23/17/358592317.db2.gz YOOOBBQHQGVJPJ-YRGRVCCFSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000129671233 134612575 /nfs/dbraw/zinc/61/25/75/134612575.db2.gz YOOOBBQHQGVJPJ-MBNYWOFBSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(C)C ZINC000129716217 388868701 /nfs/dbraw/zinc/86/87/01/388868701.db2.gz OKNGKPMHRJJBRW-LSDHHAIUSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(C)C ZINC000129716456 388868595 /nfs/dbraw/zinc/86/85/95/388868595.db2.gz OKNGKPMHRJJBRW-HUUCEWRRSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(C)C ZINC000129716643 388868810 /nfs/dbraw/zinc/86/88/10/388868810.db2.gz OKNGKPMHRJJBRW-GJZGRUSLSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(C)C ZINC000129716849 324980321 /nfs/dbraw/zinc/98/03/21/324980321.db2.gz OKNGKPMHRJJBRW-CABCVRRESA-N 1 0 235.346 3.837 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129748200 388870070 /nfs/dbraw/zinc/87/00/70/388870070.db2.gz HPXQEFBZDLRMAE-QMTHXVAHSA-N 1 0 237.774 3.961 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129748397 388869461 /nfs/dbraw/zinc/86/94/61/388869461.db2.gz HPXQEFBZDLRMAE-IINYFYTJSA-N 1 0 237.774 3.961 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129748631 388869337 /nfs/dbraw/zinc/86/93/37/388869337.db2.gz HPXQEFBZDLRMAE-YGRLFVJLSA-N 1 0 237.774 3.961 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129748837 324982374 /nfs/dbraw/zinc/98/23/74/324982374.db2.gz HPXQEFBZDLRMAE-HZMBPMFUSA-N 1 0 237.774 3.961 10 0 BHAERO C[NH2+][C@@H](c1cc2sccc2s1)C1CC1 ZINC000129778555 356703368 /nfs/dbraw/zinc/70/33/68/356703368.db2.gz DZWZFVCXBBGMJQ-LLVKDONJSA-N 1 0 223.366 3.633 10 0 BHAERO C[NH2+][C@H](c1cc2sccc2s1)C1CC1 ZINC000129778731 356703566 /nfs/dbraw/zinc/70/35/66/356703566.db2.gz DZWZFVCXBBGMJQ-NSHDSACASA-N 1 0 223.366 3.633 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130103948 325013463 /nfs/dbraw/zinc/01/34/63/325013463.db2.gz NWEWMAVXJIICEQ-KXNHARMFSA-N 1 0 249.320 3.886 10 0 BHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC1CC1 ZINC000130156684 325018686 /nfs/dbraw/zinc/01/86/86/325018686.db2.gz SYXOGULPUJJYDE-HNNXBMFYSA-N 1 0 229.367 3.700 10 0 BHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC000130156903 325018568 /nfs/dbraw/zinc/01/85/68/325018568.db2.gz SYXOGULPUJJYDE-OAHLLOKOSA-N 1 0 229.367 3.700 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1cccs1 ZINC000130325513 325040378 /nfs/dbraw/zinc/04/03/78/325040378.db2.gz SDYWEKKMYZPCIV-WOPDTQHZSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1cccs1 ZINC000130325933 325040233 /nfs/dbraw/zinc/04/02/33/325040233.db2.gz SDYWEKKMYZPCIV-GRYCIOLGSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CSC(C)(C)C ZINC000130328146 591458270 /nfs/dbraw/zinc/45/82/70/591458270.db2.gz FARJVVWSSPHBSY-TUAOUCFPSA-N 1 0 229.433 3.685 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CSC(C)(C)C ZINC000130328598 591458796 /nfs/dbraw/zinc/45/87/96/591458796.db2.gz FARJVVWSSPHBSY-QJPTWQEYSA-N 1 0 229.433 3.685 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000130333701 134618396 /nfs/dbraw/zinc/61/83/96/134618396.db2.gz KARIKHBVMXNGIC-RTXFEEFZSA-N 1 0 235.396 3.904 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000130334089 358619474 /nfs/dbraw/zinc/61/94/74/358619474.db2.gz KARIKHBVMXNGIC-RAIGVLPGSA-N 1 0 235.396 3.904 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000130339539 325043172 /nfs/dbraw/zinc/04/31/72/325043172.db2.gz ZOMMBKOVWQXMKM-CFVMTHIKSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000130340010 325043737 /nfs/dbraw/zinc/04/37/37/325043737.db2.gz ZOMMBKOVWQXMKM-NWANDNLSSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1nc(C)sc1C ZINC000130342542 490377370 /nfs/dbraw/zinc/37/73/70/490377370.db2.gz PPETXXXUBFPCOZ-AXTRIDKLSA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1nc(C)sc1C ZINC000130342952 490377499 /nfs/dbraw/zinc/37/74/99/490377499.db2.gz PPETXXXUBFPCOZ-XXILOJSOSA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000130343388 325043816 /nfs/dbraw/zinc/04/38/16/325043816.db2.gz CINAPTZTGAVIKD-SUHUHFCYSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000130343816 325044088 /nfs/dbraw/zinc/04/40/88/325044088.db2.gz CINAPTZTGAVIKD-ZKYQVNSYSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000130345090 385036175 /nfs/dbraw/zinc/03/61/75/385036175.db2.gz PCSTWIJGFHFIGM-TUAOUCFPSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000130345534 325044063 /nfs/dbraw/zinc/04/40/63/325044063.db2.gz PCSTWIJGFHFIGM-QJPTWQEYSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000130348569 323010812 /nfs/dbraw/zinc/01/08/12/323010812.db2.gz PPCKBQYRCXOIMR-LOWVWBTDSA-N 1 0 221.344 3.681 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000130348992 325044420 /nfs/dbraw/zinc/04/44/20/325044420.db2.gz PPCKBQYRCXOIMR-DMDPSCGWSA-N 1 0 221.344 3.681 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000130351300 385241454 /nfs/dbraw/zinc/24/14/54/385241454.db2.gz RAMJDQJTUTVORJ-UMNHJUIQSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000130351610 385240991 /nfs/dbraw/zinc/24/09/91/385240991.db2.gz RAMJDQJTUTVORJ-HOSYDEDBSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1F ZINC000130352125 325044604 /nfs/dbraw/zinc/04/46/04/325044604.db2.gz ZENWBXSKHUNPKU-WDMOLILDSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC000130352565 325044476 /nfs/dbraw/zinc/04/44/76/325044476.db2.gz ZENWBXSKHUNPKU-MISXGVKJSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000130353865 325044591 /nfs/dbraw/zinc/04/45/91/325044591.db2.gz MIYNUXLMOLBJTO-CFVMTHIKSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000130354260 325044583 /nfs/dbraw/zinc/04/45/83/325044583.db2.gz MIYNUXLMOLBJTO-NWANDNLSSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000130358205 325044612 /nfs/dbraw/zinc/04/46/12/325044612.db2.gz WVJHNVIUOGFCFQ-GUTXKFCHSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000130358652 325044424 /nfs/dbraw/zinc/04/44/24/325044424.db2.gz WVJHNVIUOGFCFQ-GZBFAFLISA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1sccc1C ZINC000130359153 325045101 /nfs/dbraw/zinc/04/51/01/325045101.db2.gz JJVOJPQNAHCPCN-TUAOUCFPSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1sccc1C ZINC000130359559 325045093 /nfs/dbraw/zinc/04/50/93/325045093.db2.gz JJVOJPQNAHCPCN-QJPTWQEYSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)Cc1cccs1 ZINC000130360462 490380103 /nfs/dbraw/zinc/38/01/03/490380103.db2.gz WADPPWXNYMBSTP-MBNYWOFBSA-N 1 0 237.412 3.847 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000130366053 364091002 /nfs/dbraw/zinc/09/10/02/364091002.db2.gz UUIFNZFFAYFRCG-SUHUHFCYSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000130366466 323010804 /nfs/dbraw/zinc/01/08/04/323010804.db2.gz UUIFNZFFAYFRCG-ZKYQVNSYSA-N 1 0 221.319 3.665 10 0 BHAERO CC[C@@H](C)C[N@H+](CC)Cc1cccc2c1NCC2 ZINC000130582554 325068573 /nfs/dbraw/zinc/06/85/73/325068573.db2.gz TUCANINZPXWYNA-CYBMUJFWSA-N 1 0 246.398 3.523 10 0 BHAERO CC[C@H](C)C[N@H+](CC)Cc1cccc2c1NCC2 ZINC000130582791 325068694 /nfs/dbraw/zinc/06/86/94/325068694.db2.gz TUCANINZPXWYNA-ZDUSSCGKSA-N 1 0 246.398 3.523 10 0 BHAERO CC[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000130685498 358639378 /nfs/dbraw/zinc/63/93/78/358639378.db2.gz FPOJJMFHHTXYLW-GJZGRUSLSA-N 1 0 215.340 3.836 10 0 BHAERO CC[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000130685679 358639514 /nfs/dbraw/zinc/63/95/14/358639514.db2.gz FPOJJMFHHTXYLW-LSDHHAIUSA-N 1 0 215.340 3.836 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000130685904 134621969 /nfs/dbraw/zinc/62/19/69/134621969.db2.gz FPOJJMFHHTXYLW-CABCVRRESA-N 1 0 215.340 3.836 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000130686106 358639478 /nfs/dbraw/zinc/63/94/78/358639478.db2.gz FPOJJMFHHTXYLW-HUUCEWRRSA-N 1 0 215.340 3.836 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000130708430 325081546 /nfs/dbraw/zinc/08/15/46/325081546.db2.gz BUXQZOOOYQBKFS-HIFRSBDPSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000130708628 325081661 /nfs/dbraw/zinc/08/16/61/325081661.db2.gz BUXQZOOOYQBKFS-ZFWWWQNUSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000130708784 325081551 /nfs/dbraw/zinc/08/15/51/325081551.db2.gz BUXQZOOOYQBKFS-UKRRQHHQSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000130708972 325081816 /nfs/dbraw/zinc/08/18/16/325081816.db2.gz BUXQZOOOYQBKFS-DZGCQCFKSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130713603 325081672 /nfs/dbraw/zinc/08/16/72/325081672.db2.gz LYVNUHHSFYDURB-KGLIPLIRSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130713822 323011842 /nfs/dbraw/zinc/01/18/42/323011842.db2.gz LYVNUHHSFYDURB-KBPBESRZSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130714078 325082499 /nfs/dbraw/zinc/08/24/99/325082499.db2.gz LYVNUHHSFYDURB-ZIAGYGMSSA-N 1 0 215.340 3.754 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130714270 325082191 /nfs/dbraw/zinc/08/21/91/325082191.db2.gz LYVNUHHSFYDURB-UONOGXRCSA-N 1 0 215.340 3.754 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C(C)C ZINC000130747773 490452262 /nfs/dbraw/zinc/45/22/62/490452262.db2.gz FPBCZTSSIBHZTF-ZFWWWQNUSA-N 1 0 247.382 3.577 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C(C)C ZINC000130747989 490452559 /nfs/dbraw/zinc/45/25/59/490452559.db2.gz FPBCZTSSIBHZTF-DZGCQCFKSA-N 1 0 247.382 3.577 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C(C)C ZINC000130748220 490452044 /nfs/dbraw/zinc/45/20/44/490452044.db2.gz FPBCZTSSIBHZTF-HIFRSBDPSA-N 1 0 247.382 3.577 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C(C)C ZINC000130748432 490452648 /nfs/dbraw/zinc/45/26/48/490452648.db2.gz FPBCZTSSIBHZTF-UKRRQHHQSA-N 1 0 247.382 3.577 10 0 BHAERO C[C@@H]1CC[C@H]([NH3+])c2cc(Cl)cc(Cl)c21 ZINC000130979001 370568040 /nfs/dbraw/zinc/56/80/40/370568040.db2.gz XIZNRXPBBMKNJO-LDWIPMOCSA-N 1 0 230.138 3.891 10 0 BHAERO C[C@H]1CC[C@H]([NH3+])c2cc(Cl)cc(Cl)c21 ZINC000130979204 370568528 /nfs/dbraw/zinc/56/85/28/370568528.db2.gz XIZNRXPBBMKNJO-WKEGUHRASA-N 1 0 230.138 3.891 10 0 BHAERO c1cc2ccncc2c(NCC2CCCC2)c1 ZINC000131068252 325112612 /nfs/dbraw/zinc/11/26/12/325112612.db2.gz WAMSOISDNAEFOG-UHFFFAOYSA-N 1 0 226.323 3.837 10 0 BHAERO CC(C)=C[C@@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000131074991 371555364 /nfs/dbraw/zinc/55/53/64/371555364.db2.gz IIVWQQXOAVRZKS-GFCCVEGCSA-N 1 0 209.720 3.614 10 0 BHAERO CC(C)=C[C@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000131075198 353363719 /nfs/dbraw/zinc/36/37/19/353363719.db2.gz IIVWQQXOAVRZKS-LBPRGKRZSA-N 1 0 209.720 3.614 10 0 BHAERO CCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131668075 191015657 /nfs/dbraw/zinc/01/56/57/191015657.db2.gz SOIXVSIPWAAOEG-CQSZACIVSA-N 1 0 245.366 3.823 10 0 BHAERO CCC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131668272 191015847 /nfs/dbraw/zinc/01/58/47/191015847.db2.gz SOIXVSIPWAAOEG-AWEZNQCLSA-N 1 0 245.366 3.823 10 0 BHAERO CCC(CC)SCc1nccn1C(C)C ZINC000131708846 385355867 /nfs/dbraw/zinc/35/58/67/385355867.db2.gz BIKBPMUPRHPJMI-UHFFFAOYSA-N 1 0 226.389 3.886 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(Cl)c(OC)c1 ZINC000131711307 371658538 /nfs/dbraw/zinc/65/85/38/371658538.db2.gz GGBNFMPDYYATDO-LBPRGKRZSA-N 1 0 241.762 3.929 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(Cl)c(OC)c1 ZINC000131711525 371658674 /nfs/dbraw/zinc/65/86/74/371658674.db2.gz GGBNFMPDYYATDO-GFCCVEGCSA-N 1 0 241.762 3.929 10 0 BHAERO Cc1ccc2oc([C@H]([NH3+])CC(C)C)cc2c1 ZINC000131727230 538598300 /nfs/dbraw/zinc/59/83/00/538598300.db2.gz BFTLJSRSJQBQRH-GFCCVEGCSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1ccc2oc([C@@H]([NH3+])CC(C)C)cc2c1 ZINC000131727455 538598338 /nfs/dbraw/zinc/59/83/38/538598338.db2.gz BFTLJSRSJQBQRH-LBPRGKRZSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cccc2cc([C@H]([NH3+])CC(C)C)oc21 ZINC000131727662 538595765 /nfs/dbraw/zinc/59/57/65/538595765.db2.gz JPIGJDKKIINNRS-GFCCVEGCSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cccc2cc([C@@H]([NH3+])CC(C)C)oc21 ZINC000131727849 538597844 /nfs/dbraw/zinc/59/78/44/538597844.db2.gz JPIGJDKKIINNRS-LBPRGKRZSA-N 1 0 217.312 3.787 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131728474 538597153 /nfs/dbraw/zinc/59/71/53/538597153.db2.gz HPWYBSVROUZAII-NSHDSACASA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131728746 538597702 /nfs/dbraw/zinc/59/77/02/538597702.db2.gz HPWYBSVROUZAII-LLVKDONJSA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131728948 538597388 /nfs/dbraw/zinc/59/73/88/538597388.db2.gz JGXJUNJEISWRGA-NSHDSACASA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131729151 538598035 /nfs/dbraw/zinc/59/80/35/538598035.db2.gz JGXJUNJEISWRGA-LLVKDONJSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000131742694 538596390 /nfs/dbraw/zinc/59/63/90/538596390.db2.gz UICHDHVZFRSIKN-YGRLFVJLSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000131742907 538598052 /nfs/dbraw/zinc/59/80/52/538598052.db2.gz UICHDHVZFRSIKN-HZMBPMFUSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000131743110 538596211 /nfs/dbraw/zinc/59/62/11/538596211.db2.gz UICHDHVZFRSIKN-QMTHXVAHSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000131743293 538109249 /nfs/dbraw/zinc/10/92/49/538109249.db2.gz UICHDHVZFRSIKN-IINYFYTJSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000131743523 538109200 /nfs/dbraw/zinc/10/92/00/538109200.db2.gz JTINBOPDUUSRCQ-RNCFNFMXSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000131743754 538597015 /nfs/dbraw/zinc/59/70/15/538597015.db2.gz JTINBOPDUUSRCQ-ZANVPECISA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000131743978 538595504 /nfs/dbraw/zinc/59/55/04/538595504.db2.gz JTINBOPDUUSRCQ-NOZJJQNGSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cccc(C)c2o1 ZINC000131744197 538598283 /nfs/dbraw/zinc/59/82/83/538598283.db2.gz JTINBOPDUUSRCQ-TVQRCGJNSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131745207 538597713 /nfs/dbraw/zinc/59/77/13/538597713.db2.gz ISODZAXLIJOQCI-PELKAZGASA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131745422 538598152 /nfs/dbraw/zinc/59/81/52/538598152.db2.gz ISODZAXLIJOQCI-UFBFGSQYSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131745628 538598076 /nfs/dbraw/zinc/59/80/76/538598076.db2.gz ISODZAXLIJOQCI-PRHODGIISA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000131745820 538597660 /nfs/dbraw/zinc/59/76/60/538597660.db2.gz ISODZAXLIJOQCI-QPUJVOFHSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131746047 538596823 /nfs/dbraw/zinc/59/68/23/538596823.db2.gz QWSOSVBTJNWOPI-OQPBUACISA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131746249 538109223 /nfs/dbraw/zinc/10/92/23/538109223.db2.gz QWSOSVBTJNWOPI-SDBXPKJASA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131746426 538596974 /nfs/dbraw/zinc/59/69/74/538596974.db2.gz QWSOSVBTJNWOPI-AMIZOPFISA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000131746634 538596238 /nfs/dbraw/zinc/59/62/38/538596238.db2.gz QWSOSVBTJNWOPI-ISVAXAHUSA-N 1 0 221.275 3.618 10 0 BHAERO Cc1ccc2oc([C@H]([NH3+])CC3CC3)cc2c1 ZINC000131781253 538595465 /nfs/dbraw/zinc/59/54/65/538595465.db2.gz BGSYGVPNPMCZSU-GFCCVEGCSA-N 1 0 215.296 3.541 10 0 BHAERO Cc1ccc2oc([C@@H]([NH3+])CC3CC3)cc2c1 ZINC000131781472 538597804 /nfs/dbraw/zinc/59/78/04/538597804.db2.gz BGSYGVPNPMCZSU-LBPRGKRZSA-N 1 0 215.296 3.541 10 0 BHAERO Cc1cccc2cc([C@H]([NH3+])CC3CC3)oc21 ZINC000131781669 538595578 /nfs/dbraw/zinc/59/55/78/538595578.db2.gz BFZZMCZSKTZHDR-GFCCVEGCSA-N 1 0 215.296 3.541 10 0 BHAERO Cc1cccc2cc([C@@H]([NH3+])CC3CC3)oc21 ZINC000131781885 538597984 /nfs/dbraw/zinc/59/79/84/538597984.db2.gz BFZZMCZSKTZHDR-LBPRGKRZSA-N 1 0 215.296 3.541 10 0 BHAERO [NH3+][C@H](CC1CC1)c1cc2cccc(Cl)c2o1 ZINC000131782125 538596696 /nfs/dbraw/zinc/59/66/96/538596696.db2.gz NTUULAUJBJQNDR-LLVKDONJSA-N 1 0 235.714 3.886 10 0 BHAERO [NH3+][C@@H](CC1CC1)c1cc2cccc(Cl)c2o1 ZINC000131782329 538596671 /nfs/dbraw/zinc/59/66/71/538596671.db2.gz NTUULAUJBJQNDR-NSHDSACASA-N 1 0 235.714 3.886 10 0 BHAERO CCC(=[NH2+])Nc1cccc(C)c1Br ZINC000132199759 371763161 /nfs/dbraw/zinc/76/31/61/371763161.db2.gz QAPJAGPNXJNSJT-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO CC(C)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000132265837 358714680 /nfs/dbraw/zinc/71/46/80/358714680.db2.gz BNPMKRBCTHGXMD-DOMZBBRYSA-N 1 0 217.356 3.871 10 0 BHAERO CC(C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000132266081 358714853 /nfs/dbraw/zinc/71/48/53/358714853.db2.gz BNPMKRBCTHGXMD-WFASDCNBSA-N 1 0 217.356 3.871 10 0 BHAERO CC(C)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000132266303 134648386 /nfs/dbraw/zinc/64/83/86/134648386.db2.gz BNPMKRBCTHGXMD-IUODEOHRSA-N 1 0 217.356 3.871 10 0 BHAERO CC(C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000132266496 358714966 /nfs/dbraw/zinc/71/49/66/358714966.db2.gz BNPMKRBCTHGXMD-SWLSCSKDSA-N 1 0 217.356 3.871 10 0 BHAERO CC(=[NH2+])Nc1cc(Cl)c(C)cc1Cl ZINC000132296840 371788107 /nfs/dbraw/zinc/78/81/07/371788107.db2.gz CONFLGNPJSUUAH-UHFFFAOYSA-N 1 0 217.099 3.711 10 0 BHAERO C[C@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000132314470 134652536 /nfs/dbraw/zinc/65/25/36/134652536.db2.gz CMCYNNIIONMDOI-FDRIWYBQSA-N 1 0 215.340 3.623 10 0 BHAERO N#[N+]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000132374316 371800834 /nfs/dbraw/zinc/80/08/34/371800834.db2.gz HFLPZRAPFDBUCQ-UHFFFAOYSA-N 1 0 207.562 3.843 10 0 BHAERO N#[N+]c1cc(Br)ccc1Cl ZINC000132388911 371805334 /nfs/dbraw/zinc/80/53/34/371805334.db2.gz FNQJMRCGFSZIMC-UHFFFAOYSA-N 1 0 218.461 3.587 10 0 BHAERO N#[N+]c1ccc(C(F)(F)F)cc1Cl ZINC000132389591 371805715 /nfs/dbraw/zinc/80/57/15/371805715.db2.gz GNSLAAUBMCXYLK-UHFFFAOYSA-N 1 0 207.562 3.843 10 0 BHAERO N#[N+]c1cc(Cl)ccc1Br ZINC000132395073 384228688 /nfs/dbraw/zinc/22/86/88/384228688.db2.gz AFVVRAJZUKVDSF-UHFFFAOYSA-N 1 0 218.461 3.587 10 0 BHAERO N#[N+]c1ccc(Cl)cc1Br ZINC000132395271 371809377 /nfs/dbraw/zinc/80/93/77/371809377.db2.gz AZQWMGCYSCBEMH-UHFFFAOYSA-N 1 0 218.461 3.587 10 0 BHAERO CCC[NH2+][C@H]1C[C@H](c2cccc(F)c2)[C@@H]1CC ZINC000132399350 169292842 /nfs/dbraw/zinc/29/28/42/169292842.db2.gz GWBZGWYIHKJPKM-ZNMIVQPWSA-N 1 0 235.346 3.707 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H](c2cccc(F)c2)[C@@H]1CC ZINC000132399754 169292517 /nfs/dbraw/zinc/29/25/17/169292517.db2.gz GWBZGWYIHKJPKM-KKUMJFAQSA-N 1 0 235.346 3.707 10 0 BHAERO C[C@H]([NH2+]Cc1ccnc2ccccc12)C1CCC1 ZINC000132426694 491135991 /nfs/dbraw/zinc/13/59/91/491135991.db2.gz KAHFREVZLGLUGL-LBPRGKRZSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@@H]([NH2+]Cc1ccnc2ccccc12)C1CCC1 ZINC000132426904 491135974 /nfs/dbraw/zinc/13/59/74/491135974.db2.gz KAHFREVZLGLUGL-GFCCVEGCSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@H]([NH2+]CC1CCC(C)CC1)C1CCC1 ZINC000132659252 491137702 /nfs/dbraw/zinc/13/77/02/491137702.db2.gz RWTJJHNQJXBPFP-CPCZMJQVSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@@H]([NH2+]CC1CCC(C)CC1)C1CCC1 ZINC000132659481 491137732 /nfs/dbraw/zinc/13/77/32/491137732.db2.gz RWTJJHNQJXBPFP-OTTFEQOBSA-N 1 0 209.377 3.591 10 0 BHAERO COC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000132737476 191035411 /nfs/dbraw/zinc/03/54/11/191035411.db2.gz KSOOVGRQPNYRBS-OLZOCXBDSA-N 1 0 241.419 3.606 10 0 BHAERO COC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000132737694 191035568 /nfs/dbraw/zinc/03/55/68/191035568.db2.gz KSOOVGRQPNYRBS-STQMWFEESA-N 1 0 241.419 3.606 10 0 BHAERO COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000132737899 191035334 /nfs/dbraw/zinc/03/53/34/191035334.db2.gz KSOOVGRQPNYRBS-CHWSQXEVSA-N 1 0 241.419 3.606 10 0 BHAERO COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000132738131 191035560 /nfs/dbraw/zinc/03/55/60/191035560.db2.gz KSOOVGRQPNYRBS-QWHCGFSZSA-N 1 0 241.419 3.606 10 0 BHAERO [NH3+]Cc1c(Cl)scc1C1CCCCC1 ZINC000132792833 371923795 /nfs/dbraw/zinc/92/37/95/371923795.db2.gz LTNOLCCHDBGLBX-UHFFFAOYSA-N 1 0 229.776 3.908 10 0 BHAERO C[C@@H]1CCc2sc(Cl)c(C[NH3+])c2[C@@H]1C ZINC000132797457 371923808 /nfs/dbraw/zinc/92/38/08/371923808.db2.gz ZLSLRTZHTLVNKX-RNFRBKRXSA-N 1 0 229.776 3.546 10 0 BHAERO C[C@H]1c2c(C[NH3+])c(Cl)sc2CC[C@@H]1C ZINC000132797695 371923682 /nfs/dbraw/zinc/92/36/82/371923682.db2.gz ZLSLRTZHTLVNKX-NKWVEPMBSA-N 1 0 229.776 3.546 10 0 BHAERO C[C@@H]1CCc2sc(Cl)c(C[NH3+])c2[C@H]1C ZINC000132797905 371923730 /nfs/dbraw/zinc/92/37/30/371923730.db2.gz ZLSLRTZHTLVNKX-RQJHMYQMSA-N 1 0 229.776 3.546 10 0 BHAERO C[C@H]1CCc2sc(Cl)c(C[NH3+])c2[C@H]1C ZINC000132798078 353390196 /nfs/dbraw/zinc/39/01/96/353390196.db2.gz ZLSLRTZHTLVNKX-BQBZGAKWSA-N 1 0 229.776 3.546 10 0 BHAERO [NH3+]Cc1c(Cl)scc1C1CCCC1 ZINC000132809108 371927686 /nfs/dbraw/zinc/92/76/86/371927686.db2.gz POGMKWXIYZLOOM-UHFFFAOYSA-N 1 0 215.749 3.518 10 0 BHAERO C[NH2+]Cc1cscc1C1CCCCC1 ZINC000132838856 371933029 /nfs/dbraw/zinc/93/30/29/371933029.db2.gz XIWTWUYGAFWTSM-UHFFFAOYSA-N 1 0 209.358 3.515 10 0 BHAERO C[NH2+]Cc1csc(C2CCCCC2)c1 ZINC000132844475 538600606 /nfs/dbraw/zinc/60/06/06/538600606.db2.gz GRXQFNXSRNSRFL-UHFFFAOYSA-N 1 0 209.358 3.515 10 0 BHAERO CC[NH2+]Cc1csc(C2CCCCC2)c1 ZINC000132866090 538599020 /nfs/dbraw/zinc/59/90/20/538599020.db2.gz UZOLGQWJOHMLIA-UHFFFAOYSA-N 1 0 223.385 3.905 10 0 BHAERO CC(C)=C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133108252 345361174 /nfs/dbraw/zinc/36/11/74/345361174.db2.gz OGCOXBCPBMCJDQ-NSHDSACASA-N 1 0 230.138 3.959 10 0 BHAERO CC(C)=C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133108453 345361050 /nfs/dbraw/zinc/36/10/50/345361050.db2.gz OGCOXBCPBMCJDQ-LLVKDONJSA-N 1 0 230.138 3.959 10 0 BHAERO CSCCCC[NH2+]CC1CCC(C)CC1 ZINC000133135797 191037883 /nfs/dbraw/zinc/03/78/83/191037883.db2.gz OOFIPERBFRCVIG-UHFFFAOYSA-N 1 0 229.433 3.546 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)C)s1 ZINC000133167696 384231626 /nfs/dbraw/zinc/23/16/26/384231626.db2.gz GEGYOEZCYJUGTC-PWSUYJOCSA-N 1 0 238.400 3.545 10 0 BHAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCF)o1 ZINC000133528056 136750089 /nfs/dbraw/zinc/75/00/89/136750089.db2.gz RSDJYCYIIWKSAE-ZDUSSCGKSA-N 1 0 239.334 3.729 10 0 BHAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCF)o1 ZINC000133528264 358758202 /nfs/dbraw/zinc/75/82/02/358758202.db2.gz RSDJYCYIIWKSAE-CYBMUJFWSA-N 1 0 239.334 3.729 10 0 BHAERO CSC[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000133947810 325333105 /nfs/dbraw/zinc/33/31/05/325333105.db2.gz IFJQXWOEHFAOEL-WOPDTQHZSA-N 1 0 229.433 3.542 10 0 BHAERO CSC[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000133948006 325333093 /nfs/dbraw/zinc/33/30/93/325333093.db2.gz IFJQXWOEHFAOEL-SRVKXCTJSA-N 1 0 229.433 3.542 10 0 BHAERO CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000133948201 325332995 /nfs/dbraw/zinc/33/29/95/325332995.db2.gz IFJQXWOEHFAOEL-GRYCIOLGSA-N 1 0 229.433 3.542 10 0 BHAERO CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000133948396 325333123 /nfs/dbraw/zinc/33/31/23/325333123.db2.gz IFJQXWOEHFAOEL-SDDRHHMPSA-N 1 0 229.433 3.542 10 0 BHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 ZINC000133970960 412019420 /nfs/dbraw/zinc/01/94/20/412019420.db2.gz UCMJQNICKSSUAP-NEPJUHHUSA-N 1 0 249.320 3.887 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223594 325349487 /nfs/dbraw/zinc/34/94/87/325349487.db2.gz QIUYWWWYBKASKA-KCJUWKMLSA-N 1 0 235.714 3.584 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223612 325349278 /nfs/dbraw/zinc/34/92/78/325349278.db2.gz QIUYWWWYBKASKA-KWQFWETISA-N 1 0 235.714 3.584 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223632 325349354 /nfs/dbraw/zinc/34/93/54/325349354.db2.gz QIUYWWWYBKASKA-LDYMZIIASA-N 1 0 235.714 3.584 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223652 325349344 /nfs/dbraw/zinc/34/93/44/325349344.db2.gz QIUYWWWYBKASKA-GZMMTYOYSA-N 1 0 235.714 3.584 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)C(C)C)ccc1Cl ZINC000134651793 591945449 /nfs/dbraw/zinc/94/54/49/591945449.db2.gz GZQWNAFRGCSQHB-NSHDSACASA-N 1 0 225.763 3.783 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)C(C)C)ccc1Cl ZINC000134651819 591945455 /nfs/dbraw/zinc/94/54/55/591945455.db2.gz GZQWNAFRGCSQHB-LLVKDONJSA-N 1 0 225.763 3.783 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)C2CC2)ccc1Cl ZINC000134651933 591944948 /nfs/dbraw/zinc/94/49/48/591944948.db2.gz GDQJBTBQXTXKRR-JTQLQIEISA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)C2CC2)ccc1Cl ZINC000134651955 591945337 /nfs/dbraw/zinc/94/53/37/591945337.db2.gz GDQJBTBQXTXKRR-SNVBAGLBSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+]CC2CCC2)ccc1Cl ZINC000134652494 591944673 /nfs/dbraw/zinc/94/46/73/591944673.db2.gz CNEUSIHSTSHMEZ-UHFFFAOYSA-N 1 0 223.747 3.538 10 0 BHAERO C/C=C/CC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134653789 591945205 /nfs/dbraw/zinc/94/52/05/591945205.db2.gz JPAYIUNHDYJIKA-ONEGZZNKSA-N 1 0 223.747 3.704 10 0 BHAERO Cc1cc(C[NH2+]CCC2CC2)ccc1Cl ZINC000134654913 591944688 /nfs/dbraw/zinc/94/46/88/591944688.db2.gz WKIYBOTVOSFFOO-UHFFFAOYSA-N 1 0 223.747 3.538 10 0 BHAERO Cc1cc(C[NH2+]C2CC(C)C2)ccc1Cl ZINC000134655184 591945017 /nfs/dbraw/zinc/94/50/17/591945017.db2.gz RMTIMDFHDVUTPG-UHFFFAOYSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+]C2(C)CCC2)ccc1Cl ZINC000134656532 591945038 /nfs/dbraw/zinc/94/50/38/591945038.db2.gz OQAKFOODMAZLRN-UHFFFAOYSA-N 1 0 223.747 3.681 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000134856222 388480423 /nfs/dbraw/zinc/48/04/23/388480423.db2.gz ORSUMEULMPWUSX-MNOVXSKESA-N 1 0 238.400 3.545 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000134856243 388480186 /nfs/dbraw/zinc/48/01/86/388480186.db2.gz ORSUMEULMPWUSX-QWRGUYRKSA-N 1 0 238.400 3.545 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000134856262 387521005 /nfs/dbraw/zinc/52/10/05/387521005.db2.gz ORSUMEULMPWUSX-GHMZBOCLSA-N 1 0 238.400 3.545 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000134856283 388480438 /nfs/dbraw/zinc/48/04/38/388480438.db2.gz ORSUMEULMPWUSX-WDEREUQCSA-N 1 0 238.400 3.545 10 0 BHAERO CCC(=[NH2+])Nc1cc(C)ccc1Br ZINC000134875999 345424479 /nfs/dbraw/zinc/42/44/79/345424479.db2.gz HSDMWJIQTXCSBE-UHFFFAOYSA-N 1 0 241.132 3.557 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134917899 358810923 /nfs/dbraw/zinc/81/09/23/358810923.db2.gz OFWSJXFBISYFQV-FZQKWOKYSA-N 1 0 235.758 3.715 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134917939 134725612 /nfs/dbraw/zinc/72/56/12/134725612.db2.gz OFWSJXFBISYFQV-OWYVNGRQSA-N 1 0 235.758 3.715 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1F ZINC000135042605 358818146 /nfs/dbraw/zinc/81/81/46/358818146.db2.gz CZZHEYPXCUSKIJ-KPXOXKRLSA-N 1 0 241.737 3.928 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1F ZINC000135042647 358817550 /nfs/dbraw/zinc/81/75/50/358817550.db2.gz CZZHEYPXCUSKIJ-UWJYBYFXSA-N 1 0 241.737 3.928 10 0 BHAERO Cc1ccoc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000135130904 325396471 /nfs/dbraw/zinc/39/64/71/325396471.db2.gz VYGPAOCNBAGELQ-UHFFFAOYSA-N 1 0 245.366 3.502 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000135170686 325398445 /nfs/dbraw/zinc/39/84/45/325398445.db2.gz ZFPHWJDWYLHCOU-OCCSQVGLSA-N 1 0 247.382 3.697 10 0 BHAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000135170701 325398532 /nfs/dbraw/zinc/39/85/32/325398532.db2.gz ZFPHWJDWYLHCOU-JSGCOSHPSA-N 1 0 247.382 3.697 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000135170721 325398621 /nfs/dbraw/zinc/39/86/21/325398621.db2.gz ZFPHWJDWYLHCOU-TZMCWYRMSA-N 1 0 247.382 3.697 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000135170740 325398545 /nfs/dbraw/zinc/39/85/45/325398545.db2.gz ZFPHWJDWYLHCOU-GXTWGEPZSA-N 1 0 247.382 3.697 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000135294102 325405393 /nfs/dbraw/zinc/40/53/93/325405393.db2.gz BDWQVKLFTLFXRU-WOSRLPQWSA-N 1 0 247.382 3.638 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000135294125 388489605 /nfs/dbraw/zinc/48/96/05/388489605.db2.gz BDWQVKLFTLFXRU-HEHGZKQESA-N 1 0 247.382 3.638 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000135294142 325405361 /nfs/dbraw/zinc/40/53/61/325405361.db2.gz BDWQVKLFTLFXRU-ZENOOKHLSA-N 1 0 247.382 3.638 10 0 BHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000135294160 325405820 /nfs/dbraw/zinc/40/58/20/325405820.db2.gz BDWQVKLFTLFXRU-XEZPLFJOSA-N 1 0 247.382 3.638 10 0 BHAERO CC[C@H]([NH2+]Cc1cncc2ccccc21)C(C)C ZINC000135760782 592045911 /nfs/dbraw/zinc/04/59/11/592045911.db2.gz OGRFSPTYXXEUQF-INIZCTEOSA-N 1 0 242.366 3.759 10 0 BHAERO CC[C@@H]([NH2+]Cc1cncc2ccccc21)C(C)C ZINC000135760815 592046002 /nfs/dbraw/zinc/04/60/02/592046002.db2.gz OGRFSPTYXXEUQF-MRXNPFEDSA-N 1 0 242.366 3.759 10 0 BHAERO c1ccc(C[NH2+]C2=Cc3ccccc3CC2)cc1 ZINC000136166565 345808794 /nfs/dbraw/zinc/80/87/94/345808794.db2.gz UNCMUGZIUHWBDV-UHFFFAOYSA-N 1 0 235.330 3.764 10 0 BHAERO C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000136213132 345961175 /nfs/dbraw/zinc/96/11/75/345961175.db2.gz BJIMJGRTYZPILA-BZPMIXESSA-N 1 0 223.404 3.837 10 0 BHAERO C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000136213207 345961172 /nfs/dbraw/zinc/96/11/72/345961172.db2.gz BJIMJGRTYZPILA-YRGRVCCFSA-N 1 0 223.404 3.837 10 0 BHAERO CC1(C)[C@H]([NH2+]Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000136388065 346206698 /nfs/dbraw/zinc/20/66/98/346206698.db2.gz HEOQSARKPWERMY-YQQAZPJKSA-N 1 0 243.394 3.991 10 0 BHAERO C[C@@H]1CC(c2cc(N)cc[nH+]2)=Cc2ccccc21 ZINC000136435791 345814014 /nfs/dbraw/zinc/81/40/14/345814014.db2.gz SNKWOEPQIIAWDS-LLVKDONJSA-N 1 0 236.318 3.712 10 0 BHAERO C[C@H]1CC(c2cc(N)cc[nH+]2)=Cc2ccccc21 ZINC000136435831 345814046 /nfs/dbraw/zinc/81/40/46/345814046.db2.gz SNKWOEPQIIAWDS-NSHDSACASA-N 1 0 236.318 3.712 10 0 BHAERO CCCCCNc1cc[nH+]c2ccc(OC)cc12 ZINC000136515706 345814783 /nfs/dbraw/zinc/81/47/83/345814783.db2.gz OPIRPWMRGUGMJA-UHFFFAOYSA-N 1 0 244.338 3.846 10 0 BHAERO C[NH+]1C(C)(C)CC(c2ccc(O)cc2)CC1(C)C ZINC000138393179 342828640 /nfs/dbraw/zinc/82/86/40/342828640.db2.gz WBFAGUUUKLKORE-UHFFFAOYSA-N 1 0 247.382 3.759 10 0 BHAERO CCCC[C@@H]1CCc2cc(OC)ccc2N1 ZINC000138449260 342866334 /nfs/dbraw/zinc/86/63/34/342866334.db2.gz WQTAMCZUWZDXDA-GFCCVEGCSA-N 1 0 219.328 3.612 10 0 BHAERO CCCC[C@H]1CCc2cc(OC)ccc2N1 ZINC000138449371 342866217 /nfs/dbraw/zinc/86/62/17/342866217.db2.gz WQTAMCZUWZDXDA-LBPRGKRZSA-N 1 0 219.328 3.612 10 0 BHAERO C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000139826676 346222103 /nfs/dbraw/zinc/22/21/03/346222103.db2.gz KEDHIFLMXMGKKE-UHFFFAOYSA-N 1 0 230.138 3.592 10 0 BHAERO c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1 ZINC000139966363 183406298 /nfs/dbraw/zinc/40/62/98/183406298.db2.gz LDPJOIMHSJSCFU-ZHCJQAHYSA-N 1 0 241.378 3.601 10 0 BHAERO CCN(CC)C1=[NH+]C=C(c2ccccc2)C=CC1 ZINC000140455108 345854826 /nfs/dbraw/zinc/85/48/26/345854826.db2.gz IQPSRWPYTFZOCI-UHFFFAOYSA-N 1 0 240.350 3.728 10 0 BHAERO Nc1cc(-c2ccccc2)[nH+]c(-c2ccccc2)c1 ZINC000140861971 343084026 /nfs/dbraw/zinc/08/40/26/343084026.db2.gz FFRCXRLJGIMFQK-UHFFFAOYSA-N 1 0 246.313 3.998 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccnc2ccccc21 ZINC000140940240 372838692 /nfs/dbraw/zinc/83/86/92/372838692.db2.gz KXDFSFBDRBESBC-AWEZNQCLSA-N 1 0 228.339 3.815 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000140940443 343636836 /nfs/dbraw/zinc/63/68/36/343636836.db2.gz KXDFSFBDRBESBC-CQSZACIVSA-N 1 0 228.339 3.815 10 0 BHAERO Cc1ccc(C2CC(C[NH+]3CCCC3)C2)cc1 ZINC000141159674 345859495 /nfs/dbraw/zinc/85/94/95/345859495.db2.gz RPGARPVEYXMSLR-UHFFFAOYSA-N 1 0 229.367 3.584 10 0 BHAERO C[NH+](C)CC1CCC2(CCCCC2)CC1 ZINC000141269496 343090805 /nfs/dbraw/zinc/09/08/05/343090805.db2.gz ZGKIUBRMUMGHDX-UHFFFAOYSA-N 1 0 209.377 3.689 10 0 BHAERO CC(C)(C)Cc1ccc2c(c1)[C@@H]([NH3+])CCC2 ZINC000141399115 359596323 /nfs/dbraw/zinc/59/63/23/359596323.db2.gz MXPWUMGRPOLLDD-AWEZNQCLSA-N 1 0 217.356 3.611 10 0 BHAERO CC(C)(C)Cc1ccc2c(c1)[C@H]([NH3+])CCC2 ZINC000141399299 345859911 /nfs/dbraw/zinc/85/99/11/345859911.db2.gz MXPWUMGRPOLLDD-CQSZACIVSA-N 1 0 217.356 3.611 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000141443287 372954050 /nfs/dbraw/zinc/95/40/50/372954050.db2.gz LOWNWWMKORAMJH-AWEZNQCLSA-N 1 0 235.346 3.804 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000141443469 372953300 /nfs/dbraw/zinc/95/33/00/372953300.db2.gz LOWNWWMKORAMJH-CQSZACIVSA-N 1 0 235.346 3.804 10 0 BHAERO c1ccc2c(c1)CC[NH+]=C2C1CCCCC1 ZINC000141855108 356466426 /nfs/dbraw/zinc/46/64/26/356466426.db2.gz WZCWRMABWXPISQ-UHFFFAOYSA-N 1 0 213.324 3.612 10 0 BHAERO CC(C)[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC000142686895 343111931 /nfs/dbraw/zinc/11/19/31/343111931.db2.gz GANXNKHZDHCLHM-NSHDSACASA-N 1 0 223.747 3.538 10 0 BHAERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC000142687127 373832463 /nfs/dbraw/zinc/83/24/63/373832463.db2.gz GANXNKHZDHCLHM-LLVKDONJSA-N 1 0 223.747 3.538 10 0 BHAERO CC(C)(C)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000143209149 374143809 /nfs/dbraw/zinc/14/38/09/374143809.db2.gz DYBWFJHGCSLYGM-UHFFFAOYSA-N 1 0 235.346 3.804 10 0 BHAERO C[N@H+]1C(C)(C)C=C(c2ccc(O)cc2)CC1(C)C ZINC000143383399 343124013 /nfs/dbraw/zinc/12/40/13/343124013.db2.gz DADMICSIHINLHB-UHFFFAOYSA-N 1 0 245.366 3.668 10 0 BHAERO C[C@@H]([NH3+])c1cnc2ccccc2c1-c1ccccc1 ZINC000143820490 368349285 /nfs/dbraw/zinc/34/92/85/368349285.db2.gz IGLYCGPFJWJNNN-GFCCVEGCSA-N 1 0 248.329 3.922 10 0 BHAERO C[C@H]([NH3+])c1cnc2ccccc2c1-c1ccccc1 ZINC000143820711 368349704 /nfs/dbraw/zinc/34/97/04/368349704.db2.gz IGLYCGPFJWJNNN-LBPRGKRZSA-N 1 0 248.329 3.922 10 0 BHAERO CC1(C)c2ccc(CC[NH3+])cc2C(C)(C)C1(C)C ZINC000143870666 345913683 /nfs/dbraw/zinc/91/36/83/345913683.db2.gz JFMGLDOIFOVAQI-UHFFFAOYSA-N 1 0 245.410 3.783 10 0 BHAERO Cc1cc(C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000144618359 342748111 /nfs/dbraw/zinc/74/81/11/342748111.db2.gz DIHSCSBXGPEHGU-UHFFFAOYSA-N 1 0 247.382 3.725 10 0 BHAERO Cc1cccc(C)c1/C=C/[C@H]1CC[NH2+]C[C@@H]1C ZINC000144678662 179029439 /nfs/dbraw/zinc/02/94/39/179029439.db2.gz KDTGQMCFZQENRG-JSMHICHCSA-N 1 0 229.367 3.562 10 0 BHAERO CC(C)[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000144739968 343137705 /nfs/dbraw/zinc/13/77/05/343137705.db2.gz CGYNDIDEPOLBET-INIZCTEOSA-N 1 0 231.383 3.945 10 0 BHAERO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000144758770 343138061 /nfs/dbraw/zinc/13/80/61/343138061.db2.gz VTRVYSMNWLMPOO-AWEZNQCLSA-N 1 0 237.346 3.806 10 0 BHAERO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000144758968 384624591 /nfs/dbraw/zinc/62/45/91/384624591.db2.gz VTRVYSMNWLMPOO-CQSZACIVSA-N 1 0 237.346 3.806 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000144781694 177136838 /nfs/dbraw/zinc/13/68/38/177136838.db2.gz FBBSSGDEXCODGU-KPWCQOOUSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000144781885 176124121 /nfs/dbraw/zinc/12/41/21/176124121.db2.gz FBBSSGDEXCODGU-AAVRWANBSA-N 1 0 209.377 3.733 10 0 BHAERO CCC[C@H]([NH3+])c1cc2ccccc2s1 ZINC000145304841 345130753 /nfs/dbraw/zinc/13/07/53/345130753.db2.gz CRYWIYBQRKEOLD-JTQLQIEISA-N 1 0 205.326 3.701 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2ccccc2s1 ZINC000145305028 345130725 /nfs/dbraw/zinc/13/07/25/345130725.db2.gz CRYWIYBQRKEOLD-SNVBAGLBSA-N 1 0 205.326 3.701 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000145806569 344522593 /nfs/dbraw/zinc/52/25/93/344522593.db2.gz LLZSZAHOVXBWRD-OAHLLOKOSA-N 1 0 247.382 3.504 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000145806752 344522606 /nfs/dbraw/zinc/52/26/06/344522606.db2.gz LLZSZAHOVXBWRD-HNNXBMFYSA-N 1 0 247.382 3.504 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccccc1Cl ZINC000145807157 344521493 /nfs/dbraw/zinc/52/14/93/344521493.db2.gz ASZHWNWZHCENBG-CYBMUJFWSA-N 1 0 223.747 3.887 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccccc1Cl ZINC000145807389 344521943 /nfs/dbraw/zinc/52/19/43/344521943.db2.gz ASZHWNWZHCENBG-ZDUSSCGKSA-N 1 0 223.747 3.887 10 0 BHAERO CC(C)[NH+](Cc1cc(N)ccc1Cl)C(C)C ZINC000146173604 345253957 /nfs/dbraw/zinc/25/39/57/345253957.db2.gz IVRDOOUBVAGNMQ-UHFFFAOYSA-N 1 0 240.778 3.541 10 0 BHAERO CCCCC[C@@H]1[NH2+]CCc2sccc21 ZINC000146322704 631415817 /nfs/dbraw/zinc/41/58/17/631415817.db2.gz PTXDFWIQFBRSHE-NSHDSACASA-N 1 0 209.358 3.515 10 0 BHAERO CCCCC[C@H]1[NH2+]CCc2sccc21 ZINC000146322892 631415926 /nfs/dbraw/zinc/41/59/26/631415926.db2.gz PTXDFWIQFBRSHE-LLVKDONJSA-N 1 0 209.358 3.515 10 0 BHAERO CCC[NH+](CCC)[C@@H]1CCC2=C(CC(=O)CC2)C1 ZINC000147004620 342773337 /nfs/dbraw/zinc/77/33/37/342773337.db2.gz JTAMEGSWFWNRKL-OAHLLOKOSA-N 1 0 249.398 3.711 10 0 BHAERO CCC[NH+](CCC)[C@H]1CCC2=C(CC(=O)CC2)C1 ZINC000147004825 342773383 /nfs/dbraw/zinc/77/33/83/342773383.db2.gz JTAMEGSWFWNRKL-HNNXBMFYSA-N 1 0 249.398 3.711 10 0 BHAERO c1ccc([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000147392333 342775484 /nfs/dbraw/zinc/77/54/84/342775484.db2.gz COFFWHUPDJKIJX-SJORKVTESA-N 1 0 237.346 3.895 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCCC1 ZINC000147446849 191796633 /nfs/dbraw/zinc/79/66/33/191796633.db2.gz BZMIZPGAKORSPM-MEDUHNTESA-N 1 0 247.357 3.981 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCCC1 ZINC000147446984 386515859 /nfs/dbraw/zinc/51/58/59/386515859.db2.gz BZMIZPGAKORSPM-BDJLRTHQSA-N 1 0 247.357 3.981 10 0 BHAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCCC1 ZINC000147447117 386517444 /nfs/dbraw/zinc/51/74/44/386517444.db2.gz BZMIZPGAKORSPM-ZBEGNZNMSA-N 1 0 247.357 3.981 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCCC1 ZINC000147447231 191796353 /nfs/dbraw/zinc/79/63/53/191796353.db2.gz BZMIZPGAKORSPM-BZNIZROVSA-N 1 0 247.357 3.981 10 0 BHAERO CCOc1cccc([C@H](CC)[C@@H](C)C[NH+](C)C)c1 ZINC000147522732 343374689 /nfs/dbraw/zinc/37/46/89/343374689.db2.gz NZFFVKUXJAOCAW-XJKSGUPXSA-N 1 0 249.398 3.777 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(C)C ZINC000147637075 200705419 /nfs/dbraw/zinc/70/54/19/200705419.db2.gz BXDZUKFYOCAXRB-LSDHHAIUSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C(C)C ZINC000147637276 385348935 /nfs/dbraw/zinc/34/89/35/385348935.db2.gz BXDZUKFYOCAXRB-HUUCEWRRSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)C(C)C ZINC000147637485 200705285 /nfs/dbraw/zinc/70/52/85/200705285.db2.gz BXDZUKFYOCAXRB-GJZGRUSLSA-N 1 0 235.346 3.837 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C(C)C ZINC000147637684 385349022 /nfs/dbraw/zinc/34/90/22/385349022.db2.gz BXDZUKFYOCAXRB-CABCVRRESA-N 1 0 235.346 3.837 10 0 BHAERO Cc1c(C)c(-c2ccccc2Cl)c[nH+]c1N ZINC000147676488 342778320 /nfs/dbraw/zinc/77/83/20/342778320.db2.gz JLASPHCVRHJUPF-UHFFFAOYSA-N 1 0 232.714 3.601 10 0 BHAERO [NH3+]C1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000148111369 345258179 /nfs/dbraw/zinc/25/81/79/345258179.db2.gz MXCLFYZBBFASCR-UHFFFAOYSA-N 1 0 243.272 3.690 10 0 BHAERO Cc1ccc(C[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000148162714 342788796 /nfs/dbraw/zinc/78/87/96/342788796.db2.gz ZNDASIJAOCVBPR-RHSMWYFYSA-N 1 0 239.362 3.669 10 0 BHAERO Cc1ccc(C[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000148162919 342788854 /nfs/dbraw/zinc/78/88/54/342788854.db2.gz ZNDASIJAOCVBPR-WMLDXEAASA-N 1 0 239.362 3.669 10 0 BHAERO Cc1ccc(C[C@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000148163108 342788837 /nfs/dbraw/zinc/78/88/37/342788837.db2.gz ZNDASIJAOCVBPR-PBHICJAKSA-N 1 0 239.362 3.669 10 0 BHAERO Cc1ccc(C[C@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000148163329 342788751 /nfs/dbraw/zinc/78/87/51/342788751.db2.gz ZNDASIJAOCVBPR-YOEHRIQHSA-N 1 0 239.362 3.669 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149769157 387671022 /nfs/dbraw/zinc/67/10/22/387671022.db2.gz PNBNHGDFMNVSBK-KOLCDFICSA-N 1 0 223.385 3.544 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149769366 192902523 /nfs/dbraw/zinc/90/25/23/192902523.db2.gz PNBNHGDFMNVSBK-ONGXEEELSA-N 1 0 223.385 3.544 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149769611 192031120 /nfs/dbraw/zinc/03/11/20/192031120.db2.gz PNBNHGDFMNVSBK-MWLCHTKSSA-N 1 0 223.385 3.544 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149769833 387670974 /nfs/dbraw/zinc/67/09/74/387670974.db2.gz PNBNHGDFMNVSBK-GXSJLCMTSA-N 1 0 223.385 3.544 10 0 BHAERO CC1(C)CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC000149793013 347521390 /nfs/dbraw/zinc/52/13/90/347521390.db2.gz JSXWIJVYZXCTNS-RNKPRXRFSA-N 1 0 236.186 3.864 10 0 BHAERO CC1(C)CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC000149793194 346156981 /nfs/dbraw/zinc/15/69/81/346156981.db2.gz JSXWIJVYZXCTNS-UJICNMFASA-N 1 0 236.186 3.864 10 0 BHAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCCC1 ZINC000150127871 538110787 /nfs/dbraw/zinc/11/07/87/538110787.db2.gz HTAPWZPWGZJSGU-ZFWWWQNUSA-N 1 0 239.403 3.504 10 0 BHAERO C[C@H]([NH2+]CC[C@H]1CCCO1)C1CCCCCC1 ZINC000150128092 583901841 /nfs/dbraw/zinc/90/18/41/583901841.db2.gz HTAPWZPWGZJSGU-DZGCQCFKSA-N 1 0 239.403 3.504 10 0 BHAERO Cc1cc(Cl)ccc1[C@H]([NH3+])CC(C)C ZINC000150174604 346168560 /nfs/dbraw/zinc/16/85/60/346168560.db2.gz RDCCUWLTAZKANG-GFCCVEGCSA-N 1 0 211.736 3.694 10 0 BHAERO Cc1cc(Cl)ccc1[C@@H]([NH3+])CC(C)C ZINC000150174692 346168625 /nfs/dbraw/zinc/16/86/25/346168625.db2.gz RDCCUWLTAZKANG-LBPRGKRZSA-N 1 0 211.736 3.694 10 0 BHAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCCC1 ZINC000150228034 537841369 /nfs/dbraw/zinc/84/13/69/537841369.db2.gz HTAPWZPWGZJSGU-HIFRSBDPSA-N 1 0 239.403 3.504 10 0 BHAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCCCCC1 ZINC000150228226 537839973 /nfs/dbraw/zinc/83/99/73/537839973.db2.gz HTAPWZPWGZJSGU-UKRRQHHQSA-N 1 0 239.403 3.504 10 0 BHAERO c1ccc([C@]23Cc4ccccc4[C@@H]2[NH2+]CCC3)cc1 ZINC000150234978 342799034 /nfs/dbraw/zinc/79/90/34/342799034.db2.gz KNZJGWSYCJGDEY-ROUUACIJSA-N 1 0 249.357 3.605 10 0 BHAERO c1ccc([C@]23Cc4ccccc4[C@H]2[NH2+]CCC3)cc1 ZINC000150235149 342798995 /nfs/dbraw/zinc/79/89/95/342798995.db2.gz KNZJGWSYCJGDEY-MSOLQXFVSA-N 1 0 249.357 3.605 10 0 BHAERO c1ccc([C@@]23Cc4ccccc4[C@@H]2[NH2+]CCC3)cc1 ZINC000150235350 342798948 /nfs/dbraw/zinc/79/89/48/342798948.db2.gz KNZJGWSYCJGDEY-ZWKOTPCHSA-N 1 0 249.357 3.605 10 0 BHAERO c1ccc([C@@]23Cc4ccccc4[C@H]2[NH2+]CCC3)cc1 ZINC000150235549 342798836 /nfs/dbraw/zinc/79/88/36/342798836.db2.gz KNZJGWSYCJGDEY-QZTJIDSGSA-N 1 0 249.357 3.605 10 0 BHAERO COCCC1(C[NH2+]C2CCCCC2)CCCC1 ZINC000151820475 632784446 /nfs/dbraw/zinc/78/44/46/632784446.db2.gz KKHYJVMAXFVMEZ-UHFFFAOYSA-N 1 0 239.403 3.506 10 0 BHAERO C[C@@H](CC(F)(F)F)[NH2+]CC1CCC(C)CC1 ZINC000152127651 201190507 /nfs/dbraw/zinc/19/05/07/201190507.db2.gz MUWRWFQXYBKAAZ-YVNMAJEFSA-N 1 0 237.309 3.743 10 0 BHAERO C[C@H](CC(F)(F)F)[NH2+]CC1CCC(C)CC1 ZINC000152127732 201190566 /nfs/dbraw/zinc/19/05/66/201190566.db2.gz MUWRWFQXYBKAAZ-HSOILSAZSA-N 1 0 237.309 3.743 10 0 BHAERO CCC[NH+](CCC)Cc1ccc2ccccc2n1 ZINC000153049497 325889863 /nfs/dbraw/zinc/88/98/63/325889863.db2.gz VIEKDZIHGDHMPB-UHFFFAOYSA-N 1 0 242.366 3.857 10 0 BHAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000155798916 385413660 /nfs/dbraw/zinc/41/36/60/385413660.db2.gz CPNQSYSTJWZQMR-HIFRSBDPSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000155799039 385413229 /nfs/dbraw/zinc/41/32/29/385413229.db2.gz CPNQSYSTJWZQMR-ZFWWWQNUSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000155799160 384014704 /nfs/dbraw/zinc/01/47/04/384014704.db2.gz CPNQSYSTJWZQMR-UKRRQHHQSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000155799280 384014735 /nfs/dbraw/zinc/01/47/35/384014735.db2.gz CPNQSYSTJWZQMR-DZGCQCFKSA-N 1 0 231.383 3.991 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2c(s1)CCCC2 ZINC000156243106 387946240 /nfs/dbraw/zinc/94/62/40/387946240.db2.gz PBDMFGKMATXHQN-SCVCMEIPSA-N 1 0 235.396 3.686 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000156243240 387945980 /nfs/dbraw/zinc/94/59/80/387945980.db2.gz PBDMFGKMATXHQN-NHCYSSNCSA-N 1 0 235.396 3.686 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2c(s1)CCCC2 ZINC000156243352 387945369 /nfs/dbraw/zinc/94/53/69/387945369.db2.gz PBDMFGKMATXHQN-JFGNBEQYSA-N 1 0 235.396 3.686 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000156243468 387945285 /nfs/dbraw/zinc/94/52/85/387945285.db2.gz PBDMFGKMATXHQN-JBLDHEPKSA-N 1 0 235.396 3.686 10 0 BHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CC2CC2)o1 ZINC000156508580 345170908 /nfs/dbraw/zinc/17/09/08/345170908.db2.gz YTHQHFNNTJEWEH-ZDUSSCGKSA-N 1 0 219.328 3.525 10 0 BHAERO Cc1ccc([C@H]2CCCC[N@@H+]2CC2CC2)o1 ZINC000156508698 345171257 /nfs/dbraw/zinc/17/12/57/345171257.db2.gz YTHQHFNNTJEWEH-CYBMUJFWSA-N 1 0 219.328 3.525 10 0 BHAERO CSCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156747954 352466240 /nfs/dbraw/zinc/46/62/40/352466240.db2.gz ZGPRORCUMHFFQZ-AWEZNQCLSA-N 1 0 249.423 3.653 10 0 BHAERO CSCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156748098 191645855 /nfs/dbraw/zinc/64/58/55/191645855.db2.gz ZGPRORCUMHFFQZ-CQSZACIVSA-N 1 0 249.423 3.653 10 0 BHAERO CCSCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000157022487 201526691 /nfs/dbraw/zinc/52/66/91/201526691.db2.gz BCOFNQZNUVARBE-XQQFMLRXSA-N 1 0 229.433 3.686 10 0 BHAERO CCSCC[C@H](C)[NH2+][C@H]1CC[C@H](CC)C1 ZINC000157022642 200797259 /nfs/dbraw/zinc/79/72/59/200797259.db2.gz BCOFNQZNUVARBE-AVGNSLFASA-N 1 0 229.433 3.686 10 0 BHAERO CCC(C)(C)[C@H]([NH3+])c1cc2ccccc2o1 ZINC000157110174 538808554 /nfs/dbraw/zinc/80/85/54/538808554.db2.gz INFWSOFTILCQBX-CYBMUJFWSA-N 1 0 217.312 3.869 10 0 BHAERO CCC(C)(C)[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000157110334 538809784 /nfs/dbraw/zinc/80/97/84/538809784.db2.gz INFWSOFTILCQBX-ZDUSSCGKSA-N 1 0 217.312 3.869 10 0 BHAERO Cc1cccc(NC[C@@H](C)c2cccs2)[nH+]1 ZINC000157640792 387860675 /nfs/dbraw/zinc/86/06/75/387860675.db2.gz DYDBGDKRQRYCAI-SNVBAGLBSA-N 1 0 232.352 3.667 10 0 BHAERO Cc1cccc(NC[C@@H](C)c2ccsc2)[nH+]1 ZINC000157809463 387875706 /nfs/dbraw/zinc/87/57/06/387875706.db2.gz JEVAQNHOLPMOGC-SNVBAGLBSA-N 1 0 232.352 3.667 10 0 BHAERO Cc1cccc(NC[C@H](C)c2ccsc2)[nH+]1 ZINC000157809605 387875896 /nfs/dbraw/zinc/87/58/96/387875896.db2.gz JEVAQNHOLPMOGC-JTQLQIEISA-N 1 0 232.352 3.667 10 0 BHAERO CC[C@@](F)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000158325093 344597369 /nfs/dbraw/zinc/59/73/69/344597369.db2.gz MNEGYZVVENISKN-SNVBAGLBSA-N 1 0 236.117 3.527 10 0 BHAERO CC[C@](F)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000158325238 344597373 /nfs/dbraw/zinc/59/73/73/344597373.db2.gz MNEGYZVVENISKN-JTQLQIEISA-N 1 0 236.117 3.527 10 0 BHAERO CC[C@@](F)(C[NH3+])c1cccc(Cl)c1Cl ZINC000158332943 344600848 /nfs/dbraw/zinc/60/08/48/344600848.db2.gz MOMVHNCEPIYKKB-SNVBAGLBSA-N 1 0 236.117 3.527 10 0 BHAERO CC[C@](F)(C[NH3+])c1cccc(Cl)c1Cl ZINC000158333078 344600558 /nfs/dbraw/zinc/60/05/58/344600558.db2.gz MOMVHNCEPIYKKB-JTQLQIEISA-N 1 0 236.117 3.527 10 0 BHAERO CC(C)(C)[C@@](F)(C[NH3+])c1ccc(Cl)s1 ZINC000158370805 344622003 /nfs/dbraw/zinc/62/20/03/344622003.db2.gz JFMTZTQYWUTGHO-SNVBAGLBSA-N 1 0 235.755 3.571 10 0 BHAERO CC(C)(C)[C@](F)(C[NH3+])c1ccc(Cl)s1 ZINC000158370941 344630158 /nfs/dbraw/zinc/63/01/58/344630158.db2.gz JFMTZTQYWUTGHO-JTQLQIEISA-N 1 0 235.755 3.571 10 0 BHAERO CC[C@]1(C)[C@@H](c2ccc(C)c(F)c2)C[C@@H]1[NH2+]C ZINC000158709876 171208776 /nfs/dbraw/zinc/20/87/76/171208776.db2.gz CEPKIDCFTVDWSA-VHDGCEQUSA-N 1 0 235.346 3.626 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](c2ccc(C)cc2)[C@@]1(C)CC ZINC000158710616 170169760 /nfs/dbraw/zinc/16/97/60/170169760.db2.gz VFWRZIONVJEEHJ-HRCADAONSA-N 1 0 231.383 3.877 10 0 BHAERO CC[NH2+][C@H]1C[C@H](c2ccc(C)cc2)[C@@]1(C)CC ZINC000158710891 170169371 /nfs/dbraw/zinc/16/93/71/170169371.db2.gz VFWRZIONVJEEHJ-OWCLPIDISA-N 1 0 231.383 3.877 10 0 BHAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000159020422 387980647 /nfs/dbraw/zinc/98/06/47/387980647.db2.gz UDTMGAHQMHXXCB-VHSXEESVSA-N 1 0 240.416 3.709 10 0 BHAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000159020595 201660222 /nfs/dbraw/zinc/66/02/22/201660222.db2.gz UDTMGAHQMHXXCB-UWVGGRQHSA-N 1 0 240.416 3.709 10 0 BHAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000159020714 201660515 /nfs/dbraw/zinc/66/05/15/201660515.db2.gz UDTMGAHQMHXXCB-NXEZZACHSA-N 1 0 240.416 3.709 10 0 BHAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000159020844 387980124 /nfs/dbraw/zinc/98/01/24/387980124.db2.gz UDTMGAHQMHXXCB-ZJUUUORDSA-N 1 0 240.416 3.709 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000159048063 641662095 /nfs/dbraw/zinc/66/20/95/641662095.db2.gz BKDWVTYQWKPHLT-WDEREUQCSA-N 1 0 217.422 3.541 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000159048196 641661760 /nfs/dbraw/zinc/66/17/60/641661760.db2.gz BKDWVTYQWKPHLT-QWRGUYRKSA-N 1 0 217.422 3.541 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000159048320 632505577 /nfs/dbraw/zinc/50/55/77/632505577.db2.gz BKDWVTYQWKPHLT-GHMZBOCLSA-N 1 0 217.422 3.541 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000159048439 641662366 /nfs/dbraw/zinc/66/23/66/641662366.db2.gz BKDWVTYQWKPHLT-MNOVXSKESA-N 1 0 217.422 3.541 10 0 BHAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000159063563 326348795 /nfs/dbraw/zinc/34/87/95/326348795.db2.gz IDUQPJGZAWNRPC-MCIONIFRSA-N 1 0 249.398 3.821 10 0 BHAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000159063704 326348788 /nfs/dbraw/zinc/34/87/88/326348788.db2.gz IDUQPJGZAWNRPC-RDBSUJKOSA-N 1 0 249.398 3.821 10 0 BHAERO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000159063846 326348815 /nfs/dbraw/zinc/34/88/15/326348815.db2.gz IDUQPJGZAWNRPC-MGPQQGTHSA-N 1 0 249.398 3.821 10 0 BHAERO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000159063986 326348907 /nfs/dbraw/zinc/34/89/07/326348907.db2.gz IDUQPJGZAWNRPC-HZSPNIEDSA-N 1 0 249.398 3.821 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)o1 ZINC000159087425 387984649 /nfs/dbraw/zinc/98/46/49/387984649.db2.gz JFMOSYSXBOVYTD-WDEREUQCSA-N 1 0 209.333 3.537 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)o1 ZINC000159087577 387983735 /nfs/dbraw/zinc/98/37/35/387983735.db2.gz JFMOSYSXBOVYTD-QWRGUYRKSA-N 1 0 209.333 3.537 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)o1 ZINC000159087793 384349749 /nfs/dbraw/zinc/34/97/49/384349749.db2.gz JFMOSYSXBOVYTD-GHMZBOCLSA-N 1 0 209.333 3.537 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)o1 ZINC000159087922 387984111 /nfs/dbraw/zinc/98/41/11/387984111.db2.gz JFMOSYSXBOVYTD-MNOVXSKESA-N 1 0 209.333 3.537 10 0 BHAERO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000159208262 388001482 /nfs/dbraw/zinc/00/14/82/388001482.db2.gz SPGHJGMATDMMDE-QWHCGFSZSA-N 1 0 241.419 3.606 10 0 BHAERO CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000159208389 201672150 /nfs/dbraw/zinc/67/21/50/201672150.db2.gz SPGHJGMATDMMDE-STQMWFEESA-N 1 0 241.419 3.606 10 0 BHAERO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000159208566 385593425 /nfs/dbraw/zinc/59/34/25/385593425.db2.gz SPGHJGMATDMMDE-CHWSQXEVSA-N 1 0 241.419 3.606 10 0 BHAERO CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000159208696 219871619 /nfs/dbraw/zinc/87/16/19/219871619.db2.gz SPGHJGMATDMMDE-OLZOCXBDSA-N 1 0 241.419 3.606 10 0 BHAERO CS[C@H](C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000159299074 388006634 /nfs/dbraw/zinc/00/66/34/388006634.db2.gz WJJKGYFKFGQVOV-UTUOFQBUSA-N 1 0 229.433 3.542 10 0 BHAERO CS[C@H](C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000159299203 388006546 /nfs/dbraw/zinc/00/65/46/388006546.db2.gz WJJKGYFKFGQVOV-TUAOUCFPSA-N 1 0 229.433 3.542 10 0 BHAERO CS[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000159299338 388006610 /nfs/dbraw/zinc/00/66/10/388006610.db2.gz WJJKGYFKFGQVOV-IJLUTSLNSA-N 1 0 229.433 3.542 10 0 BHAERO CS[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000159299485 388006425 /nfs/dbraw/zinc/00/64/25/388006425.db2.gz WJJKGYFKFGQVOV-QJPTWQEYSA-N 1 0 229.433 3.542 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccccc1OC(F)F ZINC000159651806 350962448 /nfs/dbraw/zinc/96/24/48/350962448.db2.gz NXUOCSVHWCOLNB-NSHDSACASA-N 1 0 243.297 3.868 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000159651934 350962914 /nfs/dbraw/zinc/96/29/14/350962914.db2.gz NXUOCSVHWCOLNB-LLVKDONJSA-N 1 0 243.297 3.868 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000159679367 350963481 /nfs/dbraw/zinc/96/34/81/350963481.db2.gz RQAONSYAZSFXEY-LBPRGKRZSA-N 1 0 243.297 3.868 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000159679500 350963410 /nfs/dbraw/zinc/96/34/10/350963410.db2.gz RQAONSYAZSFXEY-GFCCVEGCSA-N 1 0 243.297 3.868 10 0 BHAERO CCCCC[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000159703741 350977978 /nfs/dbraw/zinc/97/79/78/350977978.db2.gz SLZBZTCQVOPBPZ-LBPRGKRZSA-N 1 0 243.297 3.868 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000159703864 350977891 /nfs/dbraw/zinc/97/78/91/350977891.db2.gz SLZBZTCQVOPBPZ-GFCCVEGCSA-N 1 0 243.297 3.868 10 0 BHAERO CCn1cccc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160144081 323061409 /nfs/dbraw/zinc/06/14/09/323061409.db2.gz KXQYNHNYQHWZLE-CQSZACIVSA-N 1 0 242.366 3.667 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)nc1 ZINC000160149168 323061196 /nfs/dbraw/zinc/06/11/96/323061196.db2.gz BJOIXEIKOXMAEJ-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)nc1 ZINC000160194030 323063010 /nfs/dbraw/zinc/06/30/10/323063010.db2.gz BJOIXEIKOXMAEJ-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CC[C@@H]1C[C@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000161005046 346472264 /nfs/dbraw/zinc/47/22/64/346472264.db2.gz UIVNSZARCPVLCP-RDDDGLTNSA-N 1 0 230.138 3.577 10 0 BHAERO CC[C@H]1C[C@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000161005148 359711582 /nfs/dbraw/zinc/71/15/82/359711582.db2.gz UIVNSZARCPVLCP-WRWORJQWSA-N 1 0 230.138 3.577 10 0 BHAERO CC[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000161005289 359710986 /nfs/dbraw/zinc/71/09/86/359710986.db2.gz UIVNSZARCPVLCP-HQJQHLMTSA-N 1 0 230.138 3.577 10 0 BHAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000161005405 359711761 /nfs/dbraw/zinc/71/17/61/359711761.db2.gz UIVNSZARCPVLCP-CPCISQLKSA-N 1 0 230.138 3.577 10 0 BHAERO C[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000161363146 384984339 /nfs/dbraw/zinc/98/43/39/384984339.db2.gz KVLRBFBMAPEYCJ-GFCCVEGCSA-N 1 0 221.388 3.878 10 0 BHAERO [NH3+][C@H](CC1CC1)c1cc2cc(Cl)ccc2o1 ZINC000161669891 538917363 /nfs/dbraw/zinc/91/73/63/538917363.db2.gz RTACMSFMFUORCM-LLVKDONJSA-N 1 0 235.714 3.886 10 0 BHAERO [NH3+][C@@H](CC1CC1)c1cc2cc(Cl)ccc2o1 ZINC000161670024 538917481 /nfs/dbraw/zinc/91/74/81/538917481.db2.gz RTACMSFMFUORCM-NSHDSACASA-N 1 0 235.714 3.886 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(Br)cc1C ZINC000161694611 346496983 /nfs/dbraw/zinc/49/69/83/346496983.db2.gz LEKINXZOCQIDSM-NSHDSACASA-N 1 0 242.160 3.557 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000161694719 371553392 /nfs/dbraw/zinc/55/33/92/371553392.db2.gz LEKINXZOCQIDSM-LLVKDONJSA-N 1 0 242.160 3.557 10 0 BHAERO C[C@@H]([NH3+])c1c(Cl)cc(Cl)cc1Cl ZINC000161766150 371561902 /nfs/dbraw/zinc/56/19/02/371561902.db2.gz AETFXHMYNBNPLH-SCSAIBSYSA-N 1 0 224.518 3.667 10 0 BHAERO C[C@H]([NH3+])c1c(Cl)cc(Cl)cc1Cl ZINC000161766268 371562319 /nfs/dbraw/zinc/56/23/19/371562319.db2.gz AETFXHMYNBNPLH-BYPYZUCNSA-N 1 0 224.518 3.667 10 0 BHAERO CC[C@H]1[C@@H]([NH3+])C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161860425 171687128 /nfs/dbraw/zinc/68/71/28/171687128.db2.gz AIOPBPAHOACWOS-UTUOFQBUSA-N 1 0 243.272 3.546 10 0 BHAERO CC[C@@]1(C)[C@@H]([NH3+])C[C@@H]1c1cc(F)c(C)cc1F ZINC000161916549 171209286 /nfs/dbraw/zinc/20/92/86/171209286.db2.gz XIJKDVIFCVYODJ-DDTOSNHZSA-N 1 0 239.309 3.504 10 0 BHAERO CC[C@H]1[C@@H]([NH2+]C)C[C@@H]1c1c(C)cc(C)cc1C ZINC000161975273 171686986 /nfs/dbraw/zinc/68/69/86/171686986.db2.gz BHLZNOPWGDYSRX-ILXRZTDVSA-N 1 0 231.383 3.713 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](c2ccc(OCC)cc2)[C@@H]1CC ZINC000161977068 170169673 /nfs/dbraw/zinc/16/96/73/170169673.db2.gz UREWJKZKRXPSFW-JYJNAYRXSA-N 1 0 247.382 3.577 10 0 BHAERO CC[NH2+][C@H]1C[C@H](c2ccc(OCC)cc2)[C@@H]1CC ZINC000161977299 170169627 /nfs/dbraw/zinc/16/96/27/170169627.db2.gz UREWJKZKRXPSFW-XHSDSOJGSA-N 1 0 247.382 3.577 10 0 BHAERO C[C@@H](C[NH2+][C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000161982353 538920228 /nfs/dbraw/zinc/92/02/28/538920228.db2.gz SUCYFRGTDWWKOI-GXTWGEPZSA-N 1 0 247.382 3.782 10 0 BHAERO C[C@H](C[NH2+][C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000161982514 538920002 /nfs/dbraw/zinc/92/00/02/538920002.db2.gz SUCYFRGTDWWKOI-TZMCWYRMSA-N 1 0 247.382 3.782 10 0 BHAERO C[C@@H](C[NH2+][C@H]1CCOc2ccccc21)C(C)(C)C ZINC000161982642 538920194 /nfs/dbraw/zinc/92/01/94/538920194.db2.gz SUCYFRGTDWWKOI-JSGCOSHPSA-N 1 0 247.382 3.782 10 0 BHAERO C[C@H](C[NH2+][C@H]1CCOc2ccccc21)C(C)(C)C ZINC000161982763 538920090 /nfs/dbraw/zinc/92/00/90/538920090.db2.gz SUCYFRGTDWWKOI-OCCSQVGLSA-N 1 0 247.382 3.782 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](c2cc(C)ccc2C)[C@@H]1CC ZINC000161997769 170169327 /nfs/dbraw/zinc/16/93/27/170169327.db2.gz RJWVFVLCZLOPOW-IMJJTQAJSA-N 1 0 231.383 3.795 10 0 BHAERO CC[NH2+][C@H]1C[C@H](c2cc(C)ccc2C)[C@@H]1CC ZINC000161998028 170169639 /nfs/dbraw/zinc/16/96/39/170169639.db2.gz RJWVFVLCZLOPOW-BPUTZDHNSA-N 1 0 231.383 3.795 10 0 BHAERO CC[NH2+][C@H]1C[C@@H](c2ccc(C)c(F)c2)[C@@H]1CC ZINC000162004805 170169562 /nfs/dbraw/zinc/16/95/62/170169562.db2.gz IQXFWRSTJJVBIS-YDHLFZDLSA-N 1 0 235.346 3.626 10 0 BHAERO CC[NH2+][C@H]1C[C@H](c2ccc(C)c(F)c2)[C@@H]1CC ZINC000162005029 170169547 /nfs/dbraw/zinc/16/95/47/170169547.db2.gz IQXFWRSTJJVBIS-GUTXKFCHSA-N 1 0 235.346 3.626 10 0 BHAERO CCC[NH2+][C@H]1C[C@H](c2ccc(OC)cc2)[C@@H]1CC ZINC000162019716 169292472 /nfs/dbraw/zinc/29/24/72/169292472.db2.gz BALNDTQIDLGVRE-XHSDSOJGSA-N 1 0 247.382 3.577 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H](c2ccc(OC)cc2)[C@@H]1CC ZINC000162019960 169292267 /nfs/dbraw/zinc/29/22/67/169292267.db2.gz BALNDTQIDLGVRE-JYJNAYRXSA-N 1 0 247.382 3.577 10 0 BHAERO CCC[NH2+][C@H]1C[C@H](c2cccc(OC)c2)[C@@H]1CC ZINC000162020207 169293101 /nfs/dbraw/zinc/29/31/01/169293101.db2.gz CCOLUCNZDUONHC-XHSDSOJGSA-N 1 0 247.382 3.577 10 0 BHAERO CCC[NH2+][C@H]1C[C@@H](c2cccc(OC)c2)[C@@H]1CC ZINC000162020485 169292560 /nfs/dbraw/zinc/29/25/60/169292560.db2.gz CCOLUCNZDUONHC-JYJNAYRXSA-N 1 0 247.382 3.577 10 0 BHAERO CC[C@@H](CSC)[NH2+]CC1CCC(C)CC1 ZINC000162180020 388121663 /nfs/dbraw/zinc/12/16/63/388121663.db2.gz YSWVLEHYEUANCA-BPCQOVAHSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@H](CSC)[NH2+]CC1CCC(C)CC1 ZINC000162180128 388121448 /nfs/dbraw/zinc/12/14/48/388121448.db2.gz YSWVLEHYEUANCA-WXRRBKDZSA-N 1 0 229.433 3.544 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000162405422 397953064 /nfs/dbraw/zinc/95/30/64/397953064.db2.gz LUBSJRQYDQDMAS-NSHDSACASA-N 1 0 241.375 3.538 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162678571 202038730 /nfs/dbraw/zinc/03/87/30/202038730.db2.gz RCLVOZDERSHZJA-SECBINFHSA-N 1 0 229.726 3.613 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162678689 202039065 /nfs/dbraw/zinc/03/90/65/202039065.db2.gz RCLVOZDERSHZJA-VIFPVBQESA-N 1 0 229.726 3.613 10 0 BHAERO CC(C)C[C@H]([NH3+])c1c(F)cccc1Cl ZINC000162748191 371837872 /nfs/dbraw/zinc/83/78/72/371837872.db2.gz IQBXSEAIQSIXQJ-JTQLQIEISA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000162748307 371838857 /nfs/dbraw/zinc/83/88/57/371838857.db2.gz IQBXSEAIQSIXQJ-SNVBAGLBSA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1csc(Br)c1 ZINC000162775222 371847604 /nfs/dbraw/zinc/84/76/04/371847604.db2.gz KAGIIHVOTSKLQS-MRVPVSSYSA-N 1 0 248.189 3.557 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1csc(Br)c1 ZINC000162775349 371847890 /nfs/dbraw/zinc/84/78/90/371847890.db2.gz KAGIIHVOTSKLQS-QMMMGPOBSA-N 1 0 248.189 3.557 10 0 BHAERO CCc1cnc([C@@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000162822728 171920230 /nfs/dbraw/zinc/92/02/30/171920230.db2.gz UOZIMYKNEFQRAJ-SNVBAGLBSA-N 1 0 247.367 3.582 10 0 BHAERO CCc1cnc([C@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000162822871 353332613 /nfs/dbraw/zinc/33/26/13/353332613.db2.gz UOZIMYKNEFQRAJ-JTQLQIEISA-N 1 0 247.367 3.582 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1cccc(F)c1Cl ZINC000162851589 371868552 /nfs/dbraw/zinc/86/85/52/371868552.db2.gz CAQPXQLBNVJSBT-SNVBAGLBSA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000162851722 371867568 /nfs/dbraw/zinc/86/75/68/371867568.db2.gz CAQPXQLBNVJSBT-JTQLQIEISA-N 1 0 215.699 3.525 10 0 BHAERO Cc1cccc([C@H]([NH3+])C(C)(C)C)c1Cl ZINC000162854288 371868545 /nfs/dbraw/zinc/86/85/45/371868545.db2.gz BECQQFATTYSJME-NSHDSACASA-N 1 0 211.736 3.694 10 0 BHAERO Cc1cccc([C@@H]([NH3+])C(C)(C)C)c1Cl ZINC000162854393 371867593 /nfs/dbraw/zinc/86/75/93/371867593.db2.gz BECQQFATTYSJME-LLVKDONJSA-N 1 0 211.736 3.694 10 0 BHAERO CC[C@H]([NH3+])c1cccc(Br)c1Cl ZINC000162857059 371868450 /nfs/dbraw/zinc/86/84/50/371868450.db2.gz WVGOMTAMQXUGRV-QMMMGPOBSA-N 1 0 248.551 3.512 10 0 BHAERO CC[C@@H]([NH3+])c1cccc(Br)c1Cl ZINC000162857191 371867928 /nfs/dbraw/zinc/86/79/28/371867928.db2.gz WVGOMTAMQXUGRV-MRVPVSSYSA-N 1 0 248.551 3.512 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000162990808 350491113 /nfs/dbraw/zinc/49/11/13/350491113.db2.gz VHJOJFVKNVDTDK-TZMCWYRMSA-N 1 0 247.382 3.923 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000162990917 350491354 /nfs/dbraw/zinc/49/13/54/350491354.db2.gz VHJOJFVKNVDTDK-GXTWGEPZSA-N 1 0 247.382 3.923 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000162991035 350490922 /nfs/dbraw/zinc/49/09/22/350490922.db2.gz VHJOJFVKNVDTDK-OCCSQVGLSA-N 1 0 247.382 3.923 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000162991135 534973345 /nfs/dbraw/zinc/97/33/45/534973345.db2.gz VHJOJFVKNVDTDK-JSGCOSHPSA-N 1 0 247.382 3.923 10 0 BHAERO CC[C@@H](C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000163020046 350495049 /nfs/dbraw/zinc/49/50/49/350495049.db2.gz LBWUKAOHAKCXFP-TZMCWYRMSA-N 1 0 247.382 3.925 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000163020168 350494938 /nfs/dbraw/zinc/49/49/38/350494938.db2.gz LBWUKAOHAKCXFP-GXTWGEPZSA-N 1 0 247.382 3.925 10 0 BHAERO CC[C@@H](C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000163020276 535525499 /nfs/dbraw/zinc/52/54/99/535525499.db2.gz LBWUKAOHAKCXFP-OCCSQVGLSA-N 1 0 247.382 3.925 10 0 BHAERO CC[C@H](C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000163020357 134973491 /nfs/dbraw/zinc/97/34/91/134973491.db2.gz LBWUKAOHAKCXFP-JSGCOSHPSA-N 1 0 247.382 3.925 10 0 BHAERO CC(C)(CCc1ccccc1)[NH2+]C1CCCC1 ZINC000163215380 326115040 /nfs/dbraw/zinc/11/50/40/326115040.db2.gz QLCNVFPKLYCVLB-UHFFFAOYSA-N 1 0 231.383 3.930 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(F)ccc1C)C(C)C ZINC000163236427 202310808 /nfs/dbraw/zinc/31/08/08/202310808.db2.gz QPOJRAURPKJZMD-AWEZNQCLSA-N 1 0 223.335 3.658 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(F)ccc1C)C(C)C ZINC000163236532 202310947 /nfs/dbraw/zinc/31/09/47/202310947.db2.gz QPOJRAURPKJZMD-CQSZACIVSA-N 1 0 223.335 3.658 10 0 BHAERO CC1CC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000163399984 388279319 /nfs/dbraw/zinc/27/93/19/388279319.db2.gz GNRXPEZQVCUNFQ-ORHYLEIMSA-N 1 0 245.366 3.677 10 0 BHAERO CC1CC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000163400062 388279179 /nfs/dbraw/zinc/27/91/79/388279179.db2.gz GNRXPEZQVCUNFQ-YIZWMMSDSA-N 1 0 245.366 3.677 10 0 BHAERO Nc1cc[nH+]c(-c2cc(Cl)cc(Cl)c2)c1 ZINC000163701458 384267208 /nfs/dbraw/zinc/26/72/08/384267208.db2.gz DKWYGILQRNFGID-UHFFFAOYSA-N 1 0 239.105 3.638 10 0 BHAERO Nc1cc[nH+]cc1-c1cc(Cl)cc(Cl)c1 ZINC000163701597 384280586 /nfs/dbraw/zinc/28/05/86/384280586.db2.gz NQNSUOVURJIAHL-UHFFFAOYSA-N 1 0 239.105 3.638 10 0 BHAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1ccncc1 ZINC000163740493 384857595 /nfs/dbraw/zinc/85/75/95/384857595.db2.gz HHLZPHLTBOBJLT-KBPBESRZSA-N 1 0 220.360 3.557 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1ccncc1 ZINC000163740601 387927751 /nfs/dbraw/zinc/92/77/51/387927751.db2.gz HHLZPHLTBOBJLT-UONOGXRCSA-N 1 0 220.360 3.557 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)C(C)C ZINC000163740742 202660632 /nfs/dbraw/zinc/66/06/32/202660632.db2.gz HHLZPHLTBOBJLT-KGLIPLIRSA-N 1 0 220.360 3.557 10 0 BHAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1ccncc1 ZINC000163740846 202660771 /nfs/dbraw/zinc/66/07/71/202660771.db2.gz HHLZPHLTBOBJLT-ZIAGYGMSSA-N 1 0 220.360 3.557 10 0 BHAERO COc1ccc([C@H]([NH2+]C2CC(C)C2)C2CC2)cc1 ZINC000163748447 202668202 /nfs/dbraw/zinc/66/82/02/202668202.db2.gz WNZLJKWDAIXQAI-HFLCMSJXSA-N 1 0 245.366 3.534 10 0 BHAERO CCSCCC[NH2+]CC1CCC(C)CC1 ZINC000163835128 135208851 /nfs/dbraw/zinc/20/88/51/135208851.db2.gz GRIOFMOVLXRKIH-UHFFFAOYSA-N 1 0 229.433 3.546 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000163843488 372067149 /nfs/dbraw/zinc/06/71/49/372067149.db2.gz JQCNKZHFJOFYLF-OCCSQVGLSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000163843552 372067406 /nfs/dbraw/zinc/06/74/06/372067406.db2.gz JQCNKZHFJOFYLF-JSGCOSHPSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000163843662 372067230 /nfs/dbraw/zinc/06/72/30/372067230.db2.gz JQCNKZHFJOFYLF-TZMCWYRMSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000163843766 372067464 /nfs/dbraw/zinc/06/74/64/372067464.db2.gz JQCNKZHFJOFYLF-GXTWGEPZSA-N 1 0 241.444 3.831 10 0 BHAERO CCc1nc(C[NH2+][C@@H](CC)C(C)(C)C)cs1 ZINC000163912000 388099292 /nfs/dbraw/zinc/09/92/92/388099292.db2.gz XKJYDXMEMSSHDX-NSHDSACASA-N 1 0 240.416 3.620 10 0 BHAERO CCc1nc(C[NH2+][C@H](CC)C(C)(C)C)cs1 ZINC000163912106 388099261 /nfs/dbraw/zinc/09/92/61/388099261.db2.gz XKJYDXMEMSSHDX-LLVKDONJSA-N 1 0 240.416 3.620 10 0 BHAERO CC[C@H]([NH2+]Cc1cccnc1Cl)C(C)(C)C ZINC000163913720 538930876 /nfs/dbraw/zinc/93/08/76/538930876.db2.gz KTJMJJXIZPYLOO-NSHDSACASA-N 1 0 240.778 3.649 10 0 BHAERO CC[C@H]([NH2+]Cc1ccccc1F)C(C)(C)C ZINC000163915527 388098926 /nfs/dbraw/zinc/09/89/26/388098926.db2.gz KFZBGJGNYBFWSB-ZDUSSCGKSA-N 1 0 223.335 3.740 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccccc1F)C(C)(C)C ZINC000163915642 388099188 /nfs/dbraw/zinc/09/91/88/388099188.db2.gz KFZBGJGNYBFWSB-CYBMUJFWSA-N 1 0 223.335 3.740 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000163916272 202790115 /nfs/dbraw/zinc/79/01/15/202790115.db2.gz MHQJUIHCNBZWMK-JTQLQIEISA-N 1 0 229.751 3.847 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000163916355 388099167 /nfs/dbraw/zinc/09/91/67/388099167.db2.gz MHQJUIHCNBZWMK-SNVBAGLBSA-N 1 0 229.751 3.847 10 0 BHAERO CC[C@H]([NH2+]Cc1cccs1)C(C)(C)C ZINC000163917117 388099031 /nfs/dbraw/zinc/09/90/31/388099031.db2.gz XZYIOZUCPDBTNN-NSHDSACASA-N 1 0 211.374 3.662 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccs1)C(C)(C)C ZINC000163917217 388098932 /nfs/dbraw/zinc/09/89/32/388098932.db2.gz XZYIOZUCPDBTNN-LLVKDONJSA-N 1 0 211.374 3.662 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(C)o1)C(C)(C)C ZINC000163917780 386560591 /nfs/dbraw/zinc/56/05/91/386560591.db2.gz VDIKHKHWUIKLAH-LBPRGKRZSA-N 1 0 209.333 3.502 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(C)o1)C(C)(C)C ZINC000163917892 202790781 /nfs/dbraw/zinc/79/07/81/202790781.db2.gz VDIKHKHWUIKLAH-GFCCVEGCSA-N 1 0 209.333 3.502 10 0 BHAERO CC[C@H]([NH2+]Cc1sccc1C)C(C)(C)C ZINC000163918275 388099369 /nfs/dbraw/zinc/09/93/69/388099369.db2.gz SDSPDMVGXDYUOR-LBPRGKRZSA-N 1 0 225.401 3.971 10 0 BHAERO CC[C@@H]([NH2+]Cc1sccc1C)C(C)(C)C ZINC000163918409 202791002 /nfs/dbraw/zinc/79/10/02/202791002.db2.gz SDSPDMVGXDYUOR-GFCCVEGCSA-N 1 0 225.401 3.971 10 0 BHAERO CC[C@H]([NH2+]Cc1ccsc1)C(C)(C)C ZINC000163918560 388098704 /nfs/dbraw/zinc/09/87/04/388098704.db2.gz WFUWPPVQSHQNHN-NSHDSACASA-N 1 0 211.374 3.662 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccsc1)C(C)(C)C ZINC000163918671 388098753 /nfs/dbraw/zinc/09/87/53/388098753.db2.gz WFUWPPVQSHQNHN-LLVKDONJSA-N 1 0 211.374 3.662 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(C)s1)C(C)(C)C ZINC000163918794 388099395 /nfs/dbraw/zinc/09/93/95/388099395.db2.gz LCUULPPZSUJDEU-LBPRGKRZSA-N 1 0 225.401 3.971 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(C)s1)C(C)(C)C ZINC000163918879 202790349 /nfs/dbraw/zinc/79/03/49/202790349.db2.gz LCUULPPZSUJDEU-GFCCVEGCSA-N 1 0 225.401 3.971 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC000163919302 388098858 /nfs/dbraw/zinc/09/88/58/388098858.db2.gz SYCQHUQIPKNIEK-ZDUSSCGKSA-N 1 0 223.335 3.740 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC000163919425 388098885 /nfs/dbraw/zinc/09/88/85/388098885.db2.gz SYCQHUQIPKNIEK-CYBMUJFWSA-N 1 0 223.335 3.740 10 0 BHAERO CC[C@H]([NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC000163919753 388098755 /nfs/dbraw/zinc/09/87/55/388098755.db2.gz DLGYLWUGLVRKHJ-ZDUSSCGKSA-N 1 0 223.335 3.740 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC000163919850 388099387 /nfs/dbraw/zinc/09/93/87/388099387.db2.gz DLGYLWUGLVRKHJ-CYBMUJFWSA-N 1 0 223.335 3.740 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000163964488 346584881 /nfs/dbraw/zinc/58/48/81/346584881.db2.gz FCEBMYVHBPQJOX-NSHDSACASA-N 1 0 249.251 3.890 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000163964598 346585069 /nfs/dbraw/zinc/58/50/69/346585069.db2.gz FCEBMYVHBPQJOX-LLVKDONJSA-N 1 0 249.251 3.890 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000164069614 200724676 /nfs/dbraw/zinc/72/46/76/200724676.db2.gz QQITWEBZDCPSJK-DMRZNYOFSA-N 1 0 229.367 3.711 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1cccc(F)c1 ZINC000164073653 135213395 /nfs/dbraw/zinc/21/33/95/135213395.db2.gz RTMQLROPZRWLBY-FZMZJTMJSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1cccc(F)c1 ZINC000164073764 535807778 /nfs/dbraw/zinc/80/77/78/535807778.db2.gz RTMQLROPZRWLBY-SMDDNHRTSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc(F)c1 ZINC000164073882 135212949 /nfs/dbraw/zinc/21/29/49/135212949.db2.gz RTMQLROPZRWLBY-RISCZKNCSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1cccc(F)c1 ZINC000164073998 135213492 /nfs/dbraw/zinc/21/34/92/135213492.db2.gz RTMQLROPZRWLBY-BXUZGUMPSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+]Cc1cc(C)ccc1F)C(C)C ZINC000164111310 388154148 /nfs/dbraw/zinc/15/41/48/388154148.db2.gz GQGFTAJFUYKLBA-AWEZNQCLSA-N 1 0 223.335 3.658 10 0 BHAERO CC[C@@H]([NH2+]Cc1cc(C)ccc1F)C(C)C ZINC000164111400 388154036 /nfs/dbraw/zinc/15/40/36/388154036.db2.gz GQGFTAJFUYKLBA-CQSZACIVSA-N 1 0 223.335 3.658 10 0 BHAERO CC[C@H]([NH2+]Cc1sc(C)nc1C)C(C)(C)C ZINC000164185377 135215803 /nfs/dbraw/zinc/21/58/03/135215803.db2.gz WZSLZZLBKSPNMS-LBPRGKRZSA-N 1 0 240.416 3.674 10 0 BHAERO CC[C@@H]([NH2+]Cc1sc(C)nc1C)C(C)(C)C ZINC000164185472 361699699 /nfs/dbraw/zinc/69/96/99/361699699.db2.gz WZSLZZLBKSPNMS-GFCCVEGCSA-N 1 0 240.416 3.674 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000164422024 346603900 /nfs/dbraw/zinc/60/39/00/346603900.db2.gz APWYPGJIPVRAEY-NSHDSACASA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000164422145 346603933 /nfs/dbraw/zinc/60/39/33/346603933.db2.gz APWYPGJIPVRAEY-LLVKDONJSA-N 1 0 215.699 3.525 10 0 BHAERO CCc1ccc(C[NH2+][C@@H]2CC[C@H](CC)C2)s1 ZINC000164428560 203080293 /nfs/dbraw/zinc/08/02/93/203080293.db2.gz SMKOHSOMRXHENS-NWDGAFQWSA-N 1 0 237.412 3.979 10 0 BHAERO CCc1ccc(C[NH2+][C@H]2CC[C@H](CC)C2)s1 ZINC000164428688 203080733 /nfs/dbraw/zinc/08/07/33/203080733.db2.gz SMKOHSOMRXHENS-RYUDHWBXSA-N 1 0 237.412 3.979 10 0 BHAERO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](CC)C2)s1 ZINC000164428808 203081695 /nfs/dbraw/zinc/08/16/95/203081695.db2.gz SMKOHSOMRXHENS-VXGBXAGGSA-N 1 0 237.412 3.979 10 0 BHAERO CCc1ccc(C[NH2+][C@H]2CC[C@@H](CC)C2)s1 ZINC000164428929 203082755 /nfs/dbraw/zinc/08/27/55/203082755.db2.gz SMKOHSOMRXHENS-NEPJUHHUSA-N 1 0 237.412 3.979 10 0 BHAERO CC[C@H]([NH2+]Cc1occc1C)C(C)(C)C ZINC000164519926 203152716 /nfs/dbraw/zinc/15/27/16/203152716.db2.gz WWMYNMIFACVIAZ-LBPRGKRZSA-N 1 0 209.333 3.502 10 0 BHAERO CC[C@@H]([NH2+]Cc1occc1C)C(C)(C)C ZINC000164520054 203152373 /nfs/dbraw/zinc/15/23/73/203152373.db2.gz WWMYNMIFACVIAZ-GFCCVEGCSA-N 1 0 209.333 3.502 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000164562802 203184908 /nfs/dbraw/zinc/18/49/08/203184908.db2.gz XIVTYUYUMJYOJB-QMMMGPOBSA-N 1 0 249.832 3.805 10 0 BHAERO CCSCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000164562914 203185253 /nfs/dbraw/zinc/18/52/53/203185253.db2.gz XIVTYUYUMJYOJB-MRVPVSSYSA-N 1 0 249.832 3.805 10 0 BHAERO c1cc2cc([C@@H]3C[NH2+]Cc4ccccc43)ccc2o1 ZINC000164922568 346633773 /nfs/dbraw/zinc/63/37/73/346633773.db2.gz OXXAACBFGXDZHK-INIZCTEOSA-N 1 0 249.313 3.668 10 0 BHAERO c1cc2cc([C@H]3C[NH2+]Cc4ccccc43)ccc2o1 ZINC000164922706 343071661 /nfs/dbraw/zinc/07/16/61/343071661.db2.gz OXXAACBFGXDZHK-MRXNPFEDSA-N 1 0 249.313 3.668 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000165021793 388388844 /nfs/dbraw/zinc/38/88/44/388388844.db2.gz XYARCHFFXZIBIN-DGCLKSJQSA-N 1 0 223.747 3.618 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000165031351 326419022 /nfs/dbraw/zinc/41/90/22/326419022.db2.gz OOIJLOPPXRQOBS-DGCLKSJQSA-N 1 0 223.747 3.618 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000165036855 388389221 /nfs/dbraw/zinc/38/92/21/388389221.db2.gz GKUHNPDKJNRFDW-ZWNOBZJWSA-N 1 0 223.747 3.618 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000165050116 326419040 /nfs/dbraw/zinc/41/90/40/326419040.db2.gz JNZAFUNZENEIRZ-TZMCWYRMSA-N 1 0 235.396 3.687 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000165056429 326419172 /nfs/dbraw/zinc/41/91/72/326419172.db2.gz HHQCZUSNBZPLPF-PSASIEDQSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000165105242 206139526 /nfs/dbraw/zinc/13/95/26/206139526.db2.gz ZHLPBSVBICVBSV-YUTCNCBUSA-N 1 0 203.329 3.526 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000165105479 206139703 /nfs/dbraw/zinc/13/97/03/206139703.db2.gz ZHLPBSVBICVBSV-IACUBPJLSA-N 1 0 203.329 3.526 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000165195160 342881309 /nfs/dbraw/zinc/88/13/09/342881309.db2.gz LKHYPFZFDQEGSY-NSHDSACASA-N 1 0 247.260 3.631 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000165195266 353218587 /nfs/dbraw/zinc/21/85/87/353218587.db2.gz LKHYPFZFDQEGSY-LLVKDONJSA-N 1 0 247.260 3.631 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)(C)C ZINC000165520565 538935991 /nfs/dbraw/zinc/93/59/91/538935991.db2.gz GCVMSURLKZUJNN-NSHDSACASA-N 1 0 240.778 3.649 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)(C)C ZINC000165520697 640583047 /nfs/dbraw/zinc/58/30/47/640583047.db2.gz GCVMSURLKZUJNN-LLVKDONJSA-N 1 0 240.778 3.649 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)ccc1F ZINC000165550527 203384519 /nfs/dbraw/zinc/38/45/19/203384519.db2.gz PXGKVEWMQWZKKF-QWRGUYRKSA-N 1 0 221.319 3.583 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)ccc1F ZINC000165550773 203386096 /nfs/dbraw/zinc/38/60/96/203386096.db2.gz PXGKVEWMQWZKKF-MNOVXSKESA-N 1 0 221.319 3.583 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000165596528 203384763 /nfs/dbraw/zinc/38/47/63/203384763.db2.gz NPFZBYWPWOARGK-OLZOCXBDSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000165596638 203386020 /nfs/dbraw/zinc/38/60/20/203386020.db2.gz NPFZBYWPWOARGK-STQMWFEESA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000165596779 203385199 /nfs/dbraw/zinc/38/51/99/203385199.db2.gz NPFZBYWPWOARGK-CHWSQXEVSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000165596927 203386205 /nfs/dbraw/zinc/38/62/05/203386205.db2.gz NPFZBYWPWOARGK-QWHCGFSZSA-N 1 0 209.377 3.591 10 0 BHAERO c1cc2ccc([C@@H]3C[NH2+]Cc4ccccc43)cc2o1 ZINC000165709211 343225042 /nfs/dbraw/zinc/22/50/42/343225042.db2.gz WGLMWYZWOPBOMO-INIZCTEOSA-N 1 0 249.313 3.668 10 0 BHAERO c1cc2ccc([C@H]3C[NH2+]Cc4ccccc43)cc2o1 ZINC000165709346 343225016 /nfs/dbraw/zinc/22/50/16/343225016.db2.gz WGLMWYZWOPBOMO-MRXNPFEDSA-N 1 0 249.313 3.668 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2ccccc2s1 ZINC000166169395 203388472 /nfs/dbraw/zinc/38/84/72/203388472.db2.gz XZSWWGNDOVWIND-SCVCMEIPSA-N 1 0 231.364 3.960 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2ccccc2s1 ZINC000166169524 203387820 /nfs/dbraw/zinc/38/78/20/203387820.db2.gz XZSWWGNDOVWIND-NHCYSSNCSA-N 1 0 231.364 3.960 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2ccccc2s1 ZINC000166169639 203387463 /nfs/dbraw/zinc/38/74/63/203387463.db2.gz XZSWWGNDOVWIND-JFGNBEQYSA-N 1 0 231.364 3.960 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2ccccc2s1 ZINC000166169766 203387885 /nfs/dbraw/zinc/38/78/85/203387885.db2.gz XZSWWGNDOVWIND-JBLDHEPKSA-N 1 0 231.364 3.960 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1F ZINC000166292513 136331775 /nfs/dbraw/zinc/33/17/75/136331775.db2.gz IEIDMEXEFIKVCR-FZMZJTMJSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1F ZINC000166292628 535807828 /nfs/dbraw/zinc/80/78/28/535807828.db2.gz IEIDMEXEFIKVCR-SMDDNHRTSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1F ZINC000166292755 136331806 /nfs/dbraw/zinc/33/18/06/136331806.db2.gz IEIDMEXEFIKVCR-RISCZKNCSA-N 1 0 223.335 3.911 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1F ZINC000166292859 136331598 /nfs/dbraw/zinc/33/15/98/136331598.db2.gz IEIDMEXEFIKVCR-BXUZGUMPSA-N 1 0 223.335 3.911 10 0 BHAERO CC(C)CSC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000166349897 344870615 /nfs/dbraw/zinc/87/06/15/344870615.db2.gz GULUIADORBOOCZ-CYBMUJFWSA-N 1 0 237.412 3.554 10 0 BHAERO CC(C)CSC[C@H](C)[NH2+]Cc1ccccc1 ZINC000166350014 344870964 /nfs/dbraw/zinc/87/09/64/344870964.db2.gz GULUIADORBOOCZ-ZDUSSCGKSA-N 1 0 237.412 3.554 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000166451724 538865354 /nfs/dbraw/zinc/86/53/54/538865354.db2.gz OPVCUSWTMIRZFU-RDBSUJKOSA-N 1 0 219.372 3.813 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000166451892 538864697 /nfs/dbraw/zinc/86/46/97/538864697.db2.gz OPVCUSWTMIRZFU-HZSPNIEDSA-N 1 0 219.372 3.813 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000166453577 528420795 /nfs/dbraw/zinc/42/07/95/528420795.db2.gz ZASLORDUNZDNBQ-MNOVXSKESA-N 1 0 237.412 3.932 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000166453703 528972573 /nfs/dbraw/zinc/97/25/73/528972573.db2.gz ZASLORDUNZDNBQ-QWRGUYRKSA-N 1 0 237.412 3.932 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000166453828 528421442 /nfs/dbraw/zinc/42/14/42/528421442.db2.gz ZASLORDUNZDNBQ-GHMZBOCLSA-N 1 0 237.412 3.932 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000166453965 528972338 /nfs/dbraw/zinc/97/23/38/528972338.db2.gz ZASLORDUNZDNBQ-WDEREUQCSA-N 1 0 237.412 3.932 10 0 BHAERO CC(C)(C)CCc1c2c(ccc1F)[C@@H]([NH3+])CC2 ZINC000166584287 343690527 /nfs/dbraw/zinc/69/05/27/343690527.db2.gz RTVOVHRUDXMRLL-AWEZNQCLSA-N 1 0 235.346 3.750 10 0 BHAERO CC(C)(C)CCc1c2c(ccc1F)[C@H]([NH3+])CC2 ZINC000166584376 343690518 /nfs/dbraw/zinc/69/05/18/343690518.db2.gz RTVOVHRUDXMRLL-CQSZACIVSA-N 1 0 235.346 3.750 10 0 BHAERO COc1cccc([C@@H]2CCC[N@@H+](C(C)(C)C)C2)c1 ZINC000166876047 345925409 /nfs/dbraw/zinc/92/54/09/345925409.db2.gz GHXNMADYTZOUAI-CQSZACIVSA-N 1 0 247.382 3.673 10 0 BHAERO COc1cccc([C@H]2CCC[N@@H+](C(C)(C)C)C2)c1 ZINC000166876157 345925039 /nfs/dbraw/zinc/92/50/39/345925039.db2.gz GHXNMADYTZOUAI-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO CCC[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000166907928 344369576 /nfs/dbraw/zinc/36/95/76/344369576.db2.gz GRPBLVJEUQLBRM-CQSZACIVSA-N 1 0 247.382 3.707 10 0 BHAERO CCC[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000166908046 344369544 /nfs/dbraw/zinc/36/95/44/344369544.db2.gz GRPBLVJEUQLBRM-AWEZNQCLSA-N 1 0 247.382 3.707 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cccnc1Cl)C(C)C ZINC000166943608 171538429 /nfs/dbraw/zinc/53/84/29/171538429.db2.gz HPCHJFVBZREJLE-JQWIXIFHSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C(C)C ZINC000166943695 346694756 /nfs/dbraw/zinc/69/47/56/346694756.db2.gz HPCHJFVBZREJLE-CMPLNLGQSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccnc1Cl)C(C)C ZINC000166943785 385291119 /nfs/dbraw/zinc/29/11/19/385291119.db2.gz HPCHJFVBZREJLE-PWSUYJOCSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cccnc1Cl)C(C)C ZINC000166943862 346694918 /nfs/dbraw/zinc/69/49/18/346694918.db2.gz HPCHJFVBZREJLE-ZYHUDNBSSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(C)C ZINC000166944066 640687999 /nfs/dbraw/zinc/68/79/99/640687999.db2.gz TWNRWNTUUTYCON-NWDGAFQWSA-N 1 0 231.449 3.931 10 0 BHAERO CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)C ZINC000166944167 640688628 /nfs/dbraw/zinc/68/86/28/640688628.db2.gz TWNRWNTUUTYCON-NEPJUHHUSA-N 1 0 231.449 3.931 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)C ZINC000166944244 633123665 /nfs/dbraw/zinc/12/36/65/633123665.db2.gz TWNRWNTUUTYCON-VXGBXAGGSA-N 1 0 231.449 3.931 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)C ZINC000166945250 640688061 /nfs/dbraw/zinc/68/80/61/640688061.db2.gz QMXWLJXGWJFHIA-JQWIXIFHSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)C ZINC000166945361 633123223 /nfs/dbraw/zinc/12/32/23/633123223.db2.gz QMXWLJXGWJFHIA-CMPLNLGQSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccnc(Cl)c1)C(C)C ZINC000166945475 633123894 /nfs/dbraw/zinc/12/38/94/633123894.db2.gz QMXWLJXGWJFHIA-PWSUYJOCSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)C(C)C ZINC000166945583 633123231 /nfs/dbraw/zinc/12/32/31/633123231.db2.gz QMXWLJXGWJFHIA-ZYHUDNBSSA-N 1 0 240.778 3.820 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)C(C)C)o1 ZINC000166948383 206142274 /nfs/dbraw/zinc/14/22/74/206142274.db2.gz IHOFGCXSZWZLSN-YPMHNXCESA-N 1 0 223.360 3.927 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H](CC)C(C)C)o1 ZINC000166948489 206142252 /nfs/dbraw/zinc/14/22/52/206142252.db2.gz IHOFGCXSZWZLSN-AAEUAGOBSA-N 1 0 223.360 3.927 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@H](CC)C(C)C)o1 ZINC000166948599 206140766 /nfs/dbraw/zinc/14/07/66/206140766.db2.gz IHOFGCXSZWZLSN-DGCLKSJQSA-N 1 0 223.360 3.927 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H](CC)C(C)C)o1 ZINC000166948703 206141024 /nfs/dbraw/zinc/14/10/24/206141024.db2.gz IHOFGCXSZWZLSN-WCQYABFASA-N 1 0 223.360 3.927 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1cccc(Cl)c1 ZINC000167124035 643603313 /nfs/dbraw/zinc/60/33/13/643603313.db2.gz YKOWBWZZAHEJRB-CUOATXAZSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1cccc(Cl)c1 ZINC000167124244 640702001 /nfs/dbraw/zinc/70/20/01/640702001.db2.gz YKOWBWZZAHEJRB-QCZZGDTMSA-N 1 0 235.758 3.584 10 0 BHAERO CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000167288233 206144788 /nfs/dbraw/zinc/14/47/88/206144788.db2.gz OVCZHDLHWGBMQR-GMXVVIOVSA-N 1 0 235.396 3.858 10 0 BHAERO CCSc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000167288392 206144437 /nfs/dbraw/zinc/14/44/37/206144437.db2.gz OVCZHDLHWGBMQR-GVXVVHGQSA-N 1 0 235.396 3.858 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000167291121 206143888 /nfs/dbraw/zinc/14/38/88/206143888.db2.gz FIOFYTMGFCPAAX-NMKXLXIOSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccs1 ZINC000167293721 206143978 /nfs/dbraw/zinc/14/39/78/206143978.db2.gz XRIWAIWDUZURAU-WOPDTQHZSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccs1 ZINC000167293819 206143875 /nfs/dbraw/zinc/14/38/75/206143875.db2.gz XRIWAIWDUZURAU-SRVKXCTJSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccs1 ZINC000167293920 206144042 /nfs/dbraw/zinc/14/40/42/206144042.db2.gz XRIWAIWDUZURAU-UTUOFQBUSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccs1 ZINC000167294017 206144345 /nfs/dbraw/zinc/14/43/45/206144345.db2.gz XRIWAIWDUZURAU-TUAOUCFPSA-N 1 0 223.385 3.833 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc(C)c1F ZINC000167301437 206146462 /nfs/dbraw/zinc/14/64/62/206146462.db2.gz XEKOFEOZMGFPFS-LJUAHTATSA-N 1 0 221.319 3.502 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc(C)c1F ZINC000167301665 206020844 /nfs/dbraw/zinc/02/08/44/206020844.db2.gz XEKOFEOZMGFPFS-QWRKXWFKSA-N 1 0 221.319 3.502 10 0 BHAERO CC(C)CCC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000167432010 488194401 /nfs/dbraw/zinc/19/44/01/488194401.db2.gz YGYYFEOXKGFGTP-UHFFFAOYSA-N 1 0 247.382 3.514 10 0 BHAERO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C(C)C ZINC000167472148 346251934 /nfs/dbraw/zinc/25/19/34/346251934.db2.gz HZBYXEXVFIFEMM-HNNXBMFYSA-N 1 0 217.356 3.650 10 0 BHAERO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C(C)C ZINC000167472267 346252014 /nfs/dbraw/zinc/25/20/14/346252014.db2.gz HZBYXEXVFIFEMM-OAHLLOKOSA-N 1 0 217.356 3.650 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000168082207 351291279 /nfs/dbraw/zinc/29/12/79/351291279.db2.gz XWNXCNWOYMZCSJ-NSHDSACASA-N 1 0 249.251 3.890 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000168082290 351291491 /nfs/dbraw/zinc/29/14/91/351291491.db2.gz XWNXCNWOYMZCSJ-LLVKDONJSA-N 1 0 249.251 3.890 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168251483 205502701 /nfs/dbraw/zinc/50/27/01/205502701.db2.gz MLMGYIGCTFPXKW-SECBINFHSA-N 1 0 229.726 3.613 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168251577 205502562 /nfs/dbraw/zinc/50/25/62/205502562.db2.gz MLMGYIGCTFPXKW-VIFPVBQESA-N 1 0 229.726 3.613 10 0 BHAERO c1ccc([C@H]2C[C@@H](c3ccccc3)CC[NH2+]2)cc1 ZINC000168252219 345810467 /nfs/dbraw/zinc/81/04/67/345810467.db2.gz COFFWHUPDJKIJX-DLBZAZTESA-N 1 0 237.346 3.895 10 0 BHAERO c1ccc([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000168252310 346731952 /nfs/dbraw/zinc/73/19/52/346731952.db2.gz COFFWHUPDJKIJX-IAGOWNOFSA-N 1 0 237.346 3.895 10 0 BHAERO c1ccc([C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000168252414 345810256 /nfs/dbraw/zinc/81/02/56/345810256.db2.gz COFFWHUPDJKIJX-IRXDYDNUSA-N 1 0 237.346 3.895 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2sccc2s1 ZINC000168806544 357240290 /nfs/dbraw/zinc/24/02/90/357240290.db2.gz MZCHVVVEPBMDLN-JTQLQIEISA-N 1 0 211.355 3.619 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2sccc2s1 ZINC000168806639 357240502 /nfs/dbraw/zinc/24/05/02/357240502.db2.gz MZCHVVVEPBMDLN-SNVBAGLBSA-N 1 0 211.355 3.619 10 0 BHAERO [NH3+]C1CCC(c2ccc(Cl)c(Cl)c2)CC1 ZINC000168809099 345392420 /nfs/dbraw/zinc/39/24/20/345392420.db2.gz GZLRHPKTVLWSEX-UHFFFAOYSA-N 1 0 244.165 3.978 10 0 BHAERO Cc1cc([C@H]([NH3+])C2CCCC2)sc1C ZINC000169034081 358013961 /nfs/dbraw/zinc/01/39/61/358013961.db2.gz RWUZNXWCPHSFPA-GFCCVEGCSA-N 1 0 209.358 3.555 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2CCCC2)sc1C ZINC000169034158 358013826 /nfs/dbraw/zinc/01/38/26/358013826.db2.gz RWUZNXWCPHSFPA-LBPRGKRZSA-N 1 0 209.358 3.555 10 0 BHAERO CC[NH2+][C@@H](C)c1c(Cl)cccc1Cl ZINC000169061272 358098588 /nfs/dbraw/zinc/09/85/88/358098588.db2.gz VHVANBPYNKPQJD-ZETCQYMHSA-N 1 0 218.127 3.664 10 0 BHAERO CC[NH2+][C@H](C)c1c(Cl)cccc1Cl ZINC000169061354 358099005 /nfs/dbraw/zinc/09/90/05/358099005.db2.gz VHVANBPYNKPQJD-SSDOTTSWSA-N 1 0 218.127 3.664 10 0 BHAERO CCN1c2ccccc2CC[C@@H]1C(C)(C)C ZINC000169218864 346755976 /nfs/dbraw/zinc/75/59/76/346755976.db2.gz PHRLPSDMTXUMNT-CQSZACIVSA-N 1 0 217.356 3.874 10 0 BHAERO Cc1ccc([C@H]([NH3+])CC(C)C)cc1Cl ZINC000169256754 359978656 /nfs/dbraw/zinc/97/86/56/359978656.db2.gz FJMJAGVCTCQPLA-GFCCVEGCSA-N 1 0 211.736 3.694 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CC(C)C)cc1Cl ZINC000169256825 359978351 /nfs/dbraw/zinc/97/83/51/359978351.db2.gz FJMJAGVCTCQPLA-LBPRGKRZSA-N 1 0 211.736 3.694 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cccc(F)c1Cl ZINC000169265689 360015505 /nfs/dbraw/zinc/01/55/05/360015505.db2.gz DBDAATGWNMFFQG-JTQLQIEISA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000169265745 360015696 /nfs/dbraw/zinc/01/56/96/360015696.db2.gz DBDAATGWNMFFQG-SNVBAGLBSA-N 1 0 215.699 3.525 10 0 BHAERO C[NH2+][C@H](C)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000169283030 384668284 /nfs/dbraw/zinc/66/82/84/384668284.db2.gz KWAJMWRMGZDBOA-ZCFIWIBFSA-N 1 0 237.652 3.639 10 0 BHAERO Cc1cc(C)c2c(c1)C=C(C[NH+]1CCCC1)CC2 ZINC000169321671 177880107 /nfs/dbraw/zinc/88/01/07/177880107.db2.gz CSCBSNVJZGHABN-UHFFFAOYSA-N 1 0 241.378 3.729 10 0 BHAERO CCc1ccc2c(c1)C=C(C[NH+]1CCCC1)CC2 ZINC000169324792 171847131 /nfs/dbraw/zinc/84/71/31/171847131.db2.gz KYCCPNSEAZLHHZ-UHFFFAOYSA-N 1 0 241.378 3.674 10 0 BHAERO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@H](C)C1 ZINC000171686354 365226003 /nfs/dbraw/zinc/22/60/03/365226003.db2.gz MEGUZIAFUYMGNN-OCCSQVGLSA-N 1 0 235.396 3.575 10 0 BHAERO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@H](C)C1 ZINC000171686357 365225276 /nfs/dbraw/zinc/22/52/76/365225276.db2.gz MEGUZIAFUYMGNN-TZMCWYRMSA-N 1 0 235.396 3.575 10 0 BHAERO c1csc([C@@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)n1 ZINC000171735801 188338708 /nfs/dbraw/zinc/33/87/08/188338708.db2.gz LIZHKHCFJCQBHU-STQMWFEESA-N 1 0 248.395 3.779 10 0 BHAERO c1csc([C@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)n1 ZINC000171735805 385514093 /nfs/dbraw/zinc/51/40/93/385514093.db2.gz LIZHKHCFJCQBHU-QWHCGFSZSA-N 1 0 248.395 3.779 10 0 BHAERO c1coc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000172030211 134264445 /nfs/dbraw/zinc/26/44/45/134264445.db2.gz XAIDMXGBBSSDRU-STQMWFEESA-N 1 0 217.312 3.525 10 0 BHAERO c1coc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000172030214 134264562 /nfs/dbraw/zinc/26/45/62/134264562.db2.gz XAIDMXGBBSSDRU-QWHCGFSZSA-N 1 0 217.312 3.525 10 0 BHAERO CC(C)[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000172414990 384584165 /nfs/dbraw/zinc/58/41/65/384584165.db2.gz KFKADZMXWHQAAX-UHFFFAOYSA-N 1 0 240.350 3.608 10 0 BHAERO CC(C)[C@@H](C)SCc1nccn1C(C)C ZINC000172971703 167387333 /nfs/dbraw/zinc/38/73/33/167387333.db2.gz JUXJPEGHSMSPDS-LLVKDONJSA-N 1 0 226.389 3.742 10 0 BHAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177188020 365986447 /nfs/dbraw/zinc/98/64/47/365986447.db2.gz ZALZCQKEIKBVRK-GXTWGEPZSA-N 1 0 242.322 3.573 10 0 BHAERO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177188031 365986293 /nfs/dbraw/zinc/98/62/93/365986293.db2.gz ZALZCQKEIKBVRK-TZMCWYRMSA-N 1 0 242.322 3.573 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCCOC)cc1 ZINC000178137861 385189284 /nfs/dbraw/zinc/18/92/84/385189284.db2.gz VPWPVSUMMGQXKZ-UONOGXRCSA-N 1 0 249.398 3.715 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)CCCOC)cc1 ZINC000178137872 385188634 /nfs/dbraw/zinc/18/86/34/385188634.db2.gz VPWPVSUMMGQXKZ-KBPBESRZSA-N 1 0 249.398 3.715 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)CCCOC)cc1 ZINC000178137886 385189006 /nfs/dbraw/zinc/18/90/06/385189006.db2.gz VPWPVSUMMGQXKZ-ZIAGYGMSSA-N 1 0 249.398 3.715 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H](C)CCCOC)cc1 ZINC000178137895 385188831 /nfs/dbraw/zinc/18/88/31/385188831.db2.gz VPWPVSUMMGQXKZ-KGLIPLIRSA-N 1 0 249.398 3.715 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178335707 388498490 /nfs/dbraw/zinc/49/84/90/388498490.db2.gz KFYQZABXTKWKSD-OLZOCXBDSA-N 1 0 242.366 3.930 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178335717 388498223 /nfs/dbraw/zinc/49/82/23/388498223.db2.gz KFYQZABXTKWKSD-STQMWFEESA-N 1 0 242.366 3.930 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178335725 528420946 /nfs/dbraw/zinc/42/09/46/528420946.db2.gz KFYQZABXTKWKSD-CHWSQXEVSA-N 1 0 242.366 3.930 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178335736 388498550 /nfs/dbraw/zinc/49/85/50/388498550.db2.gz KFYQZABXTKWKSD-QWHCGFSZSA-N 1 0 242.366 3.930 10 0 BHAERO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178611430 134312055 /nfs/dbraw/zinc/31/20/55/134312055.db2.gz QGCQGRRBVYSPBI-CJNGLKHVSA-N 1 0 240.350 3.559 10 0 BHAERO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178611439 134311997 /nfs/dbraw/zinc/31/19/97/134311997.db2.gz QGCQGRRBVYSPBI-BBRMVZONSA-N 1 0 240.350 3.559 10 0 BHAERO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178611449 535606572 /nfs/dbraw/zinc/60/65/72/535606572.db2.gz QGCQGRRBVYSPBI-CZUORRHYSA-N 1 0 240.350 3.559 10 0 BHAERO CC[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178611460 134312232 /nfs/dbraw/zinc/31/22/32/134312232.db2.gz QGCQGRRBVYSPBI-XJKSGUPXSA-N 1 0 240.350 3.559 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000179008987 176233515 /nfs/dbraw/zinc/23/35/15/176233515.db2.gz JZLFJNGMVCMPOF-WBMJQRKESA-N 1 0 240.350 3.743 10 0 BHAERO C[C@H]1CC[C@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000179008999 177205386 /nfs/dbraw/zinc/20/53/86/177205386.db2.gz JZLFJNGMVCMPOF-LRDDRELGSA-N 1 0 240.350 3.743 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000179009013 176213597 /nfs/dbraw/zinc/21/35/97/176213597.db2.gz JZLFJNGMVCMPOF-MLGOLLRUSA-N 1 0 240.350 3.743 10 0 BHAERO C[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000179009024 177193641 /nfs/dbraw/zinc/19/36/41/177193641.db2.gz JZLFJNGMVCMPOF-BLLLJJGKSA-N 1 0 240.350 3.743 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180870842 384269113 /nfs/dbraw/zinc/26/91/13/384269113.db2.gz ILDCSFFBLVAJAJ-RISCZKNCSA-N 1 0 243.306 3.570 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180870855 384267401 /nfs/dbraw/zinc/26/74/01/384267401.db2.gz ILDCSFFBLVAJAJ-FZMZJTMJSA-N 1 0 243.306 3.570 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180870870 384267585 /nfs/dbraw/zinc/26/75/85/384267585.db2.gz ILDCSFFBLVAJAJ-BXUZGUMPSA-N 1 0 243.306 3.570 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180870890 384267919 /nfs/dbraw/zinc/26/79/19/384267919.db2.gz ILDCSFFBLVAJAJ-SMDDNHRTSA-N 1 0 243.306 3.570 10 0 BHAERO CCC(C)(C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000181376247 366805943 /nfs/dbraw/zinc/80/59/43/366805943.db2.gz CLODBGQSSMTWPS-GFCCVEGCSA-N 1 0 235.371 3.577 10 0 BHAERO CCC(C)(C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000181376264 366805832 /nfs/dbraw/zinc/80/58/32/366805832.db2.gz CLODBGQSSMTWPS-LBPRGKRZSA-N 1 0 235.371 3.577 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+]CCCCCCCO ZINC000181560115 642883076 /nfs/dbraw/zinc/88/30/76/642883076.db2.gz CLVDWLSNUTYTJH-HNNXBMFYSA-N 1 0 249.398 3.588 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182065550 167384597 /nfs/dbraw/zinc/38/45/97/167384597.db2.gz ABBRAAAHMSGXFU-MNOVXSKESA-N 1 0 232.327 3.523 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182065568 385633770 /nfs/dbraw/zinc/63/37/70/385633770.db2.gz ABBRAAAHMSGXFU-QWRGUYRKSA-N 1 0 232.327 3.523 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000182065588 167385481 /nfs/dbraw/zinc/38/54/81/167385481.db2.gz ABBRAAAHMSGXFU-GHMZBOCLSA-N 1 0 232.327 3.523 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000182065607 187309486 /nfs/dbraw/zinc/30/94/86/187309486.db2.gz ABBRAAAHMSGXFU-WDEREUQCSA-N 1 0 232.327 3.523 10 0 BHAERO CCC1([NH2+]C[C@@H](C)c2ccc(OC)cc2)CCC1 ZINC000182538897 345933711 /nfs/dbraw/zinc/93/37/11/345933711.db2.gz JDHXKVVWIBBBKS-CYBMUJFWSA-N 1 0 247.382 3.721 10 0 BHAERO CCC1([NH2+]C[C@H](C)c2ccc(OC)cc2)CCC1 ZINC000182538917 345934061 /nfs/dbraw/zinc/93/40/61/345934061.db2.gz JDHXKVVWIBBBKS-ZDUSSCGKSA-N 1 0 247.382 3.721 10 0 BHAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000184255091 384585898 /nfs/dbraw/zinc/58/58/98/384585898.db2.gz ISCOZWCKHPOTNU-NEPJUHHUSA-N 1 0 246.379 3.863 10 0 BHAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000184255109 384586844 /nfs/dbraw/zinc/58/68/44/384586844.db2.gz ISCOZWCKHPOTNU-RYUDHWBXSA-N 1 0 246.379 3.863 10 0 BHAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000184255127 384585737 /nfs/dbraw/zinc/58/57/37/384585737.db2.gz ISCOZWCKHPOTNU-VXGBXAGGSA-N 1 0 246.379 3.863 10 0 BHAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000184255138 179688965 /nfs/dbraw/zinc/68/89/65/179688965.db2.gz ISCOZWCKHPOTNU-NWDGAFQWSA-N 1 0 246.379 3.863 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncc(C)c2)o1 ZINC000184258272 384585056 /nfs/dbraw/zinc/58/50/56/384585056.db2.gz NQTYCJOKAXOHHS-QWHCGFSZSA-N 1 0 244.338 3.703 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cncc(C)c2)o1 ZINC000184258289 384585022 /nfs/dbraw/zinc/58/50/22/384585022.db2.gz NQTYCJOKAXOHHS-STQMWFEESA-N 1 0 244.338 3.703 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(C)c2)o1 ZINC000184258304 384585272 /nfs/dbraw/zinc/58/52/72/384585272.db2.gz NQTYCJOKAXOHHS-CHWSQXEVSA-N 1 0 244.338 3.703 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cncc(C)c2)o1 ZINC000184258317 384584703 /nfs/dbraw/zinc/58/47/03/384584703.db2.gz NQTYCJOKAXOHHS-OLZOCXBDSA-N 1 0 244.338 3.703 10 0 BHAERO CC/C=C/CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000184396271 256845724 /nfs/dbraw/zinc/84/57/24/256845724.db2.gz LXJOUUREGIKMKE-PGLGOXFNSA-N 1 0 235.293 3.617 10 0 BHAERO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000184559331 388579099 /nfs/dbraw/zinc/57/90/99/388579099.db2.gz XIHJGBDPHPQMMU-ITDFMYJTSA-N 1 0 219.328 3.773 10 0 BHAERO CC/C=C/CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000184559354 388578954 /nfs/dbraw/zinc/57/89/54/388578954.db2.gz XIHJGBDPHPQMMU-OOPCZODUSA-N 1 0 219.328 3.773 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000185063316 256850421 /nfs/dbraw/zinc/85/04/21/256850421.db2.gz RWJGRXLWYAPUIR-WLYUNCDWSA-N 1 0 247.382 3.602 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000185063335 388584423 /nfs/dbraw/zinc/58/44/23/388584423.db2.gz RWJGRXLWYAPUIR-NFOMZHRRSA-N 1 0 247.382 3.602 10 0 BHAERO CC/C=C/CC[NH2+][C@@H](C)c1cccs1 ZINC000185439022 385730754 /nfs/dbraw/zinc/73/07/54/385730754.db2.gz GRYIUZAEMRGRSJ-ZWNMCFTASA-N 1 0 209.358 3.755 10 0 BHAERO CC/C=C/CC[NH2+][C@H](C)c1cccs1 ZINC000185439037 205712866 /nfs/dbraw/zinc/71/28/66/205712866.db2.gz GRYIUZAEMRGRSJ-SGUJLRQBSA-N 1 0 209.358 3.755 10 0 BHAERO CC/C=C/CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000185439313 385730054 /nfs/dbraw/zinc/73/00/54/385730054.db2.gz NSLAPBLLWCWXIV-FYJFLYSWSA-N 1 0 207.317 3.595 10 0 BHAERO CC/C=C/CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000185439330 205712838 /nfs/dbraw/zinc/71/28/38/205712838.db2.gz NSLAPBLLWCWXIV-BTDICHCPSA-N 1 0 207.317 3.595 10 0 BHAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000186209564 388597841 /nfs/dbraw/zinc/59/78/41/388597841.db2.gz AOCXLGRBTKFWTL-SWLSCSKDSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000186209581 259516631 /nfs/dbraw/zinc/51/66/31/259516631.db2.gz AOCXLGRBTKFWTL-IUODEOHRSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H](CCC1CC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000186209597 388597908 /nfs/dbraw/zinc/59/79/08/388597908.db2.gz AOCXLGRBTKFWTL-WFASDCNBSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000186209612 259516185 /nfs/dbraw/zinc/51/61/85/259516185.db2.gz AOCXLGRBTKFWTL-DOMZBBRYSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)c(C)n1 ZINC000187493698 387199775 /nfs/dbraw/zinc/19/97/75/387199775.db2.gz DUIHOURCOPXQSU-LBPRGKRZSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)c2cccs2)c(C)n1 ZINC000187493716 387200188 /nfs/dbraw/zinc/20/01/88/387200188.db2.gz DUIHOURCOPXQSU-GFCCVEGCSA-N 1 0 246.379 3.611 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccsc1 ZINC000187698557 386578152 /nfs/dbraw/zinc/57/81/52/386578152.db2.gz OBJTXFSKFWJBSG-ZMLRMANQSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccsc1 ZINC000187698596 386577388 /nfs/dbraw/zinc/57/73/88/386577388.db2.gz OBJTXFSKFWJBSG-DLOVCJGASA-N 1 0 209.358 3.587 10 0 BHAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000190946096 386047568 /nfs/dbraw/zinc/04/75/68/386047568.db2.gz IVSPURTWYSUEDT-JOYOIKCWSA-N 1 0 243.272 3.512 10 0 BHAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@@H]1C ZINC000190946113 219928578 /nfs/dbraw/zinc/92/85/78/219928578.db2.gz IVSPURTWYSUEDT-CABZTGNLSA-N 1 0 243.272 3.512 10 0 BHAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H]1C ZINC000190946130 386046947 /nfs/dbraw/zinc/04/69/47/386046947.db2.gz IVSPURTWYSUEDT-BXKDBHETSA-N 1 0 243.272 3.512 10 0 BHAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@H]1C ZINC000190946150 219928483 /nfs/dbraw/zinc/92/84/83/219928483.db2.gz IVSPURTWYSUEDT-SKDRFNHKSA-N 1 0 243.272 3.512 10 0 BHAERO Cc1c[nH+]ccc1N[C@@H](C)c1ccc(F)cc1F ZINC000191977076 538993847 /nfs/dbraw/zinc/99/38/47/538993847.db2.gz VGURJRGKKORXFU-JTQLQIEISA-N 1 0 248.276 3.841 10 0 BHAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000192741876 388683752 /nfs/dbraw/zinc/68/37/52/388683752.db2.gz CCAOHDVNZLXFRZ-VXGBXAGGSA-N 1 0 207.317 3.605 10 0 BHAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000192741890 388683847 /nfs/dbraw/zinc/68/38/47/388683847.db2.gz CCAOHDVNZLXFRZ-NWDGAFQWSA-N 1 0 207.317 3.605 10 0 BHAERO C[C@H](C1CC1)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000192939461 644199609 /nfs/dbraw/zinc/19/96/09/644199609.db2.gz MORDUKFVJCEFNV-BCYPYKBLSA-N 1 0 234.170 3.592 10 0 BHAERO C[C@@H](C1CC1)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000192939481 644200192 /nfs/dbraw/zinc/20/01/92/644200192.db2.gz MORDUKFVJCEFNV-ZKGVAJPASA-N 1 0 234.170 3.592 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000192982577 386806799 /nfs/dbraw/zinc/80/67/99/386806799.db2.gz YWLLZGGNZJVHNL-MRVPVSSYSA-N 1 0 217.765 3.536 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1sccc1Cl ZINC000192982587 386807455 /nfs/dbraw/zinc/80/74/55/386807455.db2.gz YWLLZGGNZJVHNL-QMMMGPOBSA-N 1 0 217.765 3.536 10 0 BHAERO Cc1c[nH+]ccc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000195334442 387918357 /nfs/dbraw/zinc/91/83/57/387918357.db2.gz IVUMEZORJSLSDZ-JTQLQIEISA-N 1 0 248.276 3.841 10 0 BHAERO Cc1c[nH+]ccc1N[C@H](C)c1ccc(F)c(F)c1 ZINC000195334452 387919906 /nfs/dbraw/zinc/91/99/06/387919906.db2.gz IVUMEZORJSLSDZ-SNVBAGLBSA-N 1 0 248.276 3.841 10 0 BHAERO CC(C)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360805 387909794 /nfs/dbraw/zinc/90/97/94/387909794.db2.gz OMMNYDHDWMTQBA-GFCCVEGCSA-N 1 0 238.400 3.716 10 0 BHAERO CC(C)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195360812 387910296 /nfs/dbraw/zinc/91/02/96/387910296.db2.gz OMMNYDHDWMTQBA-LBPRGKRZSA-N 1 0 238.400 3.716 10 0 BHAERO C[Si](C)(C)C1C=C[NH+]([Si](C)(C)C)C=C1 ZINC000196043280 188086815 /nfs/dbraw/zinc/08/68/15/188086815.db2.gz MJLQTXJEKQTNRI-UHFFFAOYSA-N 1 0 225.484 3.873 10 0 BHAERO C1=CCC2=C(CC([NH2+]C3CCCCC3)C2)C1 ZINC000196232388 343630556 /nfs/dbraw/zinc/63/05/56/343630556.db2.gz KLMOFJKDFGVEPV-UHFFFAOYSA-N 1 0 217.356 3.718 10 0 BHAERO CC[NH2+]Cc1c(C)nc2ccc(C)cc2c1Cl ZINC000196272687 347865354 /nfs/dbraw/zinc/86/53/54/347865354.db2.gz DFVHYVDDNRJWRS-UHFFFAOYSA-N 1 0 248.757 3.615 10 0 BHAERO CCCC[NH+](CCCC)[Si](C)(C)C ZINC000196320043 343630236 /nfs/dbraw/zinc/63/02/36/343630236.db2.gz HBJBDCQZMCBJEB-UHFFFAOYSA-N 1 0 201.430 3.724 10 0 BHAERO [NH3+]CCCCc1ccccc1-c1ccccc1 ZINC000196370707 347867718 /nfs/dbraw/zinc/86/77/18/347867718.db2.gz RPPYVBBEEXAIPM-UHFFFAOYSA-N 1 0 225.335 3.635 10 0 BHAERO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=CC1 ZINC000196531671 347922745 /nfs/dbraw/zinc/92/27/45/347922745.db2.gz LCURRAIGMWCTJY-UHFFFAOYSA-N 1 0 240.350 3.728 10 0 BHAERO Cc1cc(-c2ccc(Cl)cc2)c(CO)c(C)n1 ZINC000196765765 397969499 /nfs/dbraw/zinc/96/94/99/397969499.db2.gz MAJLZHONRUYAOD-UHFFFAOYSA-N 1 0 247.725 3.511 10 0 BHAERO CCCC[NH2+]CCCO[Si](C)(C)C(C)(C)C ZINC000200093682 345027405 /nfs/dbraw/zinc/02/74/05/345027405.db2.gz SAZGPQQZFLWZGQ-UHFFFAOYSA-N 1 0 245.483 3.788 10 0 BHAERO [NH2+]=C(c1ccccc1)c1cccc(Cl)c1 ZINC000200431302 343290878 /nfs/dbraw/zinc/29/08/78/343290878.db2.gz UAYWTRRTTJSFEK-UHFFFAOYSA-N 1 0 215.683 3.756 10 0 BHAERO C[C@@H]([NH2+]CC[C@H]1C=CCC1)c1ccccc1 ZINC000201039838 343321046 /nfs/dbraw/zinc/32/10/46/343321046.db2.gz YJHCQRSRVLLWMS-KGLIPLIRSA-N 1 0 215.340 3.694 10 0 BHAERO C[C@@H]([NH2+]CC[C@@H]1C=CCC1)c1ccccc1 ZINC000201039873 343320941 /nfs/dbraw/zinc/32/09/41/343320941.db2.gz YJHCQRSRVLLWMS-ZIAGYGMSSA-N 1 0 215.340 3.694 10 0 BHAERO [NH3+]Cc1cc2ccc(Oc3ccccc3)cc2o1 ZINC000201194781 347875830 /nfs/dbraw/zinc/87/58/30/347875830.db2.gz OJMLMLDZPUWOEA-UHFFFAOYSA-N 1 0 239.274 3.684 10 0 BHAERO Cc1cc(C[NH2+]CCC(C)C)ccc1Cl ZINC000204819049 589377193 /nfs/dbraw/zinc/37/71/93/589377193.db2.gz UNPLZRVUTDUWTI-UHFFFAOYSA-N 1 0 225.763 3.784 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@H]2CC1CCCCC1 ZINC000205974778 589480764 /nfs/dbraw/zinc/48/07/64/589480764.db2.gz MSJTXJFOXIGYLZ-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@@H]2CC1CCCCC1 ZINC000205974795 589480801 /nfs/dbraw/zinc/48/08/01/589480801.db2.gz MSJTXJFOXIGYLZ-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO C/C=C/C[NH+]([Si](C)(C)C)[Si](C)(C)C ZINC000207706324 345758800 /nfs/dbraw/zinc/75/88/00/345758800.db2.gz KUWWXZLMBLTASV-CMDGGOBGSA-N 1 0 215.489 3.534 10 0 BHAERO Clc1ccccc1[C@@H]1C[NH2+]CC12CCCC2 ZINC000211577895 368399167 /nfs/dbraw/zinc/39/91/67/368399167.db2.gz ZJZRQTFJBSJWGF-LBPRGKRZSA-N 1 0 235.758 3.587 10 0 BHAERO Clc1ccccc1[C@H]1C[NH2+]CC12CCCC2 ZINC000211577983 368399574 /nfs/dbraw/zinc/39/95/74/368399574.db2.gz ZJZRQTFJBSJWGF-GFCCVEGCSA-N 1 0 235.758 3.587 10 0 BHAERO Clc1cccc([C@@H]2C[NH2+]CC23CCCC3)c1 ZINC000211578090 368399585 /nfs/dbraw/zinc/39/95/85/368399585.db2.gz YXOQSTGKKINFHQ-ZDUSSCGKSA-N 1 0 235.758 3.587 10 0 BHAERO Clc1cccc([C@H]2C[NH2+]CC23CCCC3)c1 ZINC000211578156 368398954 /nfs/dbraw/zinc/39/89/54/368398954.db2.gz YXOQSTGKKINFHQ-CYBMUJFWSA-N 1 0 235.758 3.587 10 0 BHAERO Clc1ccc([C@@H]2C[NH2+]CC23CCCC3)cc1 ZINC000211578265 368398908 /nfs/dbraw/zinc/39/89/08/368398908.db2.gz UHUVOTLIZYMQBL-ZDUSSCGKSA-N 1 0 235.758 3.587 10 0 BHAERO Clc1ccc([C@H]2C[NH2+]CC23CCCC3)cc1 ZINC000211578326 368399423 /nfs/dbraw/zinc/39/94/23/368399423.db2.gz UHUVOTLIZYMQBL-CYBMUJFWSA-N 1 0 235.758 3.587 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000211871370 383880481 /nfs/dbraw/zinc/88/04/81/383880481.db2.gz BYDNGZVOYQPLFW-IAQYHMDHSA-N 1 0 235.346 3.837 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000211871435 383880500 /nfs/dbraw/zinc/88/05/00/383880500.db2.gz BYDNGZVOYQPLFW-XHDPSFHLSA-N 1 0 235.346 3.837 10 0 BHAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000211871509 322963953 /nfs/dbraw/zinc/96/39/53/322963953.db2.gz BYDNGZVOYQPLFW-ABAIWWIYSA-N 1 0 235.346 3.837 10 0 BHAERO CC(C)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000211871592 383880037 /nfs/dbraw/zinc/88/00/37/383880037.db2.gz BYDNGZVOYQPLFW-NHYWBVRUSA-N 1 0 235.346 3.837 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000211878209 256574159 /nfs/dbraw/zinc/57/41/59/256574159.db2.gz AEFMAYGDDHWTLH-IAQYHMDHSA-N 1 0 235.346 3.981 10 0 BHAERO CCCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000211878280 383899157 /nfs/dbraw/zinc/89/91/57/383899157.db2.gz AEFMAYGDDHWTLH-XHDPSFHLSA-N 1 0 235.346 3.981 10 0 BHAERO CCCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000211878351 256573867 /nfs/dbraw/zinc/57/38/67/256573867.db2.gz AEFMAYGDDHWTLH-ABAIWWIYSA-N 1 0 235.346 3.981 10 0 BHAERO CCCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000211878417 383900515 /nfs/dbraw/zinc/90/05/15/383900515.db2.gz AEFMAYGDDHWTLH-NHYWBVRUSA-N 1 0 235.346 3.981 10 0 BHAERO CCC(CC)(C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000211889916 538054053 /nfs/dbraw/zinc/05/40/53/538054053.db2.gz KLDCAKUFNOCRBH-UHFFFAOYSA-N 1 0 245.288 3.722 10 0 BHAERO CC(C)CCCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000211926273 591277440 /nfs/dbraw/zinc/27/74/40/591277440.db2.gz NUOYYZRAGHYDEP-OAHLLOKOSA-N 1 0 247.382 3.926 10 0 BHAERO CC(C)CCCC[NH2+][C@H]1CCOc2ccccc21 ZINC000211926343 591277053 /nfs/dbraw/zinc/27/70/53/591277053.db2.gz NUOYYZRAGHYDEP-HNNXBMFYSA-N 1 0 247.382 3.926 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000212715592 488029119 /nfs/dbraw/zinc/02/91/19/488029119.db2.gz WCWBOOMAWBPTCG-LWINAJNOSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000212715662 488029083 /nfs/dbraw/zinc/02/90/83/488029083.db2.gz WCWBOOMAWBPTCG-UBJUHAIHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000212715724 488029147 /nfs/dbraw/zinc/02/91/47/488029147.db2.gz WCWBOOMAWBPTCG-RGNHYFCHSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000212715786 488029050 /nfs/dbraw/zinc/02/90/50/488029050.db2.gz WCWBOOMAWBPTCG-YVZVNANGSA-N 1 0 227.710 3.538 10 0 BHAERO C[C@@H]1Cc2ccc(C(C)(C)C)cc2[C@H]([NH3+])C1 ZINC000213608966 539028007 /nfs/dbraw/zinc/02/80/07/539028007.db2.gz LIQRWXWFMFTELT-QMTHXVAHSA-N 1 0 217.356 3.566 10 0 BHAERO C[C@H]1Cc2ccc(C(C)(C)C)cc2[C@H]([NH3+])C1 ZINC000213609025 539028285 /nfs/dbraw/zinc/02/82/85/539028285.db2.gz LIQRWXWFMFTELT-IINYFYTJSA-N 1 0 217.356 3.566 10 0 BHAERO C[C@@H]1Cc2ccc(C(C)(C)C)cc2[C@@H]([NH3+])C1 ZINC000213609086 539028021 /nfs/dbraw/zinc/02/80/21/539028021.db2.gz LIQRWXWFMFTELT-YGRLFVJLSA-N 1 0 217.356 3.566 10 0 BHAERO C[C@H]1Cc2ccc(C(C)(C)C)cc2[C@@H]([NH3+])C1 ZINC000213609139 539028153 /nfs/dbraw/zinc/02/81/53/539028153.db2.gz LIQRWXWFMFTELT-HZMBPMFUSA-N 1 0 217.356 3.566 10 0 BHAERO C#[N+]c1cccc(OCc2ccccc2)c1 ZINC000214970733 352564340 /nfs/dbraw/zinc/56/43/40/352564340.db2.gz NEOLHGTUGWHEMW-UHFFFAOYSA-N 1 0 209.248 3.816 10 0 BHAERO CCC[N@@H+]1CCC[C@H](c2cccc(SC)c2)C1 ZINC000215404712 344125421 /nfs/dbraw/zinc/12/54/21/344125421.db2.gz DQQBAKJEWKQXPD-AWEZNQCLSA-N 1 0 249.423 3.998 10 0 BHAERO CC[C@H](c1ccccc1)[C@@H]1[NH2+]CC[C@@H]1CC ZINC000215995269 385857759 /nfs/dbraw/zinc/85/77/59/385857759.db2.gz TXYWEWYKMXZZNL-NWANDNLSSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@H](c1ccccc1)[C@H]1[NH2+]CC[C@@H]1CC ZINC000215995320 385856642 /nfs/dbraw/zinc/85/66/42/385856642.db2.gz TXYWEWYKMXZZNL-CFVMTHIKSA-N 1 0 217.356 3.568 10 0 BHAERO C[C@@H](O[C@H]1CCC[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000216075757 342779869 /nfs/dbraw/zinc/77/98/69/342779869.db2.gz FKIXDYOUVWYXQY-LUYZLQTOSA-N 1 0 247.382 3.670 10 0 BHAERO C[C@H](O[C@H]1CCC[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000216075797 342779851 /nfs/dbraw/zinc/77/98/51/342779851.db2.gz FKIXDYOUVWYXQY-BFJAYTPKSA-N 1 0 247.382 3.670 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@H]1CCC[C@@H](C)C1 ZINC000216075871 342779874 /nfs/dbraw/zinc/77/98/74/342779874.db2.gz GKJIPRVPOSDUPM-IVMMDQJWSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccccc1[C@H]([NH3+])CO[C@@H]1CCC[C@@H](C)C1 ZINC000216075921 342779792 /nfs/dbraw/zinc/77/97/92/342779792.db2.gz GKJIPRVPOSDUPM-XNRPHZJLSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccc([C@H]([NH3+])CO[C@H]2CCC[C@@H](C)C2)cc1 ZINC000216075989 371693381 /nfs/dbraw/zinc/69/33/81/371693381.db2.gz RGSBODAMIGCRBJ-VNQPRFMTSA-N 1 0 247.382 3.590 10 0 BHAERO Cc1ccc([C@H]([NH3+])CO[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000216076039 371693322 /nfs/dbraw/zinc/69/33/22/371693322.db2.gz RGSBODAMIGCRBJ-FVQBIDKESA-N 1 0 247.382 3.590 10 0 BHAERO C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000216097563 342828709 /nfs/dbraw/zinc/82/87/09/342828709.db2.gz PDINAAMGNVHYNB-IJEWVQPXSA-N 1 0 231.383 3.958 10 0 BHAERO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000216097607 342828652 /nfs/dbraw/zinc/82/86/52/342828652.db2.gz PDINAAMGNVHYNB-YCPHGPKFSA-N 1 0 231.383 3.958 10 0 BHAERO CC[C@@H]1CCCC[N@@H+]1C1=CC[C@@H](C)CC1 ZINC000216107446 523167690 /nfs/dbraw/zinc/16/76/90/523167690.db2.gz GQVOWWRAEMUFLJ-CHWSQXEVSA-N 1 0 207.361 3.955 10 0 BHAERO CC[C@H]1CCCC[N@@H+]1C1=CC[C@@H](C)CC1 ZINC000216107487 523017168 /nfs/dbraw/zinc/01/71/68/523017168.db2.gz GQVOWWRAEMUFLJ-OLZOCXBDSA-N 1 0 207.361 3.955 10 0 BHAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000216366709 323103910 /nfs/dbraw/zinc/10/39/10/323103910.db2.gz OGEZMQOYOWBKSV-NQBHXWOUSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000216366751 385865767 /nfs/dbraw/zinc/86/57/67/385865767.db2.gz OGEZMQOYOWBKSV-WZRBSPASSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@@H]1C ZINC000216426290 386169991 /nfs/dbraw/zinc/16/99/91/386169991.db2.gz FNKNRMZHBWDJMO-GZBFAFLISA-N 1 0 231.383 3.741 10 0 BHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[C@@H]1C ZINC000216426336 386169779 /nfs/dbraw/zinc/16/97/79/386169779.db2.gz FNKNRMZHBWDJMO-GUTXKFCHSA-N 1 0 231.383 3.741 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000216427383 259426659 /nfs/dbraw/zinc/42/66/59/259426659.db2.gz AGYPYNBSUIPXEI-IIMNLJJBSA-N 1 0 235.758 3.789 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000216427475 259426692 /nfs/dbraw/zinc/42/66/92/259426692.db2.gz AGYPYNBSUIPXEI-FZQKWOKYSA-N 1 0 235.758 3.789 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000216429334 386169135 /nfs/dbraw/zinc/16/91/35/386169135.db2.gz WMEYLRHZNQWMPS-OSMZGAPFSA-N 1 0 235.396 3.977 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000216429428 386168905 /nfs/dbraw/zinc/16/89/05/386168905.db2.gz WMEYLRHZNQWMPS-QKCSRTOESA-N 1 0 235.396 3.977 10 0 BHAERO CC(C)C[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000216509608 538115687 /nfs/dbraw/zinc/11/56/87/538115687.db2.gz VJFRRIJBHNPDPG-MGWQBKBZSA-N 1 0 235.415 3.693 10 0 BHAERO CC(C)C[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000216509656 538115666 /nfs/dbraw/zinc/11/56/66/538115666.db2.gz VJFRRIJBHNPDPG-WFWUXJIDSA-N 1 0 235.415 3.693 10 0 BHAERO Fc1c(Cl)ccc(Cl)c1[C@H]1CCC[NH2+]1 ZINC000216834903 343574835 /nfs/dbraw/zinc/57/48/35/343574835.db2.gz NCFBTMVUFNHYMM-MRVPVSSYSA-N 1 0 234.101 3.557 10 0 BHAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000217374382 371945124 /nfs/dbraw/zinc/94/51/24/371945124.db2.gz FYNOOEQKZUQHGF-PUMQYWBSSA-N 1 0 230.138 3.649 10 0 BHAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000217374547 371946251 /nfs/dbraw/zinc/94/62/51/371946251.db2.gz FYNOOEQKZUQHGF-CGYDSVCVSA-N 1 0 230.138 3.649 10 0 BHAERO Fc1ccc([C@@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000217861291 372020425 /nfs/dbraw/zinc/02/04/25/372020425.db2.gz RJKZJLDSRPKYQJ-NSHDSACASA-N 1 0 247.235 3.659 10 0 BHAERO Fc1ccc([C@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000217861377 372020486 /nfs/dbraw/zinc/02/04/86/372020486.db2.gz RJKZJLDSRPKYQJ-LLVKDONJSA-N 1 0 247.235 3.659 10 0 BHAERO Fc1c(Cl)ccc(Cl)c1[C@H]1CCCC[NH2+]1 ZINC000217911408 372026504 /nfs/dbraw/zinc/02/65/04/372026504.db2.gz RIWHZFLNQCRKQQ-SECBINFHSA-N 1 0 248.128 3.947 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218965399 388586892 /nfs/dbraw/zinc/58/68/92/388586892.db2.gz NWEWMAVXJIICEQ-KKOKHZNYSA-N 1 0 249.320 3.886 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)Cc1ccccc1F ZINC000219195044 386577683 /nfs/dbraw/zinc/57/76/83/386577683.db2.gz AFOQUXGTGQFIMQ-LNSITVRQSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccccc1F ZINC000219195195 386583232 /nfs/dbraw/zinc/58/32/32/386583232.db2.gz AFOQUXGTGQFIMQ-NJZAAPMLSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000219254323 388589620 /nfs/dbraw/zinc/58/96/20/388589620.db2.gz VBBSQPZQWILCAK-PXWWUCIGSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000219254441 388589765 /nfs/dbraw/zinc/58/97/65/388589765.db2.gz VBBSQPZQWILCAK-DRCTWCGVSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000219286626 134277501 /nfs/dbraw/zinc/27/75/01/134277501.db2.gz YMVKRXRYLPLEFO-SUHUHFCYSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000219286692 535494450 /nfs/dbraw/zinc/49/44/50/535494450.db2.gz YMVKRXRYLPLEFO-ZKYQVNSYSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000219421430 388591944 /nfs/dbraw/zinc/59/19/44/388591944.db2.gz XNPQTEOAJHSHPT-YUELXQCFSA-N 1 0 217.356 3.568 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000219421566 388591769 /nfs/dbraw/zinc/59/17/69/388591769.db2.gz XNPQTEOAJHSHPT-BPLDGKMQSA-N 1 0 217.356 3.568 10 0 BHAERO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000219486348 342873038 /nfs/dbraw/zinc/87/30/38/342873038.db2.gz BJIMJGRTYZPILA-MBNYWOFBSA-N 1 0 223.404 3.837 10 0 BHAERO C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000219486421 350128684 /nfs/dbraw/zinc/12/86/84/350128684.db2.gz BJIMJGRTYZPILA-DYEKYZERSA-N 1 0 223.404 3.837 10 0 BHAERO Cc1c(Cl)cccc1[C@@H]([NH3+])CC(C)C ZINC000220311352 344184306 /nfs/dbraw/zinc/18/43/06/344184306.db2.gz GSWKQVVLUUWHAC-LBPRGKRZSA-N 1 0 211.736 3.694 10 0 BHAERO Cc1c(Cl)cccc1[C@H]([NH3+])CC(C)C ZINC000220311423 344184275 /nfs/dbraw/zinc/18/42/75/344184275.db2.gz GSWKQVVLUUWHAC-GFCCVEGCSA-N 1 0 211.736 3.694 10 0 BHAERO CCCCCc1ccc(C2CC[NH2+]CC2)cc1 ZINC000220433700 344329929 /nfs/dbraw/zinc/32/99/29/344329929.db2.gz QWCCBBMLIMGHSY-UHFFFAOYSA-N 1 0 231.383 3.886 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cccc(Cl)c1C ZINC000220468931 344382891 /nfs/dbraw/zinc/38/28/91/344382891.db2.gz IYICNJUSMIWJEN-PRHODGIISA-N 1 0 211.736 3.694 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cccc(Cl)c1C ZINC000220468991 344382915 /nfs/dbraw/zinc/38/29/15/344382915.db2.gz IYICNJUSMIWJEN-QPUJVOFHSA-N 1 0 211.736 3.694 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cccc(Cl)c1C ZINC000220469038 344382889 /nfs/dbraw/zinc/38/28/89/344382889.db2.gz IYICNJUSMIWJEN-PELKAZGASA-N 1 0 211.736 3.694 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cccc(Cl)c1C ZINC000220469109 344382878 /nfs/dbraw/zinc/38/28/78/344382878.db2.gz IYICNJUSMIWJEN-UFBFGSQYSA-N 1 0 211.736 3.694 10 0 BHAERO c1ccc(CC[NH2+]CCCC2CCCC2)cc1 ZINC000220719936 635311542 /nfs/dbraw/zinc/31/15/42/635311542.db2.gz PIAOETSOWSTEEN-UHFFFAOYSA-N 1 0 231.383 3.789 10 0 BHAERO CCC1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000220913146 535322556 /nfs/dbraw/zinc/32/25/56/535322556.db2.gz UEOXIZPXGZDARH-HIFPTAJRSA-N 1 0 236.359 3.602 10 0 BHAERO CCC1CCC([NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC000220913203 535322273 /nfs/dbraw/zinc/32/22/73/535322273.db2.gz UEOXIZPXGZDARH-PNESKVBLSA-N 1 0 236.359 3.602 10 0 BHAERO CC(C)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000220930080 592378784 /nfs/dbraw/zinc/37/87/84/592378784.db2.gz RXRXUSJGHLCXCP-UHFFFAOYSA-N 1 0 219.372 3.501 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000220946672 134314817 /nfs/dbraw/zinc/31/48/17/134314817.db2.gz KUCDGZNNWKLAMC-IACUBPJLSA-N 1 0 248.370 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000220946796 134315219 /nfs/dbraw/zinc/31/52/19/134315219.db2.gz KUCDGZNNWKLAMC-YUTCNCBUSA-N 1 0 248.370 3.602 10 0 BHAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000221597991 346252604 /nfs/dbraw/zinc/25/26/04/346252604.db2.gz UESDZLUZBKSTRJ-ZYAQMDEOSA-N 1 0 230.138 3.649 10 0 BHAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000221598118 346252644 /nfs/dbraw/zinc/25/26/44/346252644.db2.gz UESDZLUZBKSTRJ-HLEGCSNESA-N 1 0 230.138 3.649 10 0 BHAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000221600727 346278074 /nfs/dbraw/zinc/27/80/74/346278074.db2.gz NHHSRXLKSXVUBT-GLDDHUGJSA-N 1 0 236.167 3.711 10 0 BHAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000221600835 346277925 /nfs/dbraw/zinc/27/79/25/346277925.db2.gz NHHSRXLKSXVUBT-OKMMGKLZSA-N 1 0 236.167 3.711 10 0 BHAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000221606027 346278068 /nfs/dbraw/zinc/27/80/68/346278068.db2.gz ADABJVPFIGTIAD-NFAWXSAZSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000221606102 346277738 /nfs/dbraw/zinc/27/77/38/346277738.db2.gz ADABJVPFIGTIAD-IPYPFGDCSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000222142115 134330081 /nfs/dbraw/zinc/33/00/81/134330081.db2.gz JATSGFRQFWYXRJ-LALPHHSUSA-N 1 0 247.407 3.720 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000222142226 134329970 /nfs/dbraw/zinc/32/99/70/134329970.db2.gz JATSGFRQFWYXRJ-JMSVASOKSA-N 1 0 247.407 3.720 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1OCC ZINC000222152523 323090617 /nfs/dbraw/zinc/09/06/17/323090617.db2.gz JJKPUOKUEHWDAG-GUTXKFCHSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1OCC ZINC000222152633 385680325 /nfs/dbraw/zinc/68/03/25/385680325.db2.gz JJKPUOKUEHWDAG-GZBFAFLISA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000222154050 388613626 /nfs/dbraw/zinc/61/36/26/388613626.db2.gz CKEMCCCGVYIUGE-KBMXLJTQSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000222154151 385680954 /nfs/dbraw/zinc/68/09/54/385680954.db2.gz CKEMCCCGVYIUGE-VNQPRFMTSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000222155484 388614069 /nfs/dbraw/zinc/61/40/69/388614069.db2.gz SCKKPGFQORYARN-KMUNFCNLSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000222155594 323090920 /nfs/dbraw/zinc/09/09/20/323090920.db2.gz SCKKPGFQORYARN-VCTAVGKDSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1sc(C)nc1C ZINC000222156461 134329929 /nfs/dbraw/zinc/32/99/29/134329929.db2.gz MGTCBALDPIYKBK-WCQGTBRESA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1sc(C)nc1C ZINC000222156568 535494526 /nfs/dbraw/zinc/49/45/26/535494526.db2.gz MGTCBALDPIYKBK-MVWJERBFSA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000222157567 385798545 /nfs/dbraw/zinc/79/85/45/385798545.db2.gz IIAVXJRYKIPLIO-NJZAAPMLSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000222157953 385798947 /nfs/dbraw/zinc/79/89/47/385798947.db2.gz WCQZWQZRSUJFQE-BJJXKVORSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000222158067 388613640 /nfs/dbraw/zinc/61/36/40/388613640.db2.gz WCQZWQZRSUJFQE-JGGQBBKZSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000222159040 259410683 /nfs/dbraw/zinc/41/06/83/259410683.db2.gz IGZWBTYVXASSMR-KCPJHIHWSA-N 1 0 249.785 3.585 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000222161633 388613697 /nfs/dbraw/zinc/61/36/97/388613697.db2.gz QLSIWCVAHOZIDD-RBZYPMLTSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000222161750 388613461 /nfs/dbraw/zinc/61/34/61/388613461.db2.gz QLSIWCVAHOZIDD-IMSIIYSGSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222163230 592470853 /nfs/dbraw/zinc/47/08/53/592470853.db2.gz QCWISHIDRQVWBE-NJZAAPMLSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000222163614 388614183 /nfs/dbraw/zinc/61/41/83/388614183.db2.gz LLAKREPTXLRDEJ-GUTXKFCHSA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000222163718 388614178 /nfs/dbraw/zinc/61/41/78/388614178.db2.gz LLAKREPTXLRDEJ-GZBFAFLISA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000222164350 388613926 /nfs/dbraw/zinc/61/39/26/388613926.db2.gz HIHYDJFJWLTYCT-RBZYPMLTSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000222164450 385808358 /nfs/dbraw/zinc/80/83/58/385808358.db2.gz HIHYDJFJWLTYCT-IMSIIYSGSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000222164594 358150515 /nfs/dbraw/zinc/15/05/15/358150515.db2.gz ZGZNQDYIAOBODF-GUTXKFCHSA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000222164702 358150524 /nfs/dbraw/zinc/15/05/24/358150524.db2.gz ZGZNQDYIAOBODF-GZBFAFLISA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000222166285 322903482 /nfs/dbraw/zinc/90/34/82/322903482.db2.gz BZOMREKUBFTGEZ-DFBGVHRSSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000222166405 322903379 /nfs/dbraw/zinc/90/33/79/322903379.db2.gz BZOMREKUBFTGEZ-KCPJHIHWSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000222166530 384068444 /nfs/dbraw/zinc/06/84/44/384068444.db2.gz DMRINEXZQCUSBG-RBZYPMLTSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000222166633 322904392 /nfs/dbraw/zinc/90/43/92/322904392.db2.gz DMRINEXZQCUSBG-IMSIIYSGSA-N 1 0 239.309 3.804 10 0 BHAERO CC1(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000222197082 358150194 /nfs/dbraw/zinc/15/01/94/358150194.db2.gz UJUWSVNSSMBLCI-CYBMUJFWSA-N 1 0 245.366 3.679 10 0 BHAERO CC1(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000222197134 358150758 /nfs/dbraw/zinc/15/07/58/358150758.db2.gz UJUWSVNSSMBLCI-ZDUSSCGKSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cc1F ZINC000222273618 388617659 /nfs/dbraw/zinc/61/76/59/388617659.db2.gz KJWIOWDCNLZMAQ-TZMCWYRMSA-N 1 0 233.330 3.893 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)cc1F ZINC000222273669 388617316 /nfs/dbraw/zinc/61/73/16/388617316.db2.gz KJWIOWDCNLZMAQ-GXTWGEPZSA-N 1 0 233.330 3.893 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)cc1F ZINC000222273725 388617942 /nfs/dbraw/zinc/61/79/42/388617942.db2.gz KJWIOWDCNLZMAQ-OCCSQVGLSA-N 1 0 233.330 3.893 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)cc1F ZINC000222273788 388617816 /nfs/dbraw/zinc/61/78/16/388617816.db2.gz KJWIOWDCNLZMAQ-JSGCOSHPSA-N 1 0 233.330 3.893 10 0 BHAERO C1=C(CC[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC000222382182 134334028 /nfs/dbraw/zinc/33/40/28/134334028.db2.gz GXEFMMPTORJMEF-MRXNPFEDSA-N 1 0 227.351 3.764 10 0 BHAERO C1=C(CC[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC000222382242 134333938 /nfs/dbraw/zinc/33/39/38/134333938.db2.gz GXEFMMPTORJMEF-INIZCTEOSA-N 1 0 227.351 3.764 10 0 BHAERO CC1(C)C[NH2+][C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000222526069 350976702 /nfs/dbraw/zinc/97/67/02/350976702.db2.gz BWXROKSQPABKFR-SNVBAGLBSA-N 1 0 230.138 3.664 10 0 BHAERO CC1(C)C[NH2+][C@H]1c1ccc(Cl)c(Cl)c1 ZINC000222526122 350976693 /nfs/dbraw/zinc/97/66/93/350976693.db2.gz BWXROKSQPABKFR-JTQLQIEISA-N 1 0 230.138 3.664 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000222581865 259328495 /nfs/dbraw/zinc/32/84/95/259328495.db2.gz XZFOCZVAUOZFJP-SWLSCSKDSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000222581928 388640586 /nfs/dbraw/zinc/64/05/86/388640586.db2.gz XZFOCZVAUOZFJP-WFASDCNBSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C(C)C ZINC000222581994 388640717 /nfs/dbraw/zinc/64/07/17/388640717.db2.gz XZFOCZVAUOZFJP-IUODEOHRSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(C)C ZINC000222582059 388640882 /nfs/dbraw/zinc/64/08/82/388640882.db2.gz XZFOCZVAUOZFJP-DOMZBBRYSA-N 1 0 237.362 3.781 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1C ZINC000222781429 178896463 /nfs/dbraw/zinc/89/64/63/178896463.db2.gz FZFUODPPAIJUQP-OFQRWUPVSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1C ZINC000222781562 386064448 /nfs/dbraw/zinc/06/44/48/386064448.db2.gz FZFUODPPAIJUQP-DZKIICNBSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)C ZINC000222815746 583179209 /nfs/dbraw/zinc/17/92/09/583179209.db2.gz KKVORCOULGNQCV-SWLSCSKDSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)C ZINC000222815810 583179377 /nfs/dbraw/zinc/17/93/77/583179377.db2.gz KKVORCOULGNQCV-WFASDCNBSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)C ZINC000222815874 583179280 /nfs/dbraw/zinc/17/92/80/583179280.db2.gz KKVORCOULGNQCV-IUODEOHRSA-N 1 0 237.362 3.781 10 0 BHAERO CC[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)C ZINC000222815930 583179232 /nfs/dbraw/zinc/17/92/32/583179232.db2.gz KKVORCOULGNQCV-DOMZBBRYSA-N 1 0 237.362 3.781 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cccc(N)c1 ZINC000222885836 351142991 /nfs/dbraw/zinc/14/29/91/351142991.db2.gz GZHFNFPVOWEHSJ-CQSZACIVSA-N 1 0 232.371 3.594 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cccc(N)c1 ZINC000222885901 351143339 /nfs/dbraw/zinc/14/33/39/351143339.db2.gz GZHFNFPVOWEHSJ-AWEZNQCLSA-N 1 0 232.371 3.594 10 0 BHAERO CCC(CC)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000222950475 350256904 /nfs/dbraw/zinc/25/69/04/350256904.db2.gz QLLYZRGXCSTGFJ-CVEARBPZSA-N 1 0 231.383 3.958 10 0 BHAERO CCC(CC)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000222950530 350257018 /nfs/dbraw/zinc/25/70/18/350257018.db2.gz QLLYZRGXCSTGFJ-HZPDHXFCSA-N 1 0 231.383 3.958 10 0 BHAERO CCC(CC)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC000222950580 490246092 /nfs/dbraw/zinc/24/60/92/490246092.db2.gz QLLYZRGXCSTGFJ-HOTGVXAUSA-N 1 0 231.383 3.958 10 0 BHAERO CCC(CC)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC000222950628 350257065 /nfs/dbraw/zinc/25/70/65/350257065.db2.gz QLLYZRGXCSTGFJ-JKSUJKDBSA-N 1 0 231.383 3.958 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000223152234 177335179 /nfs/dbraw/zinc/33/51/79/177335179.db2.gz WYBBBUSDQJRCJS-YKDSUIRESA-N 1 0 239.409 3.672 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000223152296 177333911 /nfs/dbraw/zinc/33/39/11/177333911.db2.gz WYBBBUSDQJRCJS-JZSSXWJLSA-N 1 0 239.409 3.672 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000223176625 259333253 /nfs/dbraw/zinc/33/32/53/259333253.db2.gz CADLPGYMXIDXGK-PMPSAXMXSA-N 1 0 229.367 3.916 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000223176735 259333210 /nfs/dbraw/zinc/33/32/10/259333210.db2.gz CADLPGYMXIDXGK-OAGGEKHMSA-N 1 0 229.367 3.916 10 0 BHAERO COc1ccc([C@@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000223177612 536889941 /nfs/dbraw/zinc/88/99/41/536889941.db2.gz FEVJCVWHDVCKFZ-HNNXBMFYSA-N 1 0 245.366 3.536 10 0 BHAERO COc1ccc([C@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000223177669 536930320 /nfs/dbraw/zinc/93/03/20/536930320.db2.gz FEVJCVWHDVCKFZ-OAHLLOKOSA-N 1 0 245.366 3.536 10 0 BHAERO CC(C)CC[NH2+]CCc1ccc(Cl)s1 ZINC000223483049 166859247 /nfs/dbraw/zinc/85/92/47/166859247.db2.gz IRFOFLZOINRWNV-UHFFFAOYSA-N 1 0 231.792 3.580 10 0 BHAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)OC)cc1 ZINC000223958591 398100815 /nfs/dbraw/zinc/10/08/15/398100815.db2.gz STUWGFLMILKGBC-ZIAGYGMSSA-N 1 0 249.398 3.715 10 0 BHAERO CCCCc1ccc([C@H](C)[NH2+]C[C@@H](C)OC)cc1 ZINC000223958638 398100692 /nfs/dbraw/zinc/10/06/92/398100692.db2.gz STUWGFLMILKGBC-KGLIPLIRSA-N 1 0 249.398 3.715 10 0 BHAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@H](C)OC)cc1 ZINC000223958692 259344411 /nfs/dbraw/zinc/34/44/11/259344411.db2.gz STUWGFLMILKGBC-UONOGXRCSA-N 1 0 249.398 3.715 10 0 BHAERO CCCCc1ccc([C@H](C)[NH2+]C[C@H](C)OC)cc1 ZINC000223958753 259571049 /nfs/dbraw/zinc/57/10/49/259571049.db2.gz STUWGFLMILKGBC-KBPBESRZSA-N 1 0 249.398 3.715 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224107734 187465086 /nfs/dbraw/zinc/46/50/86/187465086.db2.gz KPIYWNCZHFKOKU-HBNTYKKESA-N 1 0 237.309 3.742 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224107840 592552338 /nfs/dbraw/zinc/55/23/38/592552338.db2.gz KPIYWNCZHFKOKU-AXFHLTTASA-N 1 0 237.309 3.742 10 0 BHAERO CCOC1CC([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000224383086 388663169 /nfs/dbraw/zinc/66/31/69/388663169.db2.gz NDINKFKSQKFJNA-JEYLPNPQSA-N 1 0 247.382 3.522 10 0 BHAERO CCOC1CC([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000224383133 384891901 /nfs/dbraw/zinc/89/19/01/384891901.db2.gz NDINKFKSQKFJNA-IUDNXUCKSA-N 1 0 247.382 3.522 10 0 BHAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000224422844 640617293 /nfs/dbraw/zinc/61/72/93/640617293.db2.gz BCTMYRXNUYXLDF-CWRNSKLLSA-N 1 0 247.382 3.522 10 0 BHAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000224426416 640618456 /nfs/dbraw/zinc/61/84/56/640618456.db2.gz LIHMCIHAZDHKDL-CWRNSKLLSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@](C)([NH2+][C@@H]1CC[C@@H](C)C1)c1nccs1 ZINC000224855049 535842422 /nfs/dbraw/zinc/84/24/22/535842422.db2.gz HFJFWPFLKAJLOE-WZRBSPASSA-N 1 0 238.400 3.547 10 0 BHAERO CC[C@](C)([NH2+][C@H]1CC[C@@H](C)C1)c1nccs1 ZINC000224855134 535841446 /nfs/dbraw/zinc/84/14/46/535841446.db2.gz HFJFWPFLKAJLOE-MDZLAQPJSA-N 1 0 238.400 3.547 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(F)c1F ZINC000225004939 487605721 /nfs/dbraw/zinc/60/57/21/487605721.db2.gz VCYPJYVEIRYAAK-CWSCBRNRSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(F)c1F ZINC000225005007 259355173 /nfs/dbraw/zinc/35/51/73/259355173.db2.gz VCYPJYVEIRYAAK-OPQQBVKSSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000226329867 387446259 /nfs/dbraw/zinc/44/62/59/387446259.db2.gz YTMMFQLSWWPDSX-NUEKZKHPSA-N 1 0 231.383 3.786 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000226329936 388715514 /nfs/dbraw/zinc/71/55/14/388715514.db2.gz CLFZMWOAEHQHPW-LNSITVRQSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000226329948 388715709 /nfs/dbraw/zinc/71/57/09/388715709.db2.gz CLFZMWOAEHQHPW-NJZAAPMLSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000226383830 323150489 /nfs/dbraw/zinc/15/04/89/323150489.db2.gz MSVFDDJXLYZKDA-KCJUWKMLSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000226383832 388716844 /nfs/dbraw/zinc/71/68/44/388716844.db2.gz MSVFDDJXLYZKDA-KWQFWETISA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000226383836 259611490 /nfs/dbraw/zinc/61/14/90/259611490.db2.gz MSVFDDJXLYZKDA-LDYMZIIASA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000226383840 388717538 /nfs/dbraw/zinc/71/75/38/388717538.db2.gz MSVFDDJXLYZKDA-GZMMTYOYSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000226383865 538115720 /nfs/dbraw/zinc/11/57/20/538115720.db2.gz YCWWPIKHHCJSFP-ZBFHGGJFSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000226383873 538115816 /nfs/dbraw/zinc/11/58/16/538115816.db2.gz YCWWPIKHHCJSFP-HOCLYGCPSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000226383879 491097591 /nfs/dbraw/zinc/09/75/91/491097591.db2.gz YCWWPIKHHCJSFP-GDBMZVCRSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000226383882 538115863 /nfs/dbraw/zinc/11/58/63/538115863.db2.gz YCWWPIKHHCJSFP-GOEBONIOSA-N 1 0 240.350 3.513 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CC(C)(C)C1 ZINC000226500268 388721099 /nfs/dbraw/zinc/72/10/99/388721099.db2.gz TTWXPUVYDDMVOY-MGPQQGTHSA-N 1 0 221.388 3.900 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CC(C)(C)C1 ZINC000226500282 388720673 /nfs/dbraw/zinc/72/06/73/388720673.db2.gz TTWXPUVYDDMVOY-MCIONIFRSA-N 1 0 221.388 3.900 10 0 BHAERO CCCCC1=C[C@@H](C(C)C)[N@@H+]2CCC[C@@H]12 ZINC000226556996 188254551 /nfs/dbraw/zinc/25/45/51/188254551.db2.gz LIMJJVZSJWIQEO-KBPBESRZSA-N 1 0 207.361 3.606 10 0 BHAERO CCCCC1=C[C@H](C(C)C)[N@@H+]2CCC[C@@H]12 ZINC000226557005 188182869 /nfs/dbraw/zinc/18/28/69/188182869.db2.gz LIMJJVZSJWIQEO-UONOGXRCSA-N 1 0 207.361 3.606 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000226582681 259615376 /nfs/dbraw/zinc/61/53/76/259615376.db2.gz LGIHMMQZIXCRBS-CWRNSKLLSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000226589160 259615358 /nfs/dbraw/zinc/61/53/58/259615358.db2.gz ATERIKAZDOYCPI-RRFJBIMHSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)sc1Cl ZINC000226662301 371720160 /nfs/dbraw/zinc/72/01/60/371720160.db2.gz NKIFBZUXBLMCIG-MRVPVSSYSA-N 1 0 217.765 3.756 10 0 BHAERO Cc1cc([C@H]([NH3+])C(C)(C)C)sc1Cl ZINC000226662305 371719506 /nfs/dbraw/zinc/71/95/06/371719506.db2.gz NKIFBZUXBLMCIG-QMMMGPOBSA-N 1 0 217.765 3.756 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2CCC2)sc1Cl ZINC000226663236 371720017 /nfs/dbraw/zinc/72/00/17/371720017.db2.gz AIZJRCJPECGJPQ-VIFPVBQESA-N 1 0 215.749 3.510 10 0 BHAERO Cc1cc([C@H]([NH3+])C2CCC2)sc1Cl ZINC000226663240 371719409 /nfs/dbraw/zinc/71/94/09/371719409.db2.gz AIZJRCJPECGJPQ-SECBINFHSA-N 1 0 215.749 3.510 10 0 BHAERO CCC1(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000226785157 343264538 /nfs/dbraw/zinc/26/45/38/343264538.db2.gz DPRXJLIMXMOICX-UHFFFAOYSA-N 1 0 240.350 3.515 10 0 BHAERO CC1(C[NH2+]Cc2ccnc3ccccc23)CCC1 ZINC000226787805 324809279 /nfs/dbraw/zinc/80/92/79/324809279.db2.gz JCBAXNXLDLJZSW-UHFFFAOYSA-N 1 0 240.350 3.515 10 0 BHAERO CCCC[N@@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858898 134370390 /nfs/dbraw/zinc/37/03/90/134370390.db2.gz SCFPJKADLMEZMY-GOEBONIOSA-N 1 0 246.398 3.609 10 0 BHAERO CCCC[N@@H+]1CC[C@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858908 134370264 /nfs/dbraw/zinc/37/02/64/134370264.db2.gz SCFPJKADLMEZMY-HOCLYGCPSA-N 1 0 246.398 3.609 10 0 BHAERO C[C@@H]1CCC[C@H]([C@@H]([NH3+])c2ccsc2)C1 ZINC000226993710 371764462 /nfs/dbraw/zinc/76/44/62/371764462.db2.gz NHZHFJXDJJMFEF-JFGNBEQYSA-N 1 0 209.358 3.574 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@@H]([NH3+])c2ccsc2)C1 ZINC000226993720 371765116 /nfs/dbraw/zinc/76/51/16/371765116.db2.gz NHZHFJXDJJMFEF-CKYFFXLPSA-N 1 0 209.358 3.574 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CC[C@@H](CC)C1)c1nccs1 ZINC000227205045 134375810 /nfs/dbraw/zinc/37/58/10/134375810.db2.gz LLMDFXKCZLLGMD-IJLUTSLNSA-N 1 0 238.400 3.763 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC)C1)c1nccs1 ZINC000227205057 535809156 /nfs/dbraw/zinc/80/91/56/535809156.db2.gz LLMDFXKCZLLGMD-GRYCIOLGSA-N 1 0 238.400 3.763 10 0 BHAERO Cc1ccc(F)c(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000227288413 388746961 /nfs/dbraw/zinc/74/69/61/388746961.db2.gz JNEZJSKHNLRWBO-LBPRGKRZSA-N 1 0 235.346 3.802 10 0 BHAERO Cc1ccc(F)c(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000227288416 388746935 /nfs/dbraw/zinc/74/69/35/388746935.db2.gz JNEZJSKHNLRWBO-GFCCVEGCSA-N 1 0 235.346 3.802 10 0 BHAERO C[C@@H]1CC[C@H]([C@@H]([NH3+])c2ccc(Cl)s2)C1 ZINC000227511911 371878756 /nfs/dbraw/zinc/87/87/56/371878756.db2.gz RQYQEDDDXZQPST-VHSKPIJISA-N 1 0 229.776 3.838 10 0 BHAERO C[C@@H]1CC[C@@H]([C@@H]([NH3+])c2ccc(Cl)s2)C1 ZINC000227511928 371878996 /nfs/dbraw/zinc/87/89/96/371878996.db2.gz RQYQEDDDXZQPST-SOCHQFKDSA-N 1 0 229.776 3.838 10 0 BHAERO Cc1c2ccccc2n(C)c1C[NH2+]CCC(C)C ZINC000227516417 259632244 /nfs/dbraw/zinc/63/22/44/259632244.db2.gz PVQGXGMQGRVERJ-UHFFFAOYSA-N 1 0 244.382 3.622 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C2CCCCCCC2)o1 ZINC000227556129 640841710 /nfs/dbraw/zinc/84/17/10/640841710.db2.gz BNGSKGXNJYJNCW-GFCCVEGCSA-N 1 0 236.359 3.747 10 0 BHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000227556326 134383556 /nfs/dbraw/zinc/38/35/56/134383556.db2.gz KINDGXSMZSTPME-YNEHKIRRSA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000227556336 134383351 /nfs/dbraw/zinc/38/33/51/134383351.db2.gz KINDGXSMZSTPME-XQQFMLRXSA-N 1 0 236.359 3.602 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000227598486 640842341 /nfs/dbraw/zinc/84/23/41/640842341.db2.gz KXDHMTHZISXCBF-MLGOLLRUSA-N 1 0 240.350 3.513 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000227728784 259633440 /nfs/dbraw/zinc/63/34/40/259633440.db2.gz AIYFYCWMPSPIPA-MCIONIFRSA-N 1 0 207.361 3.511 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000227762463 388758842 /nfs/dbraw/zinc/75/88/42/388758842.db2.gz RYWHKVNNIJGVNG-BXUZGUMPSA-N 1 0 229.323 3.711 10 0 BHAERO Cc1sccc1[C@@H]([NH3+])C1CCCCC1 ZINC000227783168 346281768 /nfs/dbraw/zinc/28/17/68/346281768.db2.gz ZPFILHSCYUKRJR-LBPRGKRZSA-N 1 0 209.358 3.637 10 0 BHAERO Cc1sccc1[C@H]([NH3+])C1CCCCC1 ZINC000227783170 346281799 /nfs/dbraw/zinc/28/17/99/346281799.db2.gz ZPFILHSCYUKRJR-GFCCVEGCSA-N 1 0 209.358 3.637 10 0 BHAERO C[NH2+][C@@H](c1ccsc1C)C1CCCC1 ZINC000227785261 371939901 /nfs/dbraw/zinc/93/99/01/371939901.db2.gz AIRKUSWXCWQUHQ-GFCCVEGCSA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@H](c1ccsc1C)C1CCCC1 ZINC000227785265 371939767 /nfs/dbraw/zinc/93/97/67/371939767.db2.gz AIRKUSWXCWQUHQ-LBPRGKRZSA-N 1 0 209.358 3.507 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H](c2ccsc2C)C1 ZINC000227852439 346756118 /nfs/dbraw/zinc/75/61/18/346756118.db2.gz QOJGDAGWCRPQMU-ZYHUDNBSSA-N 1 0 209.358 3.507 10 0 BHAERO CC[C@H]1CC[NH2+][C@@H](c2ccsc2C)C1 ZINC000227852442 346755895 /nfs/dbraw/zinc/75/58/95/346755895.db2.gz QOJGDAGWCRPQMU-CMPLNLGQSA-N 1 0 209.358 3.507 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H](c2ccsc2C)C1 ZINC000227852444 346756113 /nfs/dbraw/zinc/75/61/13/346756113.db2.gz QOJGDAGWCRPQMU-PWSUYJOCSA-N 1 0 209.358 3.507 10 0 BHAERO CC[C@H]1CC[NH2+][C@H](c2ccsc2C)C1 ZINC000227852447 346755787 /nfs/dbraw/zinc/75/57/87/346755787.db2.gz QOJGDAGWCRPQMU-JQWIXIFHSA-N 1 0 209.358 3.507 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227867167 259634041 /nfs/dbraw/zinc/63/40/41/259634041.db2.gz GDMUSDXJKGDALY-IACUBPJLSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227867177 388761459 /nfs/dbraw/zinc/76/14/59/388761459.db2.gz GDMUSDXJKGDALY-YUTCNCBUSA-N 1 0 209.377 3.589 10 0 BHAERO Cc1sccc1[C@@H]([NH3+])C1(C)CCCC1 ZINC000227901564 411182016 /nfs/dbraw/zinc/18/20/16/411182016.db2.gz ZUTWZMQODNQLHJ-LLVKDONJSA-N 1 0 209.358 3.637 10 0 BHAERO Cc1sccc1[C@H]([NH3+])C1(C)CCCC1 ZINC000227901567 371954921 /nfs/dbraw/zinc/95/49/21/371954921.db2.gz ZUTWZMQODNQLHJ-NSHDSACASA-N 1 0 209.358 3.637 10 0 BHAERO CC(C)(C)Sc1ccc(C[NH3+])c(Cl)c1 ZINC000227910853 347237279 /nfs/dbraw/zinc/23/72/79/347237279.db2.gz SSMUFIYNZCXOFE-UHFFFAOYSA-N 1 0 229.776 3.689 10 0 BHAERO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000227984997 388764648 /nfs/dbraw/zinc/76/46/48/388764648.db2.gz GXHGLZLUXMDLQX-KBPBESRZSA-N 1 0 249.398 3.571 10 0 BHAERO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000227985004 388764358 /nfs/dbraw/zinc/76/43/58/388764358.db2.gz GXHGLZLUXMDLQX-KGLIPLIRSA-N 1 0 249.398 3.571 10 0 BHAERO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000227985013 388764301 /nfs/dbraw/zinc/76/43/01/388764301.db2.gz GXHGLZLUXMDLQX-UONOGXRCSA-N 1 0 249.398 3.571 10 0 BHAERO CO[C@H](C)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000227985019 259635271 /nfs/dbraw/zinc/63/52/71/259635271.db2.gz GXHGLZLUXMDLQX-ZIAGYGMSSA-N 1 0 249.398 3.571 10 0 BHAERO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000227985396 388764156 /nfs/dbraw/zinc/76/41/56/388764156.db2.gz JHNCZOGGBDYUNT-STQMWFEESA-N 1 0 249.398 3.670 10 0 BHAERO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000227985405 388764024 /nfs/dbraw/zinc/76/40/24/388764024.db2.gz JHNCZOGGBDYUNT-OLZOCXBDSA-N 1 0 249.398 3.670 10 0 BHAERO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000227985413 259635227 /nfs/dbraw/zinc/63/52/27/259635227.db2.gz JHNCZOGGBDYUNT-QWHCGFSZSA-N 1 0 249.398 3.670 10 0 BHAERO CO[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000227985422 388763826 /nfs/dbraw/zinc/76/38/26/388763826.db2.gz JHNCZOGGBDYUNT-CHWSQXEVSA-N 1 0 249.398 3.670 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000228431784 360287342 /nfs/dbraw/zinc/28/73/42/360287342.db2.gz KFLSYJBZUOVYOY-LLVKDONJSA-N 1 0 249.251 3.890 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000228431795 360287518 /nfs/dbraw/zinc/28/75/18/360287518.db2.gz KFLSYJBZUOVYOY-NSHDSACASA-N 1 0 249.251 3.890 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc2cnccc21 ZINC000228559228 491095680 /nfs/dbraw/zinc/09/56/80/491095680.db2.gz LECVMBYRISMBSH-MLGOLLRUSA-N 1 0 240.350 3.513 10 0 BHAERO CC(C)OCCCC[NH2+]CC1CCC(C)CC1 ZINC000228564557 387101561 /nfs/dbraw/zinc/10/15/61/387101561.db2.gz FAGWKEQZYGMTTI-UHFFFAOYSA-N 1 0 241.419 3.608 10 0 BHAERO Cc1cnccc1C[NH2+][C@@H](C)c1ccccc1C ZINC000228659455 386597859 /nfs/dbraw/zinc/59/78/59/386597859.db2.gz LABXOBUIQJPWFP-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Fc1cc([C@@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC000228750811 372076493 /nfs/dbraw/zinc/07/64/93/372076493.db2.gz SRVWHMMKJPHMKI-NSHDSACASA-N 1 0 247.235 3.659 10 0 BHAERO Fc1cc([C@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC000228750827 372076358 /nfs/dbraw/zinc/07/63/58/372076358.db2.gz SRVWHMMKJPHMKI-LLVKDONJSA-N 1 0 247.235 3.659 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228826096 259637266 /nfs/dbraw/zinc/63/72/66/259637266.db2.gz JFJSREOPEPRGBZ-FKFRUQKQSA-N 1 0 247.357 3.850 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228826143 259637203 /nfs/dbraw/zinc/63/72/03/259637203.db2.gz JMDCWMQJSKKMBL-FKFRUQKQSA-N 1 0 247.357 3.850 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000228826265 388774785 /nfs/dbraw/zinc/77/47/85/388774785.db2.gz WYPVQARLQKQYPU-NEQJSVFRSA-N 1 0 247.357 3.850 10 0 BHAERO CC[C@@](C)([NH3+])Cc1cccc(Cl)c1Cl ZINC000228845055 345405369 /nfs/dbraw/zinc/40/53/69/345405369.db2.gz MYWHQVYTAXOBHK-LLVKDONJSA-N 1 0 232.154 3.663 10 0 BHAERO CC[C@](C)([NH3+])Cc1cccc(Cl)c1Cl ZINC000228845064 351433749 /nfs/dbraw/zinc/43/37/49/351433749.db2.gz MYWHQVYTAXOBHK-NSHDSACASA-N 1 0 232.154 3.663 10 0 BHAERO CC(C)(C[NH3+])Cc1cccc(Cl)c1Cl ZINC000228908225 351486794 /nfs/dbraw/zinc/48/67/94/351486794.db2.gz LFGXJHLWRQXHDX-UHFFFAOYSA-N 1 0 232.154 3.521 10 0 BHAERO C[NH2+][C@@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959667 372094759 /nfs/dbraw/zinc/09/47/59/372094759.db2.gz IMXFODKKSUVING-SECBINFHSA-N 1 0 248.178 3.501 10 0 BHAERO C[NH2+][C@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959681 372094740 /nfs/dbraw/zinc/09/47/40/372094740.db2.gz IMXFODKKSUVING-VIFPVBQESA-N 1 0 248.178 3.501 10 0 BHAERO [NH3+][C@@H]1CCSCc2c(Cl)c(Cl)ccc21 ZINC000228959847 372094713 /nfs/dbraw/zinc/09/47/13/372094713.db2.gz HCSUHFWUVSUOFM-SECBINFHSA-N 1 0 248.178 3.630 10 0 BHAERO CC(C)CC[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229265892 259638794 /nfs/dbraw/zinc/63/87/94/259638794.db2.gz UCRSSTYYQOQREQ-AWEZNQCLSA-N 1 0 239.403 3.504 10 0 BHAERO CC(C)CC[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229265903 259308058 /nfs/dbraw/zinc/30/80/58/259308058.db2.gz UCRSSTYYQOQREQ-CQSZACIVSA-N 1 0 239.403 3.504 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cc(C)cc(C)c1 ZINC000229494182 372158218 /nfs/dbraw/zinc/15/82/18/372158218.db2.gz GUDUXDIZWQSFMC-CQSZACIVSA-N 1 0 205.345 3.884 10 0 BHAERO CCCCC[C@H]([NH3+])c1cc(C)cc(C)c1 ZINC000229494195 372158212 /nfs/dbraw/zinc/15/82/12/372158212.db2.gz GUDUXDIZWQSFMC-AWEZNQCLSA-N 1 0 205.345 3.884 10 0 BHAERO CSCCCCC[NH2+]CC1CCC(C)CC1 ZINC000229517598 387174531 /nfs/dbraw/zinc/17/45/31/387174531.db2.gz ZNZRALCWHIXXCT-UHFFFAOYSA-N 1 0 243.460 3.936 10 0 BHAERO CCc1ccc(CNc2cc[nH+]c(C)c2)cc1 ZINC000229534954 384555970 /nfs/dbraw/zinc/55/59/70/384555970.db2.gz JHWRNBBTWSRLII-UHFFFAOYSA-N 1 0 226.323 3.565 10 0 BHAERO Cc1cc(N[C@H](C)c2cccs2)cc[nH+]1 ZINC000229561693 178187952 /nfs/dbraw/zinc/18/79/52/178187952.db2.gz OWFQPSUWGLUUBM-SNVBAGLBSA-N 1 0 218.325 3.625 10 0 BHAERO Cc1cc(N[C@@H](C)c2cccs2)cc[nH+]1 ZINC000229561700 178180476 /nfs/dbraw/zinc/18/04/76/178180476.db2.gz OWFQPSUWGLUUBM-JTQLQIEISA-N 1 0 218.325 3.625 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229563027 388794969 /nfs/dbraw/zinc/79/49/69/388794969.db2.gz VRZXPFYQLSZOHU-AXFHLTTASA-N 1 0 237.309 3.886 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229563046 259641631 /nfs/dbraw/zinc/64/16/31/259641631.db2.gz VRZXPFYQLSZOHU-HBNTYKKESA-N 1 0 237.309 3.886 10 0 BHAERO CCC1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000229564783 259423218 /nfs/dbraw/zinc/42/32/18/259423218.db2.gz LEUSMUFKZDHCDM-UHFFFAOYSA-N 1 0 218.344 3.771 10 0 BHAERO Cc1cc(NCCCCC(F)(F)F)cc[nH+]1 ZINC000229570822 178158056 /nfs/dbraw/zinc/15/80/56/178158056.db2.gz SFWGWEUMXLOHMF-UHFFFAOYSA-N 1 0 232.249 3.535 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(C)C ZINC000229642877 388861706 /nfs/dbraw/zinc/86/17/06/388861706.db2.gz JYPBUUWNYZAIJX-CQSZACIVSA-N 1 0 230.355 3.692 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(C)C ZINC000229642884 388861190 /nfs/dbraw/zinc/86/11/90/388861190.db2.gz JYPBUUWNYZAIJX-AWEZNQCLSA-N 1 0 230.355 3.692 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)C ZINC000229642905 487934848 /nfs/dbraw/zinc/93/48/48/487934848.db2.gz RCJTTXQBVFPACT-CQSZACIVSA-N 1 0 230.355 3.692 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)C ZINC000229642913 487934874 /nfs/dbraw/zinc/93/48/74/487934874.db2.gz RCJTTXQBVFPACT-AWEZNQCLSA-N 1 0 230.355 3.692 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccncc2C)c1 ZINC000229658222 487934791 /nfs/dbraw/zinc/93/47/91/487934791.db2.gz AJMXCEZLWNTERX-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc([C@H](C)[NH2+]Cc2ccncc2C)c1 ZINC000229658229 487934710 /nfs/dbraw/zinc/93/47/10/487934710.db2.gz AJMXCEZLWNTERX-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)s1 ZINC000229824890 355421317 /nfs/dbraw/zinc/42/13/17/355421317.db2.gz RUPCMVMNFMQPTI-BDAKNGLRSA-N 1 0 229.776 3.505 10 0 BHAERO CC[C@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)s1 ZINC000229824897 355421248 /nfs/dbraw/zinc/42/12/48/355421248.db2.gz RUPCMVMNFMQPTI-IUCAKERBSA-N 1 0 229.776 3.505 10 0 BHAERO CC[C@@H]1C[NH2+]CC[C@H]1c1ccc(Cl)s1 ZINC000229824908 355421326 /nfs/dbraw/zinc/42/13/26/355421326.db2.gz RUPCMVMNFMQPTI-RKDXNWHRSA-N 1 0 229.776 3.505 10 0 BHAERO CC[C@H]1C[NH2+]CC[C@H]1c1ccc(Cl)s1 ZINC000229824916 355421402 /nfs/dbraw/zinc/42/14/02/355421402.db2.gz RUPCMVMNFMQPTI-DTWKUNHWSA-N 1 0 229.776 3.505 10 0 BHAERO CC1CCC([NH3+])(c2sccc2Cl)CC1 ZINC000229926662 342855677 /nfs/dbraw/zinc/85/56/77/342855677.db2.gz WLVFNACVTINEPS-UHFFFAOYSA-N 1 0 229.776 3.766 10 0 BHAERO [NH3+]C1(c2sccc2Cl)CCCCCC1 ZINC000229926708 342855636 /nfs/dbraw/zinc/85/56/36/342855636.db2.gz GBMUDKZEWNRCDS-UHFFFAOYSA-N 1 0 229.776 3.910 10 0 BHAERO C[NH2+]Cc1csc(-c2sccc2Cl)c1 ZINC000229945662 342858044 /nfs/dbraw/zinc/85/80/44/342858044.db2.gz BKGVQZWYOWGYDH-UHFFFAOYSA-N 1 0 243.784 3.849 10 0 BHAERO [NH3+]Cc1cc(-c2sccc2Cl)cs1 ZINC000229945750 342858012 /nfs/dbraw/zinc/85/80/12/342858012.db2.gz NZRMABWBNFACNP-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+]Cc1ccc(-c2sccc2Cl)s1 ZINC000229945756 342858062 /nfs/dbraw/zinc/85/80/62/342858062.db2.gz POIAWFAXODFTJH-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+]Cc1sccc1-c1sccc1Cl ZINC000229945860 342858000 /nfs/dbraw/zinc/85/80/00/342858000.db2.gz SPPXPSDJHBVOQX-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+][C@@H]1CCCC[C@@H](c2sccc2Cl)C1 ZINC000229948511 342858330 /nfs/dbraw/zinc/85/83/30/342858330.db2.gz ISKNASQJRFHORQ-RKDXNWHRSA-N 1 0 229.776 3.777 10 0 BHAERO [NH3+][C@H]1CCCC[C@@H](c2sccc2Cl)C1 ZINC000229948516 342858263 /nfs/dbraw/zinc/85/82/63/342858263.db2.gz ISKNASQJRFHORQ-BDAKNGLRSA-N 1 0 229.776 3.777 10 0 BHAERO [NH3+][C@@H]1CCCC[C@H](c2sccc2Cl)C1 ZINC000229948522 342858264 /nfs/dbraw/zinc/85/82/64/342858264.db2.gz ISKNASQJRFHORQ-DTWKUNHWSA-N 1 0 229.776 3.777 10 0 BHAERO [NH3+][C@H]1CCCC[C@H](c2sccc2Cl)C1 ZINC000229948527 342858349 /nfs/dbraw/zinc/85/83/49/342858349.db2.gz ISKNASQJRFHORQ-IUCAKERBSA-N 1 0 229.776 3.777 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CCC23CCCCC3)cc1 ZINC000230159858 353469642 /nfs/dbraw/zinc/46/96/42/353469642.db2.gz JSWFJNKTDMZPBL-OAHLLOKOSA-N 1 0 229.367 3.889 10 0 BHAERO c1ccc(C[NH2+][C@H]2CCC23CCCCC3)cc1 ZINC000230159864 344393725 /nfs/dbraw/zinc/39/37/25/344393725.db2.gz JSWFJNKTDMZPBL-HNNXBMFYSA-N 1 0 229.367 3.889 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)sc1C ZINC000230198082 358396232 /nfs/dbraw/zinc/39/62/32/358396232.db2.gz MVDCVHZEQVIINV-DGCLKSJQSA-N 1 0 223.385 3.643 10 0 BHAERO COCCCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230650270 259323534 /nfs/dbraw/zinc/32/35/34/259323534.db2.gz RPBJPIYNOGLGMN-ZIAGYGMSSA-N 1 0 241.419 3.608 10 0 BHAERO COCCCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230650276 259323197 /nfs/dbraw/zinc/32/31/97/259323197.db2.gz RPBJPIYNOGLGMN-KGLIPLIRSA-N 1 0 241.419 3.608 10 0 BHAERO COCCCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000230650284 259648460 /nfs/dbraw/zinc/64/84/60/259648460.db2.gz RPBJPIYNOGLGMN-UONOGXRCSA-N 1 0 241.419 3.608 10 0 BHAERO COCCCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000230650291 388827345 /nfs/dbraw/zinc/82/73/45/388827345.db2.gz RPBJPIYNOGLGMN-KBPBESRZSA-N 1 0 241.419 3.608 10 0 BHAERO CCCC[C@@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC000230673930 641079885 /nfs/dbraw/zinc/07/98/85/641079885.db2.gz OJTZPSIIIHFLHB-UYSNPLJNSA-N 1 0 247.382 3.685 10 0 BHAERO CCCC[C@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC000230673934 641079699 /nfs/dbraw/zinc/07/96/99/641079699.db2.gz OJTZPSIIIHFLHB-GPANFISMSA-N 1 0 247.382 3.685 10 0 BHAERO COC1CC([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000230674843 388828776 /nfs/dbraw/zinc/82/87/76/388828776.db2.gz WNONYQVLUPYKGS-JQRITLKVSA-N 1 0 247.382 3.638 10 0 BHAERO COC1CC([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000230674846 259323206 /nfs/dbraw/zinc/32/32/06/259323206.db2.gz WNONYQVLUPYKGS-UWTIGNOOSA-N 1 0 247.382 3.638 10 0 BHAERO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230894116 388831756 /nfs/dbraw/zinc/83/17/56/388831756.db2.gz FJVIQBQPAVBKIW-QWHCGFSZSA-N 1 0 238.375 3.850 10 0 BHAERO CCCC[C@H](CC)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230894119 388832434 /nfs/dbraw/zinc/83/24/34/388832434.db2.gz FJVIQBQPAVBKIW-STQMWFEESA-N 1 0 238.375 3.850 10 0 BHAERO CCCC[C@@H](CC)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000230894122 388832481 /nfs/dbraw/zinc/83/24/81/388832481.db2.gz FJVIQBQPAVBKIW-CHWSQXEVSA-N 1 0 238.375 3.850 10 0 BHAERO CCCC[C@H](CC)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000230894125 388832517 /nfs/dbraw/zinc/83/25/17/388832517.db2.gz FJVIQBQPAVBKIW-OLZOCXBDSA-N 1 0 238.375 3.850 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]CC2CCCCCC2)o1 ZINC000231034377 388835097 /nfs/dbraw/zinc/83/50/97/388835097.db2.gz UBEZSMAXAZVRNJ-GFCCVEGCSA-N 1 0 236.359 3.604 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]CC2CCCCCC2)o1 ZINC000231034380 388835157 /nfs/dbraw/zinc/83/51/57/388835157.db2.gz UBEZSMAXAZVRNJ-LBPRGKRZSA-N 1 0 236.359 3.604 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000231526323 353619120 /nfs/dbraw/zinc/61/91/20/353619120.db2.gz YBANBCPPYUKKCQ-VXGBXAGGSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000231526337 353618920 /nfs/dbraw/zinc/61/89/20/353618920.db2.gz YBANBCPPYUKKCQ-NWDGAFQWSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000231526361 353619095 /nfs/dbraw/zinc/61/90/95/353619095.db2.gz YBANBCPPYUKKCQ-NEPJUHHUSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000231526383 353618912 /nfs/dbraw/zinc/61/89/12/353618912.db2.gz YBANBCPPYUKKCQ-RYUDHWBXSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)o1 ZINC000231526592 385803167 /nfs/dbraw/zinc/80/31/67/385803167.db2.gz BFDSDBSKXTTYNK-VXGBXAGGSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)o1 ZINC000231526610 353619007 /nfs/dbraw/zinc/61/90/07/353619007.db2.gz BFDSDBSKXTTYNK-NWDGAFQWSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCC(C)(C)C2)o1 ZINC000231526629 353618595 /nfs/dbraw/zinc/61/85/95/353618595.db2.gz BFDSDBSKXTTYNK-NEPJUHHUSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCC(C)(C)C2)o1 ZINC000231526646 353618759 /nfs/dbraw/zinc/61/87/59/353618759.db2.gz BFDSDBSKXTTYNK-RYUDHWBXSA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231528003 388837726 /nfs/dbraw/zinc/83/77/26/388837726.db2.gz VSMFKJBGNDWCKR-WCFLWFBJSA-N 1 0 238.375 3.848 10 0 BHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231528046 388837698 /nfs/dbraw/zinc/83/76/98/388837698.db2.gz VSMFKJBGNDWCKR-DRZSPHRISA-N 1 0 238.375 3.848 10 0 BHAERO CCCC(CCC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231529441 388838227 /nfs/dbraw/zinc/83/82/27/388838227.db2.gz BCOLXLYKAHGRQM-NSHDSACASA-N 1 0 224.348 3.602 10 0 BHAERO CCCC(CCC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231529462 388837615 /nfs/dbraw/zinc/83/76/15/388837615.db2.gz BCOLXLYKAHGRQM-LLVKDONJSA-N 1 0 224.348 3.602 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C2CCC(C)(C)CC2)o1 ZINC000231530094 357609316 /nfs/dbraw/zinc/60/93/16/357609316.db2.gz UTCDKJXRQQOPBY-LLVKDONJSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]C2CCC(C)(C)CC2)o1 ZINC000231530114 357609398 /nfs/dbraw/zinc/60/93/98/357609398.db2.gz UTCDKJXRQQOPBY-NSHDSACASA-N 1 0 236.359 3.602 10 0 BHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231532405 259327980 /nfs/dbraw/zinc/32/79/80/259327980.db2.gz OQYGSSFOMCMZEG-NWDGAFQWSA-N 1 0 224.348 3.602 10 0 BHAERO CCCC[C@H](CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231532423 259328162 /nfs/dbraw/zinc/32/81/62/259328162.db2.gz OQYGSSFOMCMZEG-RYUDHWBXSA-N 1 0 224.348 3.602 10 0 BHAERO CCCC[C@@H](CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231532441 388837843 /nfs/dbraw/zinc/83/78/43/388837843.db2.gz OQYGSSFOMCMZEG-VXGBXAGGSA-N 1 0 224.348 3.602 10 0 BHAERO CCCC[C@H](CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231532460 388837555 /nfs/dbraw/zinc/83/75/55/388837555.db2.gz OQYGSSFOMCMZEG-NEPJUHHUSA-N 1 0 224.348 3.602 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC(C)C)c1 ZINC000231673428 388839336 /nfs/dbraw/zinc/83/93/36/388839336.db2.gz KNDJVJMRRIWUCR-GDBMZVCRSA-N 1 0 247.382 3.752 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000231673847 358418625 /nfs/dbraw/zinc/41/86/25/358418625.db2.gz NLHSSFIUXLNMAW-MLGOLLRUSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000231675637 388840199 /nfs/dbraw/zinc/84/01/99/388840199.db2.gz VONJOXIPOHAVKH-GDBMZVCRSA-N 1 0 247.382 3.752 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000231675900 388839344 /nfs/dbraw/zinc/83/93/44/388839344.db2.gz LEDYZGIEZQPOBA-CZUORRHYSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000231676000 388838712 /nfs/dbraw/zinc/83/87/12/388838712.db2.gz OHZJFEOWZXXKCD-UKRRQHHQSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(CC)s1 ZINC000231676127 358418676 /nfs/dbraw/zinc/41/86/76/358418676.db2.gz KNBUFVGGSBRHLL-ZWNOBZJWSA-N 1 0 223.385 3.589 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)CC2)o1 ZINC000231739382 487472219 /nfs/dbraw/zinc/47/22/19/487472219.db2.gz RRVOMZZEKGBFHD-KGYLQXTDSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)CC2)o1 ZINC000231739386 487472184 /nfs/dbraw/zinc/47/21/84/487472184.db2.gz RRVOMZZEKGBFHD-WXHSDQCUSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)C(C)C ZINC000231745847 388841483 /nfs/dbraw/zinc/84/14/83/388841483.db2.gz FYIVRBBBXLFMOP-NSHDSACASA-N 1 0 225.763 3.783 10 0 BHAERO Cc1cc(Cl)ccc1C[NH2+][C@H](C)C(C)C ZINC000231745850 487750839 /nfs/dbraw/zinc/75/08/39/487750839.db2.gz FYIVRBBBXLFMOP-LLVKDONJSA-N 1 0 225.763 3.783 10 0 BHAERO CCCCC[C@@H]([NH3+])c1ccc(C)c(F)c1F ZINC000231748322 397935725 /nfs/dbraw/zinc/93/57/25/397935725.db2.gz HRYBTPARLCSMBN-LLVKDONJSA-N 1 0 227.298 3.853 10 0 BHAERO CCCCC[C@H]([NH3+])c1ccc(C)c(F)c1F ZINC000231748325 397936106 /nfs/dbraw/zinc/93/61/06/397936106.db2.gz HRYBTPARLCSMBN-NSHDSACASA-N 1 0 227.298 3.853 10 0 BHAERO C/C(=C\c1ccc(Cl)cc1Cl)[C@@H](C)[NH3+] ZINC000231752843 351304593 /nfs/dbraw/zinc/30/45/93/351304593.db2.gz LVQHZRYMUJZEFS-WVXIBAHESA-N 1 0 230.138 3.744 10 0 BHAERO C/C(=C\c1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000231752846 351304374 /nfs/dbraw/zinc/30/43/74/351304374.db2.gz LVQHZRYMUJZEFS-IVGLGHLBSA-N 1 0 230.138 3.744 10 0 BHAERO C[NH2+][C@@H](C)/C=C/c1c(Cl)cccc1Cl ZINC000231756189 351306250 /nfs/dbraw/zinc/30/62/50/351306250.db2.gz YBFKTTQZVNTAIV-CZEYKFRCSA-N 1 0 230.138 3.615 10 0 BHAERO C[NH2+][C@H](C)/C=C/c1c(Cl)cccc1Cl ZINC000231756191 351306223 /nfs/dbraw/zinc/30/62/23/351306223.db2.gz YBFKTTQZVNTAIV-HYDMIIDASA-N 1 0 230.138 3.615 10 0 BHAERO CCCC(=[NH2+])Nc1cc(F)ccc1Cl ZINC000231835390 351399863 /nfs/dbraw/zinc/39/98/63/351399863.db2.gz IELGQEXRWHEHPK-UHFFFAOYSA-N 1 0 214.671 3.668 10 0 BHAERO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901018 641216361 /nfs/dbraw/zinc/21/63/61/641216361.db2.gz YUNZDWDOAXZANJ-PWSUYJOCSA-N 1 0 224.348 3.602 10 0 BHAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901020 641216209 /nfs/dbraw/zinc/21/62/09/641216209.db2.gz YUNZDWDOAXZANJ-JQWIXIFHSA-N 1 0 224.348 3.602 10 0 BHAERO CCCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901022 641218119 /nfs/dbraw/zinc/21/81/19/641218119.db2.gz YUNZDWDOAXZANJ-ZYHUDNBSSA-N 1 0 224.348 3.602 10 0 BHAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901025 641218107 /nfs/dbraw/zinc/21/81/07/641218107.db2.gz YUNZDWDOAXZANJ-CMPLNLGQSA-N 1 0 224.348 3.602 10 0 BHAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901114 641217767 /nfs/dbraw/zinc/21/77/67/641217767.db2.gz FRWVFHLZRFFEQJ-YPMHNXCESA-N 1 0 238.375 3.993 10 0 BHAERO CCCCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901116 641216992 /nfs/dbraw/zinc/21/69/92/641216992.db2.gz FRWVFHLZRFFEQJ-AAEUAGOBSA-N 1 0 238.375 3.993 10 0 BHAERO CCCCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901120 641216520 /nfs/dbraw/zinc/21/65/20/641216520.db2.gz FRWVFHLZRFFEQJ-DGCLKSJQSA-N 1 0 238.375 3.993 10 0 BHAERO CCCCCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901124 641216911 /nfs/dbraw/zinc/21/69/11/641216911.db2.gz FRWVFHLZRFFEQJ-WCQYABFASA-N 1 0 238.375 3.993 10 0 BHAERO C/C(=C\Cl)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000231997638 351501895 /nfs/dbraw/zinc/50/18/95/351501895.db2.gz HKABBXCRFDYVHJ-CRCQRKMMSA-N 1 0 215.768 3.543 10 0 BHAERO C/C(=C\Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000231999823 351501910 /nfs/dbraw/zinc/50/19/10/351501910.db2.gz SRQNKBJHQSAIDC-FZSIYXEYSA-N 1 0 215.768 3.543 10 0 BHAERO CCC(=[NH2+])Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232054548 351605970 /nfs/dbraw/zinc/60/59/70/351605970.db2.gz PAPWZMZSYWZQOF-UHFFFAOYSA-N 1 0 235.089 3.932 10 0 BHAERO Cc1cc([N+]#N)cc(C)c1Br ZINC000232060313 351613491 /nfs/dbraw/zinc/61/34/91/351613491.db2.gz MTQAYQAJFIVBFJ-UHFFFAOYSA-N 1 0 212.070 3.551 10 0 BHAERO CCCC(=[NH2+])Nc1ccccc1SC ZINC000232278248 398164518 /nfs/dbraw/zinc/16/45/18/398164518.db2.gz RAPBJMYVEBBQFK-UHFFFAOYSA-N 1 0 208.330 3.598 10 0 BHAERO CC(C)C1CC([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000232551386 388852489 /nfs/dbraw/zinc/85/24/89/388852489.db2.gz QXEAKEOFDQVICV-SSDMNJCBSA-N 1 0 245.366 3.534 10 0 BHAERO CC(C)C1CC([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000232551502 388852420 /nfs/dbraw/zinc/85/24/20/388852420.db2.gz QXEAKEOFDQVICV-PIMMBPRGSA-N 1 0 245.366 3.534 10 0 BHAERO CC(C)=C[C@@H]([NH3+])c1scc(C)c1Cl ZINC000232559476 353129951 /nfs/dbraw/zinc/12/99/51/353129951.db2.gz USZQSKBWDKJECV-MRVPVSSYSA-N 1 0 215.749 3.676 10 0 BHAERO CC(C)=C[C@H]([NH3+])c1scc(C)c1Cl ZINC000232566808 353134622 /nfs/dbraw/zinc/13/46/22/353134622.db2.gz USZQSKBWDKJECV-QMMMGPOBSA-N 1 0 215.749 3.676 10 0 BHAERO CC(C)CCSCC[NH2+]Cc1ccccc1 ZINC000232592454 353737880 /nfs/dbraw/zinc/73/78/80/353737880.db2.gz VHUFUKYRYWVMOT-UHFFFAOYSA-N 1 0 237.412 3.556 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)C(C)C)cc1Cl ZINC000232696905 259657083 /nfs/dbraw/zinc/65/70/83/259657083.db2.gz LHTOZVKGHOFGRY-LLVKDONJSA-N 1 0 225.763 3.783 10 0 BHAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000232704510 388855913 /nfs/dbraw/zinc/85/59/13/388855913.db2.gz UEMRYBUARGJRON-FPMFFAJLSA-N 1 0 209.377 3.613 10 0 BHAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000232705243 388855795 /nfs/dbraw/zinc/85/57/95/388855795.db2.gz UEMRYBUARGJRON-UBHSHLNASA-N 1 0 209.377 3.613 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)C(C)C)cc1Cl ZINC000232705842 259657416 /nfs/dbraw/zinc/65/74/16/259657416.db2.gz LHTOZVKGHOFGRY-NSHDSACASA-N 1 0 225.763 3.783 10 0 BHAERO CCCCC[C@@H]([NH3+])c1cc(F)c(F)cc1F ZINC000232971638 350670663 /nfs/dbraw/zinc/67/06/63/350670663.db2.gz LGQLQLHNFKPRLE-GFCCVEGCSA-N 1 0 231.261 3.684 10 0 BHAERO CCC(C)(C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000232985232 388860464 /nfs/dbraw/zinc/86/04/64/388860464.db2.gz RGYOIUOQPBTXMK-CQSZACIVSA-N 1 0 217.356 3.700 10 0 BHAERO CCC(C)(C)C[NH2+][C@H]1CCc2ccccc21 ZINC000233003416 259659696 /nfs/dbraw/zinc/65/96/96/259659696.db2.gz RGYOIUOQPBTXMK-AWEZNQCLSA-N 1 0 217.356 3.700 10 0 BHAERO CC1(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCC1 ZINC000233019290 342894742 /nfs/dbraw/zinc/89/47/42/342894742.db2.gz XWSQEHIOZGDRIX-WDEREUQCSA-N 1 0 249.320 3.887 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000233307219 342901146 /nfs/dbraw/zinc/90/11/46/342901146.db2.gz CNMVXZAHUFOFNM-CHWSQXEVSA-N 1 0 239.309 3.902 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233309750 357712202 /nfs/dbraw/zinc/71/22/02/357712202.db2.gz KACOTARZBYIQHR-DAXOMENPSA-N 1 0 245.366 3.548 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000233408226 342905081 /nfs/dbraw/zinc/90/50/81/342905081.db2.gz CNMVXZAHUFOFNM-QWHCGFSZSA-N 1 0 239.309 3.902 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000233414326 342904951 /nfs/dbraw/zinc/90/49/51/342904951.db2.gz CNMVXZAHUFOFNM-STQMWFEESA-N 1 0 239.309 3.902 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(C)C ZINC000233889863 535809083 /nfs/dbraw/zinc/80/90/83/535809083.db2.gz WTIOYKFBMSJLGC-CVEARBPZSA-N 1 0 247.382 3.794 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(C)C ZINC000233902099 357761819 /nfs/dbraw/zinc/76/18/19/357761819.db2.gz WTIOYKFBMSJLGC-HZPDHXFCSA-N 1 0 247.382 3.794 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(C)C ZINC000234036675 357768472 /nfs/dbraw/zinc/76/84/72/357768472.db2.gz WTIOYKFBMSJLGC-JKSUJKDBSA-N 1 0 247.382 3.794 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(C)C ZINC000234041983 357769479 /nfs/dbraw/zinc/76/94/79/357769479.db2.gz WTIOYKFBMSJLGC-HOTGVXAUSA-N 1 0 247.382 3.794 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc2cnccc2c1)C(C)C ZINC000234049752 566366021 /nfs/dbraw/zinc/36/60/21/566366021.db2.gz HZGGBDRLBIIZRP-INIZCTEOSA-N 1 0 242.366 3.759 10 0 BHAERO C[NH2+]C1CC(c2cc(Cl)sc2Cl)C1 ZINC000234367702 343954389 /nfs/dbraw/zinc/95/43/89/343954389.db2.gz UJEHMOOXLDJINN-UHFFFAOYSA-N 1 0 236.167 3.520 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)cc1C)C(C)C ZINC000234406888 343963824 /nfs/dbraw/zinc/96/38/24/343963824.db2.gz IBLRGZJPGCRLNR-LBPRGKRZSA-N 1 0 211.736 3.565 10 0 BHAERO C[NH2+][C@@H](C=C(C)C)c1scc(C)c1Cl ZINC000234430152 343965586 /nfs/dbraw/zinc/96/55/86/343965586.db2.gz ZWCNYKSRMHPNEG-VIFPVBQESA-N 1 0 229.776 3.937 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CC1(C)C ZINC000234435993 343967164 /nfs/dbraw/zinc/96/71/64/343967164.db2.gz OXXWPTIPTNIHCU-XCBNKYQSSA-N 1 0 229.776 3.708 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)cc1C)C(C)C ZINC000234461840 343971467 /nfs/dbraw/zinc/97/14/67/343971467.db2.gz IBLRGZJPGCRLNR-GFCCVEGCSA-N 1 0 211.736 3.565 10 0 BHAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000234499680 384192529 /nfs/dbraw/zinc/19/25/29/384192529.db2.gz OXXWPTIPTNIHCU-OIBJUYFYSA-N 1 0 229.776 3.708 10 0 BHAERO COC[C@@H]([NH2+]CC(C)(C)C(C)C)c1ccccc1 ZINC000234687914 259339057 /nfs/dbraw/zinc/33/90/57/259339057.db2.gz USAYMHJJAMQEGC-OAHLLOKOSA-N 1 0 249.398 3.646 10 0 BHAERO COC[C@@H]([NH2+]CC1(C)CCCC1)c1ccccc1 ZINC000234689716 259339027 /nfs/dbraw/zinc/33/90/27/259339027.db2.gz KJAFSEWAYJXNAJ-OAHLLOKOSA-N 1 0 247.382 3.544 10 0 BHAERO Cc1ccc(F)cc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000235183889 632459566 /nfs/dbraw/zinc/45/95/66/632459566.db2.gz GIQXZZZJWUYHHG-GFCCVEGCSA-N 1 0 243.325 3.691 10 0 BHAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)s1 ZINC000235184547 487931304 /nfs/dbraw/zinc/93/13/04/487931304.db2.gz ZHICOACLGAVPRW-SNVBAGLBSA-N 1 0 231.364 3.613 10 0 BHAERO Cc1cc(-c2ccc(C[C@@H](C)[NH3+])cc2)cs1 ZINC000235186727 487930490 /nfs/dbraw/zinc/93/04/90/487930490.db2.gz PHNSDKWDPPUCTH-SNVBAGLBSA-N 1 0 231.364 3.613 10 0 BHAERO Cc1ccsc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000235186962 487930505 /nfs/dbraw/zinc/93/05/05/487930505.db2.gz YHPAPJGCGHYTSH-LLVKDONJSA-N 1 0 231.364 3.613 10 0 BHAERO Cc1ccc(C[NH2+][C@H](C)C2CC2)cc1Cl ZINC000235223626 259672111 /nfs/dbraw/zinc/67/21/11/259672111.db2.gz VRIMABROLKWQPH-SNVBAGLBSA-N 1 0 223.747 3.537 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000235231675 259672501 /nfs/dbraw/zinc/67/25/01/259672501.db2.gz CMWHRJFBGQEUOL-KWCYVHTRSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1[C@H]([NH3+])C[C@@H]1c1cc(Cl)sc1Cl ZINC000235296393 344875512 /nfs/dbraw/zinc/87/55/12/344875512.db2.gz LEEZRIHCYYFPTG-KZLJYQGOSA-N 1 0 236.167 3.506 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000235300438 344876286 /nfs/dbraw/zinc/87/62/86/344876286.db2.gz GFESGOBHEOEXKE-OCCSQVGLSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000235306662 344880425 /nfs/dbraw/zinc/88/04/25/344880425.db2.gz GFESGOBHEOEXKE-TZMCWYRMSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000235310652 388367444 /nfs/dbraw/zinc/36/74/44/388367444.db2.gz CMWHRJFBGQEUOL-MRVWCRGKSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1cc(Cl)sc1Cl ZINC000235323027 344886560 /nfs/dbraw/zinc/88/65/60/344886560.db2.gz LEEZRIHCYYFPTG-VPLCAKHXSA-N 1 0 236.167 3.506 10 0 BHAERO Cc1ccc(F)cc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000235504790 635578748 /nfs/dbraw/zinc/57/87/48/635578748.db2.gz GIQXZZZJWUYHHG-LBPRGKRZSA-N 1 0 243.325 3.691 10 0 BHAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)s1 ZINC000235505033 487974945 /nfs/dbraw/zinc/97/49/45/487974945.db2.gz ZHICOACLGAVPRW-JTQLQIEISA-N 1 0 231.364 3.613 10 0 BHAERO Cc1cc(-c2ccc(C[C@H](C)[NH3+])cc2)cs1 ZINC000235505874 487975337 /nfs/dbraw/zinc/97/53/37/487975337.db2.gz PHNSDKWDPPUCTH-JTQLQIEISA-N 1 0 231.364 3.613 10 0 BHAERO Cc1ccsc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000235505934 487975378 /nfs/dbraw/zinc/97/53/78/487975378.db2.gz YHPAPJGCGHYTSH-NSHDSACASA-N 1 0 231.364 3.613 10 0 BHAERO Cc1ccc(C[NH2+][C@@H](C)C2CC2)cc1Cl ZINC000235521590 259674057 /nfs/dbraw/zinc/67/40/57/259674057.db2.gz VRIMABROLKWQPH-JTQLQIEISA-N 1 0 223.747 3.537 10 0 BHAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000235538195 344933867 /nfs/dbraw/zinc/93/38/67/344933867.db2.gz GFESGOBHEOEXKE-JSGCOSHPSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000235579372 344947789 /nfs/dbraw/zinc/94/77/89/344947789.db2.gz GFESGOBHEOEXKE-GXTWGEPZSA-N 1 0 217.356 3.601 10 0 BHAERO Cc1ccsc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235782434 488014078 /nfs/dbraw/zinc/01/40/78/488014078.db2.gz ZGWNXPJJMYJFLF-ZDUSSCGKSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccsc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235782465 488014519 /nfs/dbraw/zinc/01/45/19/488014519.db2.gz ZGWNXPJJMYJFLF-CYBMUJFWSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccsc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000235782548 488014367 /nfs/dbraw/zinc/01/43/67/488014367.db2.gz QMHPNYCMYBETEP-ZDUSSCGKSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccsc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000235782577 488014020 /nfs/dbraw/zinc/01/40/20/488014020.db2.gz QMHPNYCMYBETEP-CYBMUJFWSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1csc([C@@H]([NH3+])C(C)(C)C)c1Cl ZINC000235794289 345904682 /nfs/dbraw/zinc/90/46/82/345904682.db2.gz GEYPUMNJDQLLCR-SECBINFHSA-N 1 0 217.765 3.756 10 0 BHAERO Cc1csc([C@H]([NH3+])C(C)(C)C)c1Cl ZINC000235795968 345904886 /nfs/dbraw/zinc/90/48/86/345904886.db2.gz GEYPUMNJDQLLCR-VIFPVBQESA-N 1 0 217.765 3.756 10 0 BHAERO Cc1ccccc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235808774 488140238 /nfs/dbraw/zinc/14/02/38/488140238.db2.gz GGQOWKBAUAVWQT-INIZCTEOSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccccc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235808787 488016953 /nfs/dbraw/zinc/01/69/53/488016953.db2.gz GGQOWKBAUAVWQT-MRXNPFEDSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000235808840 488017079 /nfs/dbraw/zinc/01/70/79/488017079.db2.gz KESPWSSEGDVBFL-INIZCTEOSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000235808849 488016987 /nfs/dbraw/zinc/01/69/87/488016987.db2.gz KESPWSSEGDVBFL-MRXNPFEDSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccc(F)cc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235821140 635586263 /nfs/dbraw/zinc/58/62/63/635586263.db2.gz BWZYDZBWKDSWFK-INIZCTEOSA-N 1 0 241.309 3.747 10 0 BHAERO Cc1ccc(F)cc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235821168 711669562 /nfs/dbraw/zinc/66/95/62/711669562.db2.gz BWZYDZBWKDSWFK-MRXNPFEDSA-N 1 0 241.309 3.747 10 0 BHAERO Cc1ccc(F)cc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000235821268 711669565 /nfs/dbraw/zinc/66/95/65/711669565.db2.gz YHSWYRWSXCPQFN-INIZCTEOSA-N 1 0 241.309 3.747 10 0 BHAERO Cc1ccc(F)cc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000235821300 711669441 /nfs/dbraw/zinc/66/94/41/711669441.db2.gz YHSWYRWSXCPQFN-MRXNPFEDSA-N 1 0 241.309 3.747 10 0 BHAERO Cc1csc([C@@H]([NH3+])C2CCC2)c1Cl ZINC000235937740 346172374 /nfs/dbraw/zinc/17/23/74/346172374.db2.gz OSHWQMGOEUVJSD-VIFPVBQESA-N 1 0 215.749 3.510 10 0 BHAERO Cc1csc([C@@H]([NH3+])c2cccs2)c1Cl ZINC000235940801 346173628 /nfs/dbraw/zinc/17/36/28/346173628.db2.gz RZDMNOLZYPIUSN-VIFPVBQESA-N 1 0 243.784 3.820 10 0 BHAERO Cc1csc([C@H]([NH3+])C2CCC2)c1Cl ZINC000235950449 346173976 /nfs/dbraw/zinc/17/39/76/346173976.db2.gz OSHWQMGOEUVJSD-SECBINFHSA-N 1 0 215.749 3.510 10 0 BHAERO Cc1csc([C@H]([NH3+])c2cccs2)c1Cl ZINC000235952741 346175052 /nfs/dbraw/zinc/17/50/52/346175052.db2.gz RZDMNOLZYPIUSN-SECBINFHSA-N 1 0 243.784 3.820 10 0 BHAERO Cc1cc(-c2ccc3c(c2)CC[C@@H]3[NH3+])cs1 ZINC000235975671 490184845 /nfs/dbraw/zinc/18/48/45/490184845.db2.gz MNIHZQNQINJPIN-AWEZNQCLSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1cc(-c2ccc3c(c2)CC[C@H]3[NH3+])cs1 ZINC000235975718 490184658 /nfs/dbraw/zinc/18/46/58/490184658.db2.gz MNIHZQNQINJPIN-CQSZACIVSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1cc(-c2cccc3c2CC[C@@H]3[NH3+])cs1 ZINC000235976175 490185124 /nfs/dbraw/zinc/18/51/24/490185124.db2.gz TUAKXHKXSRNZSH-AWEZNQCLSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1cc(-c2cccc3c2CC[C@H]3[NH3+])cs1 ZINC000235976230 490184670 /nfs/dbraw/zinc/18/46/70/490184670.db2.gz TUAKXHKXSRNZSH-CQSZACIVSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])cc1 ZINC000235999450 490187115 /nfs/dbraw/zinc/18/71/15/490187115.db2.gz POLWOGKULLCHMG-INIZCTEOSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])s1 ZINC000235999518 490187242 /nfs/dbraw/zinc/18/72/42/490187242.db2.gz WNDMHZNCTGGHJV-ZDUSSCGKSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccc(-c2ccc3c(c2)CC[C@H]3[NH3+])cc1 ZINC000235999550 490187379 /nfs/dbraw/zinc/18/73/79/490187379.db2.gz POLWOGKULLCHMG-MRXNPFEDSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccc(-c2ccc3c(c2)CC[C@H]3[NH3+])s1 ZINC000235999587 490187203 /nfs/dbraw/zinc/18/72/03/490187203.db2.gz WNDMHZNCTGGHJV-CYBMUJFWSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])cc1 ZINC000235999893 490187081 /nfs/dbraw/zinc/18/70/81/490187081.db2.gz PFOLNVNOWQHRPP-INIZCTEOSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])s1 ZINC000235999962 490187093 /nfs/dbraw/zinc/18/70/93/490187093.db2.gz JPTYCNPCNSBPNS-ZDUSSCGKSA-N 1 0 229.348 3.670 10 0 BHAERO Cc1ccc(-c2cccc3c2CC[C@H]3[NH3+])cc1 ZINC000236000000 490187249 /nfs/dbraw/zinc/18/72/49/490187249.db2.gz PFOLNVNOWQHRPP-MRXNPFEDSA-N 1 0 223.319 3.608 10 0 BHAERO Cc1ccc(-c2cccc3c2CC[C@H]3[NH3+])s1 ZINC000236000043 490187227 /nfs/dbraw/zinc/18/72/27/490187227.db2.gz JPTYCNPCNSBPNS-CYBMUJFWSA-N 1 0 229.348 3.670 10 0 BHAERO Fc1cc([C@@H]2CCCCC[NH2+]2)ccc1Cl ZINC000236230729 632902063 /nfs/dbraw/zinc/90/20/63/632902063.db2.gz KKOXXWQOAISZFZ-LBPRGKRZSA-N 1 0 227.710 3.684 10 0 BHAERO Fc1cc([C@H]2CCCCC[NH2+]2)ccc1Cl ZINC000236242271 632904631 /nfs/dbraw/zinc/90/46/31/632904631.db2.gz KKOXXWQOAISZFZ-GFCCVEGCSA-N 1 0 227.710 3.684 10 0 BHAERO CC(C)=CC[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000237416494 187982213 /nfs/dbraw/zinc/98/22/13/187982213.db2.gz NQMAKOYDORXRLV-OAHLLOKOSA-N 1 0 247.382 3.710 10 0 BHAERO CC(C)=CC[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000237576997 188328658 /nfs/dbraw/zinc/32/86/58/188328658.db2.gz NQMAKOYDORXRLV-HNNXBMFYSA-N 1 0 247.382 3.710 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C(F)F)cc1 ZINC000238138735 487664833 /nfs/dbraw/zinc/66/48/33/487664833.db2.gz RNCNELZUUNXHAD-JTQLQIEISA-N 1 0 213.271 3.670 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000238140718 344977832 /nfs/dbraw/zinc/97/78/32/344977832.db2.gz UVIUYZUSAPEBMF-LLVKDONJSA-N 1 0 215.699 3.525 10 0 BHAERO CC(C)([NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000238151672 487664756 /nfs/dbraw/zinc/66/47/56/487664756.db2.gz YCEVJRFOAFNFEF-UHFFFAOYSA-N 1 0 237.652 3.553 10 0 BHAERO CC(C)([NH3+])c1ccc(C(F)(F)F)cc1Cl ZINC000238151710 487664788 /nfs/dbraw/zinc/66/47/88/487664788.db2.gz SHWMSWIJZKDREU-UHFFFAOYSA-N 1 0 237.652 3.553 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000238193773 344984122 /nfs/dbraw/zinc/98/41/22/344984122.db2.gz UVIUYZUSAPEBMF-NSHDSACASA-N 1 0 215.699 3.525 10 0 BHAERO CC1(C)CCC(c2c[nH]c3ccccc23)=[NH+]1 ZINC000238215558 343252631 /nfs/dbraw/zinc/25/26/31/343252631.db2.gz UYCRSUUWLVMVHB-UHFFFAOYSA-N 1 0 212.296 3.529 10 0 BHAERO CC[C@@H]([NH3+])c1c(Cl)cccc1Br ZINC000238267972 345005063 /nfs/dbraw/zinc/00/50/63/345005063.db2.gz AVBABTNTEZEXOD-MRVPVSSYSA-N 1 0 248.551 3.512 10 0 BHAERO CC[C@H]([NH3+])c1c(Cl)cccc1Br ZINC000238308588 345019654 /nfs/dbraw/zinc/01/96/54/345019654.db2.gz AVBABTNTEZEXOD-QMMMGPOBSA-N 1 0 248.551 3.512 10 0 BHAERO C[C@@H]([NH2+]C1CC1)c1cccc2ccsc21 ZINC000238375075 343255766 /nfs/dbraw/zinc/25/57/66/343255766.db2.gz AMDBJBPLWWRHCK-SECBINFHSA-N 1 0 217.337 3.714 10 0 BHAERO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1 ZINC000238396309 345039010 /nfs/dbraw/zinc/03/90/10/345039010.db2.gz SIBQZRQFSMRAIA-HIFRSBDPSA-N 1 0 217.356 3.745 10 0 BHAERO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000238429478 384655232 /nfs/dbraw/zinc/65/52/32/384655232.db2.gz SIBQZRQFSMRAIA-DZGCQCFKSA-N 1 0 217.356 3.745 10 0 BHAERO C[C@H]([NH2+]C1CC1)c1cccc2ccsc21 ZINC000238433579 343257311 /nfs/dbraw/zinc/25/73/11/343257311.db2.gz AMDBJBPLWWRHCK-VIFPVBQESA-N 1 0 217.337 3.714 10 0 BHAERO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1 ZINC000238438870 384661258 /nfs/dbraw/zinc/66/12/58/384661258.db2.gz SIBQZRQFSMRAIA-ZFWWWQNUSA-N 1 0 217.356 3.745 10 0 BHAERO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000238460993 345052784 /nfs/dbraw/zinc/05/27/84/345052784.db2.gz SIBQZRQFSMRAIA-UKRRQHHQSA-N 1 0 217.356 3.745 10 0 BHAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1Cl ZINC000238566736 345079905 /nfs/dbraw/zinc/07/99/05/345079905.db2.gz FVEVWPWAVPIJJT-KOLCDFICSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H](CF)c1c(Cl)ccc(Cl)c1Cl ZINC000238571595 345080502 /nfs/dbraw/zinc/08/05/02/345080502.db2.gz JMHNURJWSVLTML-LURJTMIESA-N 1 0 242.508 3.616 10 0 BHAERO [NH3+][C@@H](CF)c1cc(Cl)cc(Cl)c1Cl ZINC000238572686 345080565 /nfs/dbraw/zinc/08/05/65/345080565.db2.gz NNFZYALMQSIKTN-ZETCQYMHSA-N 1 0 242.508 3.616 10 0 BHAERO [NH3+][C@H]1CCC[C@H]1c1ccc(Cl)cc1Cl ZINC000238575539 361157171 /nfs/dbraw/zinc/15/71/71/361157171.db2.gz FVEVWPWAVPIJJT-ONGXEEELSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1Cl ZINC000238585906 345083047 /nfs/dbraw/zinc/08/30/47/345083047.db2.gz FVEVWPWAVPIJJT-MWLCHTKSSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1Cl ZINC000238594073 345085817 /nfs/dbraw/zinc/08/58/17/345085817.db2.gz FVEVWPWAVPIJJT-GXSJLCMTSA-N 1 0 230.138 3.588 10 0 BHAERO [NH3+][C@H](CF)c1c(Cl)ccc(Cl)c1Cl ZINC000238683225 361178076 /nfs/dbraw/zinc/17/80/76/361178076.db2.gz JMHNURJWSVLTML-ZCFIWIBFSA-N 1 0 242.508 3.616 10 0 BHAERO [NH3+][C@H](CF)c1cc(Cl)cc(Cl)c1Cl ZINC000238683928 345109186 /nfs/dbraw/zinc/10/91/86/345109186.db2.gz NNFZYALMQSIKTN-SSDOTTSWSA-N 1 0 242.508 3.616 10 0 BHAERO CCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C[C@H]1C ZINC000242575060 520597470 /nfs/dbraw/zinc/59/74/70/520597470.db2.gz NQMGQYQWYURUAR-GDBMZVCRSA-N 1 0 246.398 3.752 10 0 BHAERO CCCC[N@@H+]1CC[C@H](Nc2ccccc2)C[C@H]1C ZINC000242575061 520596740 /nfs/dbraw/zinc/59/67/40/520596740.db2.gz NQMGQYQWYURUAR-ZBFHGGJFSA-N 1 0 246.398 3.752 10 0 BHAERO FC(F)(F)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245509966 388585360 /nfs/dbraw/zinc/58/53/60/388585360.db2.gz VNTPGUNXRNZMRN-NEPJUHHUSA-N 1 0 247.304 3.617 10 0 BHAERO FC(F)(F)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245509967 388585528 /nfs/dbraw/zinc/58/55/28/388585528.db2.gz VNTPGUNXRNZMRN-VXGBXAGGSA-N 1 0 247.304 3.617 10 0 BHAERO c1coc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000245738266 387980831 /nfs/dbraw/zinc/98/08/31/387980831.db2.gz LGFYXBPZLPOPGZ-KGLIPLIRSA-N 1 0 231.339 3.773 10 0 BHAERO c1coc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000245738268 387979928 /nfs/dbraw/zinc/97/99/28/387979928.db2.gz LGFYXBPZLPOPGZ-ZIAGYGMSSA-N 1 0 231.339 3.773 10 0 BHAERO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000245871205 387991169 /nfs/dbraw/zinc/99/11/69/387991169.db2.gz OLYZRMYPPLTILO-NEPJUHHUSA-N 1 0 238.400 3.716 10 0 BHAERO CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000245871210 387991136 /nfs/dbraw/zinc/99/11/36/387991136.db2.gz OLYZRMYPPLTILO-RYUDHWBXSA-N 1 0 238.400 3.716 10 0 BHAERO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246129602 388618930 /nfs/dbraw/zinc/61/89/30/388618930.db2.gz MEGUZIAFUYMGNN-GXTWGEPZSA-N 1 0 235.396 3.575 10 0 BHAERO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246129617 388618827 /nfs/dbraw/zinc/61/88/27/388618827.db2.gz MEGUZIAFUYMGNN-JSGCOSHPSA-N 1 0 235.396 3.575 10 0 BHAERO c1csc([C@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)n1 ZINC000246251122 388024750 /nfs/dbraw/zinc/02/47/50/388024750.db2.gz LIZHKHCFJCQBHU-CHWSQXEVSA-N 1 0 248.395 3.779 10 0 BHAERO c1csc([C@@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)n1 ZINC000246251127 388024069 /nfs/dbraw/zinc/02/40/69/388024069.db2.gz LIZHKHCFJCQBHU-OLZOCXBDSA-N 1 0 248.395 3.779 10 0 BHAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246498778 388639858 /nfs/dbraw/zinc/63/98/58/388639858.db2.gz ZALZCQKEIKBVRK-JSGCOSHPSA-N 1 0 242.322 3.573 10 0 BHAERO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246498783 388640338 /nfs/dbraw/zinc/64/03/38/388640338.db2.gz ZALZCQKEIKBVRK-OCCSQVGLSA-N 1 0 242.322 3.573 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1C[C@H]1C)CCCO2 ZINC000246837489 359168963 /nfs/dbraw/zinc/16/89/63/359168963.db2.gz ATIINSDTQIRREM-BPLDGKMQSA-N 1 0 245.366 3.515 10 0 BHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1C[C@H]1C)CCCO2 ZINC000246837510 359169013 /nfs/dbraw/zinc/16/90/13/359169013.db2.gz ATIINSDTQIRREM-YUELXQCFSA-N 1 0 245.366 3.515 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000247058452 325585551 /nfs/dbraw/zinc/58/55/51/325585551.db2.gz PJJWYEXGTUQZRU-HRDYMLBCSA-N 1 0 229.776 3.851 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000247058460 388658949 /nfs/dbraw/zinc/65/89/49/388658949.db2.gz PJJWYEXGTUQZRU-VGMNWLOBSA-N 1 0 229.776 3.851 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000247068933 359192345 /nfs/dbraw/zinc/19/23/45/359192345.db2.gz QAOORBBGXFXDGZ-BYCMXARLSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000247068951 359192943 /nfs/dbraw/zinc/19/29/43/359192943.db2.gz QAOORBBGXFXDGZ-UGFHNGPFSA-N 1 0 233.355 3.534 10 0 BHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000247159325 359197924 /nfs/dbraw/zinc/19/79/24/359197924.db2.gz XTMUVFBESAEHFN-WCABBAIRSA-N 1 0 238.400 3.634 10 0 BHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000247159331 359197758 /nfs/dbraw/zinc/19/77/58/359197758.db2.gz XTMUVFBESAEHFN-YWVKMMECSA-N 1 0 238.400 3.634 10 0 BHAERO c1coc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000247572854 359235658 /nfs/dbraw/zinc/23/56/58/359235658.db2.gz XAIDMXGBBSSDRU-CHWSQXEVSA-N 1 0 217.312 3.525 10 0 BHAERO c1coc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000247572858 359235279 /nfs/dbraw/zinc/23/52/79/359235279.db2.gz XAIDMXGBBSSDRU-OLZOCXBDSA-N 1 0 217.312 3.525 10 0 BHAERO CCCCCOc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])cc1 ZINC000248239916 345086509 /nfs/dbraw/zinc/08/65/09/345086509.db2.gz DPOZKLOFYWPCIV-MAZHCROVSA-N 1 0 247.382 3.706 10 0 BHAERO CCCCCOc1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])cc1 ZINC000248239920 345086621 /nfs/dbraw/zinc/08/66/21/345086621.db2.gz DPOZKLOFYWPCIV-RCBQFDQVSA-N 1 0 247.382 3.706 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1C ZINC000248531634 384905540 /nfs/dbraw/zinc/90/55/40/384905540.db2.gz PDMLZVQVUZJQCA-OFQRWUPVSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1C ZINC000248531636 322870072 /nfs/dbraw/zinc/87/00/72/322870072.db2.gz PDMLZVQVUZJQCA-SQWLQELKSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c(C)c1 ZINC000248532834 384905735 /nfs/dbraw/zinc/90/57/35/384905735.db2.gz RTZOQZYBJWCELQ-OFQRWUPVSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c(C)c1 ZINC000248532835 384905672 /nfs/dbraw/zinc/90/56/72/384905672.db2.gz RTZOQZYBJWCELQ-SQWLQELKSA-N 1 0 247.382 3.522 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248657057 388688179 /nfs/dbraw/zinc/68/81/79/388688179.db2.gz WZFQKKQICCFVSD-RZFFKMDDSA-N 1 0 229.367 3.567 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248657058 388688636 /nfs/dbraw/zinc/68/86/36/388688636.db2.gz WZFQKKQICCFVSD-UNQGMJICSA-N 1 0 229.367 3.567 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248657059 388688799 /nfs/dbraw/zinc/68/87/99/388688799.db2.gz WZFQKKQICCFVSD-UQOMUDLDSA-N 1 0 229.367 3.567 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccsc1 ZINC000249094582 325636899 /nfs/dbraw/zinc/63/68/99/325636899.db2.gz OBJTXFSKFWJBSG-ADEWGFFLSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccsc1 ZINC000249094585 325637003 /nfs/dbraw/zinc/63/70/03/325637003.db2.gz OBJTXFSKFWJBSG-USWWRNFRSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249208427 388712664 /nfs/dbraw/zinc/71/26/64/388712664.db2.gz CCAOHDVNZLXFRZ-NEPJUHHUSA-N 1 0 207.317 3.605 10 0 BHAERO CCC[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249208431 388712797 /nfs/dbraw/zinc/71/27/97/388712797.db2.gz CCAOHDVNZLXFRZ-RYUDHWBXSA-N 1 0 207.317 3.605 10 0 BHAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000249724172 384906196 /nfs/dbraw/zinc/90/61/96/384906196.db2.gz PLETWMWXLMIUJE-TYNCELHUSA-N 1 0 217.356 3.698 10 0 BHAERO CCCc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000249724173 384906296 /nfs/dbraw/zinc/90/62/96/384906296.db2.gz PLETWMWXLMIUJE-XUJVJEKNSA-N 1 0 217.356 3.698 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000249772675 322870313 /nfs/dbraw/zinc/87/03/13/322870313.db2.gz CGJDGJCVVUVVNH-TYNCELHUSA-N 1 0 233.355 3.534 10 0 BHAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000249772680 322870239 /nfs/dbraw/zinc/87/02/39/322870239.db2.gz CGJDGJCVVUVVNH-XUJVJEKNSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000249860560 135046325 /nfs/dbraw/zinc/04/63/25/135046325.db2.gz FYAARXDERLIPSO-KWCYVHTRSA-N 1 0 203.329 3.526 10 0 BHAERO CCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000249860562 135046684 /nfs/dbraw/zinc/04/66/84/135046684.db2.gz FYAARXDERLIPSO-XBFCOCLRSA-N 1 0 203.329 3.526 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)nc1 ZINC000250234369 644749837 /nfs/dbraw/zinc/74/98/37/644749837.db2.gz DJTHNTXTNSTFJI-QLFBSQMISA-N 1 0 244.382 3.530 10 0 BHAERO c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc1 ZINC000250234374 644749655 /nfs/dbraw/zinc/74/96/55/644749655.db2.gz DJTHNTXTNSTFJI-SOUVJXGZSA-N 1 0 244.382 3.530 10 0 BHAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000250512531 323140339 /nfs/dbraw/zinc/14/03/39/323140339.db2.gz LTGINJQAYMHHCT-BYCMXARLSA-N 1 0 217.356 3.698 10 0 BHAERO CCc1ccc([C@H](CC)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000250512537 384908779 /nfs/dbraw/zinc/90/87/79/384908779.db2.gz LTGINJQAYMHHCT-UGFHNGPFSA-N 1 0 217.356 3.698 10 0 BHAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000250836419 644782543 /nfs/dbraw/zinc/78/25/43/644782543.db2.gz VCXVUZSCUONUOR-RRFJBIMHSA-N 1 0 241.419 3.629 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000250914855 177371900 /nfs/dbraw/zinc/37/19/00/177371900.db2.gz WYBBBUSDQJRCJS-MKHNBGRSSA-N 1 0 239.409 3.672 10 0 BHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000250969927 322871093 /nfs/dbraw/zinc/87/10/93/322871093.db2.gz CFJLRSIZOGTRDD-CDMKHQONSA-N 1 0 229.323 3.800 10 0 BHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000250969928 322871086 /nfs/dbraw/zinc/87/10/86/322871086.db2.gz CFJLRSIZOGTRDD-SUZMYJTESA-N 1 0 229.323 3.800 10 0 BHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1C ZINC000251080421 322870815 /nfs/dbraw/zinc/87/08/15/322870815.db2.gz SPCSKDNJZUFLFE-IPYPFGDCSA-N 1 0 217.356 3.671 10 0 BHAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1C ZINC000251080424 322870865 /nfs/dbraw/zinc/87/08/65/322870865.db2.gz SPCSKDNJZUFLFE-VNHYZAJKSA-N 1 0 217.356 3.671 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000251095288 135064343 /nfs/dbraw/zinc/06/43/43/135064343.db2.gz PVKLTGOSCBWVRG-ICCXJUOJSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000251095291 135064341 /nfs/dbraw/zinc/06/43/41/135064341.db2.gz PVKLTGOSCBWVRG-JIMOISOXSA-N 1 0 223.747 3.789 10 0 BHAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000251137483 644795010 /nfs/dbraw/zinc/79/50/10/644795010.db2.gz BCTMYRXNUYXLDF-VNQPRFMTSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000251138379 384911864 /nfs/dbraw/zinc/91/18/64/384911864.db2.gz BWDOCHSDYXVHFZ-OFQRWUPVSA-N 1 0 247.382 3.522 10 0 BHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000251138381 384912014 /nfs/dbraw/zinc/91/20/14/384912014.db2.gz BWDOCHSDYXVHFZ-SQWLQELKSA-N 1 0 247.382 3.522 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000251145510 325674808 /nfs/dbraw/zinc/67/48/08/325674808.db2.gz JZVFTELFGCXVFG-KKUMJFAQSA-N 1 0 229.367 3.711 10 0 BHAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000251145514 343281309 /nfs/dbraw/zinc/28/13/09/343281309.db2.gz JZVFTELFGCXVFG-ZNMIVQPWSA-N 1 0 229.367 3.711 10 0 BHAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000251161690 635702317 /nfs/dbraw/zinc/70/23/17/635702317.db2.gz LIHMCIHAZDHKDL-VNQPRFMTSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000251217772 135065934 /nfs/dbraw/zinc/06/59/34/135065934.db2.gz IMCHILZKESFJAM-ICCXJUOJSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000251217773 135066597 /nfs/dbraw/zinc/06/65/97/135066597.db2.gz IMCHILZKESFJAM-JIMOISOXSA-N 1 0 223.747 3.789 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccccc2)o1 ZINC000251229889 135067345 /nfs/dbraw/zinc/06/73/45/135067345.db2.gz LPMIJVIGCCENOJ-AEGPPILISA-N 1 0 241.334 3.795 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2c2ccccc2)o1 ZINC000251229895 135067324 /nfs/dbraw/zinc/06/73/24/135067324.db2.gz LPMIJVIGCCENOJ-QEJZJMRPSA-N 1 0 241.334 3.795 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccsc1 ZINC000251289994 583981450 /nfs/dbraw/zinc/98/14/50/583981450.db2.gz VENPIJCZIYKLJF-CQDKDKBSSA-N 1 0 243.375 3.955 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccsc1 ZINC000251289996 583981378 /nfs/dbraw/zinc/98/13/78/583981378.db2.gz VENPIJCZIYKLJF-TUKIKUTGSA-N 1 0 243.375 3.955 10 0 BHAERO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251327799 322871276 /nfs/dbraw/zinc/87/12/76/322871276.db2.gz IADVEEHXNCLONH-XQQFMLRXSA-N 1 0 211.393 3.979 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251327804 384913937 /nfs/dbraw/zinc/91/39/37/384913937.db2.gz IADVEEHXNCLONH-YNEHKIRRSA-N 1 0 211.393 3.979 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000251381124 384913857 /nfs/dbraw/zinc/91/38/57/384913857.db2.gz SVHGPNWEEZVRAV-XDQVBPFNSA-N 1 0 211.393 3.835 10 0 BHAERO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000251381127 384914552 /nfs/dbraw/zinc/91/45/52/384914552.db2.gz SVHGPNWEEZVRAV-ZOBORPQBSA-N 1 0 211.393 3.835 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000251457009 325677051 /nfs/dbraw/zinc/67/70/51/325677051.db2.gz ALBLZPVSTQHWJF-COXVUDFISA-N 1 0 243.394 3.712 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000251459030 325677087 /nfs/dbraw/zinc/67/70/87/325677087.db2.gz APLKKVSUIFTXAF-MGPQQGTHSA-N 1 0 235.371 3.769 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000251493641 644806225 /nfs/dbraw/zinc/80/62/25/644806225.db2.gz GVAIVBBLGKXSAH-CYUUQNCZSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000251493645 644806818 /nfs/dbraw/zinc/80/68/18/644806818.db2.gz GVAIVBBLGKXSAH-PMOUVXMZSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 ZINC000251493649 644806104 /nfs/dbraw/zinc/80/61/04/644806104.db2.gz GVAIVBBLGKXSAH-ZGKBOVNRSA-N 1 0 221.388 3.733 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000251525897 535824707 /nfs/dbraw/zinc/82/47/07/535824707.db2.gz GPTHUMVNZAPWAF-IPYPFGDCSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000251525907 135070408 /nfs/dbraw/zinc/07/04/08/135070408.db2.gz GPTHUMVNZAPWAF-NFAWXSAZSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(C)cs2)C1 ZINC000251544268 135070867 /nfs/dbraw/zinc/07/08/67/135070867.db2.gz HPAKPXATJHCDKW-IJLUTSLNSA-N 1 0 238.400 3.681 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)C1 ZINC000251544281 135070304 /nfs/dbraw/zinc/07/03/04/135070304.db2.gz HPAKPXATJHCDKW-UTUOFQBUSA-N 1 0 238.400 3.681 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000251594276 135072744 /nfs/dbraw/zinc/07/27/44/135072744.db2.gz KBNGXDOAMVTHTG-JHJVBQTASA-N 1 0 221.344 3.817 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000251594282 135072449 /nfs/dbraw/zinc/07/24/49/135072449.db2.gz KBNGXDOAMVTHTG-UPJWGTAASA-N 1 0 221.344 3.817 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251594992 135072162 /nfs/dbraw/zinc/07/21/62/135072162.db2.gz CMCYNNIIONMDOI-FIXIBIHLSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251595001 135072779 /nfs/dbraw/zinc/07/27/79/135072779.db2.gz CMCYNNIIONMDOI-HKCMKHECSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251595008 135072489 /nfs/dbraw/zinc/07/24/89/135072489.db2.gz CMCYNNIIONMDOI-PKIAMQTDSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000251596113 362889716 /nfs/dbraw/zinc/88/97/16/362889716.db2.gz CNAKFPIVJOYXGU-NFAWXSAZSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000251596125 362889272 /nfs/dbraw/zinc/88/92/72/362889272.db2.gz CNAKFPIVJOYXGU-UMVBOHGHSA-N 1 0 217.356 3.601 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000251598432 384916554 /nfs/dbraw/zinc/91/65/54/384916554.db2.gz YUWUCHIOTUXYHC-JQFCIGGWSA-N 1 0 237.346 3.893 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000251599246 384916485 /nfs/dbraw/zinc/91/64/85/384916485.db2.gz YUWUCHIOTUXYHC-RRQGHBQHSA-N 1 0 237.346 3.893 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251688942 322871522 /nfs/dbraw/zinc/87/15/22/322871522.db2.gz ATCBTEAVPNRIFT-LPWJVIDDSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251688948 322871533 /nfs/dbraw/zinc/87/15/33/322871533.db2.gz ATCBTEAVPNRIFT-NDBYEHHHSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000251688954 384913841 /nfs/dbraw/zinc/91/38/41/384913841.db2.gz ATCBTEAVPNRIFT-VOAKCMCISA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000251694455 384914026 /nfs/dbraw/zinc/91/40/26/384914026.db2.gz HIPXLCIKJFQMPZ-INWMFGNUSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000251694477 384915897 /nfs/dbraw/zinc/91/58/97/384915897.db2.gz HIPXLCIKJFQMPZ-XPKDYRNWSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000251706251 644819032 /nfs/dbraw/zinc/81/90/32/644819032.db2.gz HXIVOVUHLGQGES-IPYPFGDCSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000251706252 644818726 /nfs/dbraw/zinc/81/87/26/644818726.db2.gz HXIVOVUHLGQGES-NFAWXSAZSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)CC(C)(C)C1 ZINC000251713272 325680523 /nfs/dbraw/zinc/68/05/23/325680523.db2.gz BSMBRHPNRPTWCL-FRRDWIJNSA-N 1 0 241.444 3.686 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)CC(C)(C)C1 ZINC000251713274 325680493 /nfs/dbraw/zinc/68/04/93/325680493.db2.gz BSMBRHPNRPTWCL-JHJVBQTASA-N 1 0 241.444 3.686 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000251726825 384913378 /nfs/dbraw/zinc/91/33/78/384913378.db2.gz ZLZLSCBBMMIRAL-RCBQFDQVSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000251726826 322871570 /nfs/dbraw/zinc/87/15/70/322871570.db2.gz ZLZLSCBBMMIRAL-VBNZEHGJSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[C@H]1C ZINC000251781212 322871460 /nfs/dbraw/zinc/87/14/60/322871460.db2.gz FNKNRMZHBWDJMO-NFAWXSAZSA-N 1 0 231.383 3.741 10 0 BHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]1C ZINC000251781214 384917949 /nfs/dbraw/zinc/91/79/49/384917949.db2.gz FNKNRMZHBWDJMO-UMVBOHGHSA-N 1 0 231.383 3.741 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000251792091 135077718 /nfs/dbraw/zinc/07/77/18/135077718.db2.gz XNBOPZUXYKBEQV-BZPMIXESSA-N 1 0 233.355 3.622 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000251792096 135077274 /nfs/dbraw/zinc/07/72/74/135077274.db2.gz XNBOPZUXYKBEQV-YRGRVCCFSA-N 1 0 233.355 3.622 10 0 BHAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251820233 325682200 /nfs/dbraw/zinc/68/22/00/325682200.db2.gz PETMREJNHRGFJV-IPYPFGDCSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251820237 325682208 /nfs/dbraw/zinc/68/22/08/325682208.db2.gz PETMREJNHRGFJV-NFAWXSAZSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000251821076 135077505 /nfs/dbraw/zinc/07/75/05/135077505.db2.gz ZQKYECZXVRFJEV-BZPMIXESSA-N 1 0 233.355 3.825 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000251821078 535824688 /nfs/dbraw/zinc/82/46/88/535824688.db2.gz ZQKYECZXVRFJEV-DYEKYZERSA-N 1 0 233.355 3.825 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc32)C[C@H]1C ZINC000251853712 325682455 /nfs/dbraw/zinc/68/24/55/325682455.db2.gz PFSOKJVIGMNMIF-CXTNEJHOSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc32)C[C@H]1C ZINC000251853713 388757149 /nfs/dbraw/zinc/75/71/49/388757149.db2.gz PFSOKJVIGMNMIF-GUIRCDHDSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc32)C[C@@H]1C ZINC000251853715 388756933 /nfs/dbraw/zinc/75/69/33/388756933.db2.gz PFSOKJVIGMNMIF-OSFYFWSMSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000251919742 322871646 /nfs/dbraw/zinc/87/16/46/322871646.db2.gz QAGFDSUUGSBREN-JURCDPSOSA-N 1 0 217.356 3.567 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000251919743 322871797 /nfs/dbraw/zinc/87/17/97/322871797.db2.gz QAGFDSUUGSBREN-NZBPQXDJSA-N 1 0 217.356 3.567 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000251919744 384919230 /nfs/dbraw/zinc/91/92/30/384919230.db2.gz QAGFDSUUGSBREN-VIRABCJISA-N 1 0 217.356 3.567 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC000252090110 644835026 /nfs/dbraw/zinc/83/50/26/644835026.db2.gz DMFVTLNDCLDGHT-IJEWVQPXSA-N 1 0 231.383 3.643 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC000252090112 644835339 /nfs/dbraw/zinc/83/53/39/644835339.db2.gz DMFVTLNDCLDGHT-YCPHGPKFSA-N 1 0 231.383 3.643 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252103118 384917194 /nfs/dbraw/zinc/91/71/94/384917194.db2.gz GOMUVZFZHXDQKE-KCXAZCMYSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252103120 384918109 /nfs/dbraw/zinc/91/81/09/384918109.db2.gz GOMUVZFZHXDQKE-WQVCFCJDSA-N 1 0 229.367 3.842 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000252115826 384918837 /nfs/dbraw/zinc/91/88/37/384918837.db2.gz KFBZGEWVSRQWST-BVUBDWEXSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000252115827 322871709 /nfs/dbraw/zinc/87/17/09/322871709.db2.gz KFBZGEWVSRQWST-OEAJRASXSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000252115828 322871786 /nfs/dbraw/zinc/87/17/86/322871786.db2.gz KFBZGEWVSRQWST-OJLVUWQFSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252155318 644838171 /nfs/dbraw/zinc/83/81/71/644838171.db2.gz NDZAPTLATOJNJI-SNPRPXQTSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252155320 644838278 /nfs/dbraw/zinc/83/82/78/644838278.db2.gz NDZAPTLATOJNJI-YUELXQCFSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@H]1C[C@H]([NH2+][C@H]2COc3ccccc32)C[C@@H](C)C1 ZINC000252174194 388761981 /nfs/dbraw/zinc/76/19/81/388761981.db2.gz RRTIGZNQWGXANB-JLNYLFASSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]1CC([NH2+][C@H]2COc3ccccc32)C[C@H](C)C1 ZINC000252174195 388761928 /nfs/dbraw/zinc/76/19/28/388761928.db2.gz RRTIGZNQWGXANB-JMSVASOKSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]1C[C@H]([NH2+][C@@H]2COc3ccccc32)C[C@@H](C)C1 ZINC000252174196 388761847 /nfs/dbraw/zinc/76/18/47/388761847.db2.gz RRTIGZNQWGXANB-UKTARXLSSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000252206695 325685961 /nfs/dbraw/zinc/68/59/61/325685961.db2.gz XGTJDJYXADEBQH-ONERCXAPSA-N 1 0 240.350 3.543 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000252206697 325685927 /nfs/dbraw/zinc/68/59/27/325685927.db2.gz XGTJDJYXADEBQH-WKPIXPDZSA-N 1 0 240.350 3.543 10 0 BHAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000252218891 644843544 /nfs/dbraw/zinc/84/35/44/644843544.db2.gz YNEBYRPVHYXFTA-IPYPFGDCSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000252218992 644843642 /nfs/dbraw/zinc/84/36/42/644843642.db2.gz YNEBYRPVHYXFTA-NFAWXSAZSA-N 1 0 245.366 3.679 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000252220407 322872159 /nfs/dbraw/zinc/87/21/59/322872159.db2.gz YWJYKYUDYJEEQK-OEAJRASXSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000252220409 384920435 /nfs/dbraw/zinc/92/04/35/384920435.db2.gz YWJYKYUDYJEEQK-OJLVUWQFSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000252220411 322872014 /nfs/dbraw/zinc/87/20/14/322872014.db2.gz YWJYKYUDYJEEQK-SYAUCNOPSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@@H](O[C@H]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000252338826 363229137 /nfs/dbraw/zinc/22/91/37/363229137.db2.gz FKIXDYOUVWYXQY-VDERGJSUSA-N 1 0 247.382 3.670 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000252408611 535942222 /nfs/dbraw/zinc/94/22/22/535942222.db2.gz JCRCTUSLBAIMCJ-OBJOEFQTSA-N 1 0 233.355 3.534 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000252408612 133649840 /nfs/dbraw/zinc/64/98/40/133649840.db2.gz JCRCTUSLBAIMCJ-SCRDCRAPSA-N 1 0 233.355 3.534 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000252709972 385188281 /nfs/dbraw/zinc/18/82/81/385188281.db2.gz FIOFYTMGFCPAAX-BYNQJWBRSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@H](C)C1CCCCC1 ZINC000252709973 322943154 /nfs/dbraw/zinc/94/31/54/322943154.db2.gz FIOFYTMGFCPAAX-CZXHOFHRSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]([C@H](C)[NH2+][C@H]1C[C@H]1C)C1CCCCC1 ZINC000252709974 322943116 /nfs/dbraw/zinc/94/31/16/322943116.db2.gz FIOFYTMGFCPAAX-UHXUPSOCSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncc(C)s2)C1 ZINC000252710484 325691372 /nfs/dbraw/zinc/69/13/72/325691372.db2.gz GUZLICXJMZFLLQ-UTUOFQBUSA-N 1 0 238.400 3.681 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000252713228 538100203 /nfs/dbraw/zinc/10/02/03/538100203.db2.gz OPVCUSWTMIRZFU-IHRRRGAJSA-N 1 0 219.372 3.813 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000252713229 538100244 /nfs/dbraw/zinc/10/02/44/538100244.db2.gz OPVCUSWTMIRZFU-MELADBBJSA-N 1 0 219.372 3.813 10 0 BHAERO CCSc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000252713318 388774000 /nfs/dbraw/zinc/77/40/00/388774000.db2.gz OVCZHDLHWGBMQR-MDZLAQPJSA-N 1 0 235.396 3.858 10 0 BHAERO CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000252713319 388773095 /nfs/dbraw/zinc/77/30/95/388773095.db2.gz OVCZHDLHWGBMQR-NTZNESFSSA-N 1 0 235.396 3.858 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715213 538100089 /nfs/dbraw/zinc/10/00/89/538100089.db2.gz UXTFCIHHPQLDER-SNPRPXQTSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715214 538100287 /nfs/dbraw/zinc/10/02/87/538100287.db2.gz UXTFCIHHPQLDER-YUELXQCFSA-N 1 0 245.366 3.679 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc(C)c1F ZINC000252715948 323141612 /nfs/dbraw/zinc/14/16/12/323141612.db2.gz XEKOFEOZMGFPFS-WLTAIBSBSA-N 1 0 221.319 3.502 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc(C)c1F ZINC000252715949 325692553 /nfs/dbraw/zinc/69/25/53/325692553.db2.gz XEKOFEOZMGFPFS-YDEJPDAXSA-N 1 0 221.319 3.502 10 0 BHAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252716486 135101938 /nfs/dbraw/zinc/10/19/38/135101938.db2.gz YOOOBBQHQGVJPJ-BZPMIXESSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252716487 135101084 /nfs/dbraw/zinc/10/10/84/135101084.db2.gz YOOOBBQHQGVJPJ-DYEKYZERSA-N 1 0 245.366 3.534 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000252728457 644891889 /nfs/dbraw/zinc/89/18/89/644891889.db2.gz BNDQXCYZYQTURY-JLLWLGSASA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000252728458 644890804 /nfs/dbraw/zinc/89/08/04/644890804.db2.gz BNDQXCYZYQTURY-YUSALJHKSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC000252728696 325692971 /nfs/dbraw/zinc/69/29/71/325692971.db2.gz CINAPTZTGAVIKD-MPKXVKKWSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC000252728697 388776356 /nfs/dbraw/zinc/77/63/56/388776356.db2.gz CINAPTZTGAVIKD-QKCSRTOESA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CSC(C)(C)C ZINC000252729072 642894127 /nfs/dbraw/zinc/89/41/27/642894127.db2.gz FARJVVWSSPHBSY-IJLUTSLNSA-N 1 0 229.433 3.685 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CSC(C)(C)C ZINC000252729073 642894948 /nfs/dbraw/zinc/89/49/48/642894948.db2.gz FARJVVWSSPHBSY-UTUOFQBUSA-N 1 0 229.433 3.685 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1sccc1C ZINC000252730005 325693324 /nfs/dbraw/zinc/69/33/24/325693324.db2.gz JJVOJPQNAHCPCN-IJLUTSLNSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1sccc1C ZINC000252730006 385240644 /nfs/dbraw/zinc/24/06/44/385240644.db2.gz JJVOJPQNAHCPCN-UTUOFQBUSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252730154 535495018 /nfs/dbraw/zinc/49/50/18/535495018.db2.gz KARIKHBVMXNGIC-KGYLQXTDSA-N 1 0 235.396 3.904 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252730155 135104090 /nfs/dbraw/zinc/10/40/90/135104090.db2.gz KARIKHBVMXNGIC-WXHSDQCUSA-N 1 0 235.396 3.904 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000252730676 325693516 /nfs/dbraw/zinc/69/35/16/325693516.db2.gz MIYNUXLMOLBJTO-BPLDGKMQSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000252730677 325693555 /nfs/dbraw/zinc/69/35/55/325693555.db2.gz MIYNUXLMOLBJTO-YUELXQCFSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000252731278 325693449 /nfs/dbraw/zinc/69/34/49/325693449.db2.gz PCSTWIJGFHFIGM-IJLUTSLNSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000252731279 325693520 /nfs/dbraw/zinc/69/35/20/325693520.db2.gz PCSTWIJGFHFIGM-UTUOFQBUSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(CC)o1 ZINC000252731366 388776586 /nfs/dbraw/zinc/77/65/86/388776586.db2.gz PPCKBQYRCXOIMR-NQBHXWOUSA-N 1 0 221.344 3.681 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(CC)o1 ZINC000252731367 388776521 /nfs/dbraw/zinc/77/65/21/388776521.db2.gz PPCKBQYRCXOIMR-WZRBSPASSA-N 1 0 221.344 3.681 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000252731669 385657094 /nfs/dbraw/zinc/65/70/94/385657094.db2.gz RAMJDQJTUTVORJ-CKYFFXLPSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000252731670 385658051 /nfs/dbraw/zinc/65/80/51/385658051.db2.gz RAMJDQJTUTVORJ-FOGDFJRCSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1cccs1 ZINC000252731928 325693514 /nfs/dbraw/zinc/69/35/14/325693514.db2.gz SDYWEKKMYZPCIV-IJLUTSLNSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1cccs1 ZINC000252731929 388776378 /nfs/dbraw/zinc/77/63/78/388776378.db2.gz SDYWEKKMYZPCIV-UTUOFQBUSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000252732372 325693711 /nfs/dbraw/zinc/69/37/11/325693711.db2.gz UUIFNZFFAYFRCG-MPKXVKKWSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000252732373 388778931 /nfs/dbraw/zinc/77/89/31/388778931.db2.gz UUIFNZFFAYFRCG-QKCSRTOESA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000252732432 385290474 /nfs/dbraw/zinc/29/04/74/385290474.db2.gz VAPRHZSUZYVNOJ-CKYFFXLPSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccsc1 ZINC000252732433 385289069 /nfs/dbraw/zinc/28/90/69/385289069.db2.gz VAPRHZSUZYVNOJ-FOGDFJRCSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)Cc1cccs1 ZINC000252732613 538101531 /nfs/dbraw/zinc/10/15/31/538101531.db2.gz WADPPWXNYMBSTP-YRGRVCCFSA-N 1 0 237.412 3.847 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1C ZINC000252732859 322946267 /nfs/dbraw/zinc/94/62/67/322946267.db2.gz WVJHNVIUOGFCFQ-NFAWXSAZSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000252732860 322946275 /nfs/dbraw/zinc/94/62/75/322946275.db2.gz WVJHNVIUOGFCFQ-UMVBOHGHSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccnc1Cl ZINC000252733173 385656207 /nfs/dbraw/zinc/65/62/07/385656207.db2.gz YFHCDLPHAXRTFC-CKYFFXLPSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccnc1Cl ZINC000252733174 385656678 /nfs/dbraw/zinc/65/66/78/385656678.db2.gz YFHCDLPHAXRTFC-FOGDFJRCSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000252733268 388779059 /nfs/dbraw/zinc/77/90/59/388779059.db2.gz YPVPZWRSWXEXPM-GMTAPVOTSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccs1 ZINC000252733269 325693876 /nfs/dbraw/zinc/69/38/76/325693876.db2.gz YPVPZWRSWXEXPM-MXWKQRLJSA-N 1 0 209.358 3.587 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1F ZINC000252733401 388778450 /nfs/dbraw/zinc/77/84/50/388778450.db2.gz ZENWBXSKHUNPKU-GYSYKLTISA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC000252733402 388778354 /nfs/dbraw/zinc/77/83/54/388778354.db2.gz ZENWBXSKHUNPKU-JTNHKYCSSA-N 1 0 221.319 3.665 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000252733483 325693886 /nfs/dbraw/zinc/69/38/86/325693886.db2.gz ZOMMBKOVWQXMKM-BPLDGKMQSA-N 1 0 217.356 3.834 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000252733484 388778204 /nfs/dbraw/zinc/77/82/04/388778204.db2.gz ZOMMBKOVWQXMKM-YUELXQCFSA-N 1 0 217.356 3.834 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000252742050 388779727 /nfs/dbraw/zinc/77/97/27/388779727.db2.gz WYJRQEPTQYNYJJ-BYNQJWBRSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000252742052 388779564 /nfs/dbraw/zinc/77/95/64/388779564.db2.gz WYJRQEPTQYNYJJ-GFQSEFKGSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000252742054 325694817 /nfs/dbraw/zinc/69/48/17/325694817.db2.gz WYJRQEPTQYNYJJ-HKUMRIAESA-N 1 0 209.377 3.589 10 0 BHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H]1C ZINC000252788075 325696505 /nfs/dbraw/zinc/69/65/05/325696505.db2.gz JBSYDWUQMJKKJT-OXHZDVMGSA-N 1 0 215.340 3.541 10 0 BHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H]1C ZINC000252788076 325696520 /nfs/dbraw/zinc/69/65/20/325696520.db2.gz JBSYDWUQMJKKJT-RFHZTLPTSA-N 1 0 215.340 3.541 10 0 BHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H]1C ZINC000252788077 388782603 /nfs/dbraw/zinc/78/26/03/388782603.db2.gz JBSYDWUQMJKKJT-XCCSTKFXSA-N 1 0 215.340 3.541 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000252811210 135111644 /nfs/dbraw/zinc/11/16/44/135111644.db2.gz OFWSJXFBISYFQV-BIGNPOOSSA-N 1 0 235.758 3.715 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000252811212 135111981 /nfs/dbraw/zinc/11/19/81/135111981.db2.gz OFWSJXFBISYFQV-IIMNLJJBSA-N 1 0 235.758 3.715 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1F ZINC000252840930 135113058 /nfs/dbraw/zinc/11/30/58/135113058.db2.gz CZZHEYPXCUSKIJ-JFUSQASVSA-N 1 0 241.737 3.928 10 0 BHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1F ZINC000252840931 135113184 /nfs/dbraw/zinc/11/31/84/135113184.db2.gz CZZHEYPXCUSKIJ-ZHAHWJHGSA-N 1 0 241.737 3.928 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000252954369 388794399 /nfs/dbraw/zinc/79/43/99/388794399.db2.gz QQITWEBZDCPSJK-OEAJRASXSA-N 1 0 229.367 3.711 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000252954370 388794333 /nfs/dbraw/zinc/79/43/33/388794333.db2.gz QQITWEBZDCPSJK-OJLVUWQFSA-N 1 0 229.367 3.711 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000252954371 388795255 /nfs/dbraw/zinc/79/52/55/388795255.db2.gz QQITWEBZDCPSJK-SYAUCNOPSA-N 1 0 229.367 3.711 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000253138575 368543567 /nfs/dbraw/zinc/54/35/67/368543567.db2.gz VLALXZGZEWQTAE-AAVRWANBSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000253138576 368543686 /nfs/dbraw/zinc/54/36/86/368543686.db2.gz VLALXZGZEWQTAE-SYQHCUMBSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000253138577 368542977 /nfs/dbraw/zinc/54/29/77/368542977.db2.gz VLALXZGZEWQTAE-XDQVBPFNSA-N 1 0 209.377 3.733 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000253138578 368542961 /nfs/dbraw/zinc/54/29/61/368542961.db2.gz VLALXZGZEWQTAE-XUXIUFHCSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000253179664 325713074 /nfs/dbraw/zinc/71/30/74/325713074.db2.gz CVTMELUXVZPNGY-SYQHCUMBSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000253179668 325712903 /nfs/dbraw/zinc/71/29/03/325712903.db2.gz CVTMELUXVZPNGY-XUXIUFHCSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](SC)C2)C1 ZINC000253195256 325714152 /nfs/dbraw/zinc/71/41/52/325714152.db2.gz RIJJPVBXFJVAMN-ZOBORPQBSA-N 1 0 241.444 3.829 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000253203218 325714416 /nfs/dbraw/zinc/71/44/16/325714416.db2.gz ZHLPBSVBICVBSV-BNOWGMLFSA-N 1 0 203.329 3.526 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000253203219 388811037 /nfs/dbraw/zinc/81/10/37/388811037.db2.gz ZHLPBSVBICVBSV-MRVWCRGKSA-N 1 0 203.329 3.526 10 0 BHAERO CCSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000253624880 388824860 /nfs/dbraw/zinc/82/48/60/388824860.db2.gz WTOABVPDEJEVPC-SUNKGSAMSA-N 1 0 235.396 3.858 10 0 BHAERO CCSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000253624881 388823869 /nfs/dbraw/zinc/82/38/69/388823869.db2.gz WTOABVPDEJEVPC-UHIISALHSA-N 1 0 235.396 3.858 10 0 BHAERO C[C@H](C1CC1)[NH+](C/C=C\Cl)C/C=C\Cl ZINC000255363226 631338378 /nfs/dbraw/zinc/33/83/78/631338378.db2.gz MORDUKFVJCEFNV-UIUZEXODSA-N 1 0 234.170 3.592 10 0 BHAERO C[C@H](C1CC1)[N@H+](C/C=C/Cl)C/C=C\Cl ZINC000255363228 631338801 /nfs/dbraw/zinc/33/88/01/631338801.db2.gz MORDUKFVJCEFNV-USBIXFJHSA-N 1 0 234.170 3.592 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@](C)([NH+]2CCCCC2)C1 ZINC000255986840 177319240 /nfs/dbraw/zinc/31/92/40/177319240.db2.gz LZTQQQCDUZLMTH-WDNDVIMCSA-N 1 0 209.377 3.687 10 0 BHAERO CC[C@H](c1ccccc1)[C@H]1[NH2+]CC[C@H]1CC ZINC000256066761 345765447 /nfs/dbraw/zinc/76/54/47/345765447.db2.gz TXYWEWYKMXZZNL-YUELXQCFSA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@@H]1CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C ZINC000256066780 345765450 /nfs/dbraw/zinc/76/54/50/345765450.db2.gz UWIIMVSWLWCKND-XQQFMLRXSA-N 1 0 211.393 3.837 10 0 BHAERO CC[C@@H]1CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C ZINC000256066782 345765430 /nfs/dbraw/zinc/76/54/30/345765430.db2.gz UWIIMVSWLWCKND-YNEHKIRRSA-N 1 0 211.393 3.837 10 0 BHAERO Cc1cc(-c2csc([C@@H](C)[NH3+])n2)c(C)s1 ZINC000261583073 135224386 /nfs/dbraw/zinc/22/43/86/135224386.db2.gz OVNBQXUESXBYQV-SSDOTTSWSA-N 1 0 238.381 3.508 10 0 BHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000268803176 174261334 /nfs/dbraw/zinc/26/13/34/174261334.db2.gz QYKDCTJOXDKZIR-CABCVRRESA-N 1 0 249.398 3.769 10 0 BHAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000268803180 174263980 /nfs/dbraw/zinc/26/39/80/174263980.db2.gz QYKDCTJOXDKZIR-GJZGRUSLSA-N 1 0 249.398 3.769 10 0 BHAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000268803182 174261478 /nfs/dbraw/zinc/26/14/78/174261478.db2.gz QYKDCTJOXDKZIR-HUUCEWRRSA-N 1 0 249.398 3.769 10 0 BHAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000268803185 174264495 /nfs/dbraw/zinc/26/44/95/174264495.db2.gz QYKDCTJOXDKZIR-LSDHHAIUSA-N 1 0 249.398 3.769 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274879107 389049220 /nfs/dbraw/zinc/04/92/20/389049220.db2.gz HFAYEFXEOFDLQL-BREBYQMCSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274879109 169433329 /nfs/dbraw/zinc/43/33/29/169433329.db2.gz HFAYEFXEOFDLQL-CWSCBRNRSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274879111 389048759 /nfs/dbraw/zinc/04/87/59/389048759.db2.gz HFAYEFXEOFDLQL-GIPNMCIBSA-N 1 0 238.762 3.574 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274879114 389049069 /nfs/dbraw/zinc/04/90/69/389049069.db2.gz HFAYEFXEOFDLQL-OPQQBVKSSA-N 1 0 238.762 3.574 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1cccs1 ZINC000282189689 385515346 /nfs/dbraw/zinc/51/53/46/385515346.db2.gz NGCRDQKKZKZDMY-CMPLNLGQSA-N 1 0 221.369 3.731 10 0 BHAERO C[C@H]([NH2+][C@H]1CCC12CCC2)c1cccs1 ZINC000282189691 385514794 /nfs/dbraw/zinc/51/47/94/385514794.db2.gz NGCRDQKKZKZDMY-JQWIXIFHSA-N 1 0 221.369 3.731 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1cccs1 ZINC000282189692 175924390 /nfs/dbraw/zinc/92/43/90/175924390.db2.gz NGCRDQKKZKZDMY-PWSUYJOCSA-N 1 0 221.369 3.731 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1cccs1 ZINC000282189694 385515508 /nfs/dbraw/zinc/51/55/08/385515508.db2.gz NGCRDQKKZKZDMY-ZYHUDNBSSA-N 1 0 221.369 3.731 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC23CCC3)o1 ZINC000282434603 384275015 /nfs/dbraw/zinc/27/50/15/384275015.db2.gz ZDASBWZYDJMNAW-AAEUAGOBSA-N 1 0 219.328 3.571 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCC3)o1 ZINC000282434606 384275157 /nfs/dbraw/zinc/27/51/57/384275157.db2.gz ZDASBWZYDJMNAW-DGCLKSJQSA-N 1 0 219.328 3.571 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC23CCC3)o1 ZINC000282434609 384275762 /nfs/dbraw/zinc/27/57/62/384275762.db2.gz ZDASBWZYDJMNAW-WCQYABFASA-N 1 0 219.328 3.571 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC23CCC3)o1 ZINC000282434611 384276757 /nfs/dbraw/zinc/27/67/57/384276757.db2.gz ZDASBWZYDJMNAW-YPMHNXCESA-N 1 0 219.328 3.571 10 0 BHAERO C[C@@H]([NH2+]CCCCCF)c1cccs1 ZINC000284092035 387064724 /nfs/dbraw/zinc/06/47/24/387064724.db2.gz LYZRUAUCLWBFKZ-SNVBAGLBSA-N 1 0 215.337 3.539 10 0 BHAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCF)s1 ZINC000285572223 178634108 /nfs/dbraw/zinc/63/41/08/178634108.db2.gz HZUNGEYDHACDCZ-AAEUAGOBSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)s1 ZINC000285572226 387272887 /nfs/dbraw/zinc/27/28/87/387272887.db2.gz HZUNGEYDHACDCZ-DGCLKSJQSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCF)s1 ZINC000285572229 387273581 /nfs/dbraw/zinc/27/35/81/387273581.db2.gz HZUNGEYDHACDCZ-WCQYABFASA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCF)s1 ZINC000285572232 387274173 /nfs/dbraw/zinc/27/41/73/387274173.db2.gz HZUNGEYDHACDCZ-YPMHNXCESA-N 1 0 241.375 3.674 10 0 BHAERO Cc1cc(C[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000285770511 178041488 /nfs/dbraw/zinc/04/14/88/178041488.db2.gz DYRGRHBWUJXUHS-HNNXBMFYSA-N 1 0 243.375 3.834 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)c2cccs2)cs1 ZINC000285857679 178031611 /nfs/dbraw/zinc/03/16/11/178031611.db2.gz KFCPOJPQPQKPBA-JTQLQIEISA-N 1 0 237.393 3.969 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)c2cccs2)cs1 ZINC000285857681 178037987 /nfs/dbraw/zinc/03/79/87/178037987.db2.gz KFCPOJPQPQKPBA-SNVBAGLBSA-N 1 0 237.393 3.969 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C)c2)o1 ZINC000286083075 178845721 /nfs/dbraw/zinc/84/57/21/178845721.db2.gz ZBOPKZPUYYQVQG-LLVKDONJSA-N 1 0 235.352 3.809 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2csc(C)c2)o1 ZINC000286083080 387312230 /nfs/dbraw/zinc/31/22/30/387312230.db2.gz ZBOPKZPUYYQVQG-NSHDSACASA-N 1 0 235.352 3.809 10 0 BHAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000286253584 387318738 /nfs/dbraw/zinc/31/87/38/387318738.db2.gz UNDMQTDUJBTCAR-NEPJUHHUSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000286253589 387319463 /nfs/dbraw/zinc/31/94/63/387319463.db2.gz UNDMQTDUJBTCAR-NWDGAFQWSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000286253592 179550749 /nfs/dbraw/zinc/55/07/49/179550749.db2.gz UNDMQTDUJBTCAR-RYUDHWBXSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000286253595 387319287 /nfs/dbraw/zinc/31/92/87/387319287.db2.gz UNDMQTDUJBTCAR-VXGBXAGGSA-N 1 0 241.375 3.674 10 0 BHAERO CCc1nc(C)cc(N[C@@H](C)c2cccs2)n1 ZINC000287100733 359536544 /nfs/dbraw/zinc/53/65/44/359536544.db2.gz VJUDCJVOOHKUCI-JTQLQIEISA-N 1 0 247.367 3.582 10 0 BHAERO CCc1nc(C)cc(N[C@H](C)c2cccs2)n1 ZINC000287100737 359536975 /nfs/dbraw/zinc/53/69/75/359536975.db2.gz VJUDCJVOOHKUCI-SNVBAGLBSA-N 1 0 247.367 3.582 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290983507 167383873 /nfs/dbraw/zinc/38/38/73/167383873.db2.gz YWFRUDMLJJJTJS-MRVPVSSYSA-N 1 0 247.169 3.523 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290983508 385115134 /nfs/dbraw/zinc/11/51/34/385115134.db2.gz YWFRUDMLJJJTJS-QMMMGPOBSA-N 1 0 247.169 3.523 10 0 BHAERO CC(C)C1([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000292979210 166752395 /nfs/dbraw/zinc/75/23/95/166752395.db2.gz LBFFQTARBMZMOW-UHFFFAOYSA-N 1 0 240.350 3.513 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000293728549 179339129 /nfs/dbraw/zinc/33/91/29/179339129.db2.gz GISXEVWXZKVEGN-LJISPDSOSA-N 1 0 247.382 3.602 10 0 BHAERO Cc1sccc1C[NH2+][C@H](C)c1cccs1 ZINC000294036066 387591400 /nfs/dbraw/zinc/59/14/00/387591400.db2.gz IKDVMJTZMMDZHB-SECBINFHSA-N 1 0 237.393 3.969 10 0 BHAERO Cc1sccc1C[NH2+][C@@H](C)c1cccs1 ZINC000294036080 388393690 /nfs/dbraw/zinc/39/36/90/388393690.db2.gz IKDVMJTZMMDZHB-VIFPVBQESA-N 1 0 237.393 3.969 10 0 BHAERO Cc1sccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000294218320 384670746 /nfs/dbraw/zinc/67/07/46/384670746.db2.gz SELCGFDUVZTLJS-HNNXBMFYSA-N 1 0 243.375 3.834 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2C)o1 ZINC000294331123 388398984 /nfs/dbraw/zinc/39/89/84/388398984.db2.gz YQTFROXULNCAJD-JTQLQIEISA-N 1 0 235.352 3.809 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2C)o1 ZINC000294331126 388398695 /nfs/dbraw/zinc/39/86/95/388398695.db2.gz YQTFROXULNCAJD-SNVBAGLBSA-N 1 0 235.352 3.809 10 0 BHAERO [NH3+][C@H]1CCCc2cc(C(F)(F)F)c(Cl)cc21 ZINC000299889700 386498188 /nfs/dbraw/zinc/49/81/88/386498188.db2.gz NKPOYEKVVCHKFY-JTQLQIEISA-N 1 0 249.663 3.695 10 0 BHAERO [NH3+][C@@H]1CCCc2cc(C(F)(F)F)c(Cl)cc21 ZINC000299889701 386498577 /nfs/dbraw/zinc/49/85/77/386498577.db2.gz NKPOYEKVVCHKFY-SNVBAGLBSA-N 1 0 249.663 3.695 10 0 BHAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000300012873 528143466 /nfs/dbraw/zinc/14/34/66/528143466.db2.gz UEMRYBUARGJRON-IACUBPJLSA-N 1 0 209.377 3.613 10 0 BHAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000300012874 528144291 /nfs/dbraw/zinc/14/42/91/528144291.db2.gz UEMRYBUARGJRON-YUTCNCBUSA-N 1 0 209.377 3.613 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSC2)c2ccccc21 ZINC000300014433 176214504 /nfs/dbraw/zinc/21/45/04/176214504.db2.gz JATSGFRQFWYXRJ-TYNCELHUSA-N 1 0 247.407 3.720 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)c2ccccc21 ZINC000300014436 176234103 /nfs/dbraw/zinc/23/41/03/176234103.db2.gz JATSGFRQFWYXRJ-XUJVJEKNSA-N 1 0 247.407 3.720 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1COc2ccccc21 ZINC000300129368 226366919 /nfs/dbraw/zinc/36/69/19/226366919.db2.gz CMWHRJFBGQEUOL-BNOWGMLFSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1COc2ccccc21 ZINC000300129370 534145754 /nfs/dbraw/zinc/14/57/54/534145754.db2.gz CMWHRJFBGQEUOL-XBFCOCLRSA-N 1 0 245.366 3.534 10 0 BHAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000300224582 352557079 /nfs/dbraw/zinc/55/70/79/352557079.db2.gz OXXWPTIPTNIHCU-XVKPBYJWSA-N 1 0 229.776 3.708 10 0 BHAERO C[C@H]1[C@H](c2cc(Cl)sc2Cl)C[C@@H]1[NH3+] ZINC000300353659 358971430 /nfs/dbraw/zinc/97/14/30/358971430.db2.gz LEEZRIHCYYFPTG-BFHQHQDPSA-N 1 0 236.167 3.506 10 0 BHAERO C[C@@H]1[C@H]([NH3+])C[C@H]1c1cc(Cl)sc1Cl ZINC000300353660 358971325 /nfs/dbraw/zinc/97/13/25/358971325.db2.gz LEEZRIHCYYFPTG-HBPOCXIASA-N 1 0 236.167 3.506 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1sc(C)nc1C ZINC000300358971 384684961 /nfs/dbraw/zinc/68/49/61/384684961.db2.gz MGTCBALDPIYKBK-JLLWLGSASA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1sc(C)nc1C ZINC000300358972 169442010 /nfs/dbraw/zinc/44/20/10/169442010.db2.gz MGTCBALDPIYKBK-YUSALJHKSA-N 1 0 238.400 3.599 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCCC(F)(F)F ZINC000300360593 527866788 /nfs/dbraw/zinc/86/67/88/527866788.db2.gz VRZXPFYQLSZOHU-GMTAPVOTSA-N 1 0 237.309 3.886 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCCC(F)(F)F ZINC000300360594 527831028 /nfs/dbraw/zinc/83/10/28/527831028.db2.gz VRZXPFYQLSZOHU-MXWKQRLJSA-N 1 0 237.309 3.886 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000300372928 527831103 /nfs/dbraw/zinc/83/11/03/527831103.db2.gz XNPQTEOAJHSHPT-CFVMTHIKSA-N 1 0 217.356 3.568 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000300372930 527866623 /nfs/dbraw/zinc/86/66/23/527866623.db2.gz XNPQTEOAJHSHPT-NWANDNLSSA-N 1 0 217.356 3.568 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000300373348 384711354 /nfs/dbraw/zinc/71/13/54/384711354.db2.gz YMVKRXRYLPLEFO-MPKXVKKWSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000300373349 384710923 /nfs/dbraw/zinc/71/09/23/384710923.db2.gz YMVKRXRYLPLEFO-QKCSRTOESA-N 1 0 221.344 3.736 10 0 BHAERO C/C(=C\Cl)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000300400980 358989903 /nfs/dbraw/zinc/98/99/03/358989903.db2.gz HKABBXCRFDYVHJ-NWFYNBELSA-N 1 0 215.768 3.543 10 0 BHAERO C/C(=C\Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000300401298 352562724 /nfs/dbraw/zinc/56/27/24/352562724.db2.gz SRQNKBJHQSAIDC-DAPOTBNASA-N 1 0 215.768 3.543 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000300404870 527831834 /nfs/dbraw/zinc/83/18/34/527831834.db2.gz CLFZMWOAEHQHPW-KYOSRNDESA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000300404871 527865981 /nfs/dbraw/zinc/86/59/81/527865981.db2.gz CLFZMWOAEHQHPW-UXIGCNINSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000300405033 527867113 /nfs/dbraw/zinc/86/71/13/527867113.db2.gz YTMMFQLSWWPDSX-FVQBIDKESA-N 1 0 231.383 3.786 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000300405652 527832156 /nfs/dbraw/zinc/83/21/56/527832156.db2.gz QPJLSTUMHAUIFZ-OXHZDVMGSA-N 1 0 233.355 3.681 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000300405653 527831930 /nfs/dbraw/zinc/83/19/30/527831930.db2.gz QPJLSTUMHAUIFZ-RFHZTLPTSA-N 1 0 233.355 3.681 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000300405654 527831626 /nfs/dbraw/zinc/83/16/26/527831626.db2.gz QPJLSTUMHAUIFZ-XCCSTKFXSA-N 1 0 233.355 3.681 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000300405739 386594816 /nfs/dbraw/zinc/59/48/16/386594816.db2.gz VBBSQPZQWILCAK-GLXFQSAKSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000300405740 527831689 /nfs/dbraw/zinc/83/16/89/527831689.db2.gz VBBSQPZQWILCAK-UDZFHETQSA-N 1 0 239.309 3.804 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000300412135 384771613 /nfs/dbraw/zinc/77/16/13/384771613.db2.gz KUCDGZNNWKLAMC-FPMFFAJLSA-N 1 0 248.370 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000300412136 384773100 /nfs/dbraw/zinc/77/31/00/384773100.db2.gz KUCDGZNNWKLAMC-UBHSHLNASA-N 1 0 248.370 3.602 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000300413418 527868300 /nfs/dbraw/zinc/86/83/00/527868300.db2.gz BZOMREKUBFTGEZ-BYCMXARLSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000300413419 527831891 /nfs/dbraw/zinc/83/18/91/527831891.db2.gz BZOMREKUBFTGEZ-UGFHNGPFSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000300413443 527831494 /nfs/dbraw/zinc/83/14/94/527831494.db2.gz CKEMCCCGVYIUGE-BMFZPTHFSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000300413444 527867785 /nfs/dbraw/zinc/86/77/85/527867785.db2.gz CKEMCCCGVYIUGE-FVQBIDKESA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000300413616 527866442 /nfs/dbraw/zinc/86/64/42/527866442.db2.gz DMRINEXZQCUSBG-GPCCPHFNSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000300413617 527831906 /nfs/dbraw/zinc/83/19/06/527831906.db2.gz DMRINEXZQCUSBG-RULNRJAQSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000300413714 527868306 /nfs/dbraw/zinc/86/83/06/527868306.db2.gz CADLPGYMXIDXGK-BZUAXINKSA-N 1 0 229.367 3.916 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000300413715 387245238 /nfs/dbraw/zinc/24/52/38/387245238.db2.gz CADLPGYMXIDXGK-OWCLPIDISA-N 1 0 229.367 3.916 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000300413871 527867125 /nfs/dbraw/zinc/86/71/25/527867125.db2.gz HIHYDJFJWLTYCT-GPCCPHFNSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000300413872 527831799 /nfs/dbraw/zinc/83/17/99/527831799.db2.gz HIHYDJFJWLTYCT-RULNRJAQSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000300413890 527832067 /nfs/dbraw/zinc/83/20/67/527832067.db2.gz HUGBCBVAEDQZRV-KYOSRNDESA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000300413891 527866050 /nfs/dbraw/zinc/86/60/50/527866050.db2.gz HUGBCBVAEDQZRV-UXIGCNINSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000300414010 527867756 /nfs/dbraw/zinc/86/77/56/527867756.db2.gz IGZWBTYVXASSMR-BYCMXARLSA-N 1 0 249.785 3.585 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000300414013 527866313 /nfs/dbraw/zinc/86/63/13/527866313.db2.gz IIAVXJRYKIPLIO-UXIGCNINSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1OCC ZINC000300414101 527831990 /nfs/dbraw/zinc/83/19/90/527831990.db2.gz JJKPUOKUEHWDAG-NFAWXSAZSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1OCC ZINC000300414102 527866320 /nfs/dbraw/zinc/86/63/20/527866320.db2.gz JJKPUOKUEHWDAG-UMVBOHGHSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000300414415 527831168 /nfs/dbraw/zinc/83/11/68/527831168.db2.gz LLAKREPTXLRDEJ-NFAWXSAZSA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000300414416 387254787 /nfs/dbraw/zinc/25/47/87/387254787.db2.gz LLAKREPTXLRDEJ-UMVBOHGHSA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000300414862 592511760 /nfs/dbraw/zinc/51/17/60/592511760.db2.gz QCWISHIDRQVWBE-UXIGCNINSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1F ZINC000300414877 527866770 /nfs/dbraw/zinc/86/67/70/527866770.db2.gz QLSIWCVAHOZIDD-GPCCPHFNSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1F ZINC000300414878 527830746 /nfs/dbraw/zinc/83/07/46/527830746.db2.gz QLSIWCVAHOZIDD-RULNRJAQSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1OC ZINC000300415009 527831393 /nfs/dbraw/zinc/83/13/93/527831393.db2.gz QXRNOFJUABVMIP-BZPMIXESSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1OC ZINC000300415010 527866847 /nfs/dbraw/zinc/86/68/47/527866847.db2.gz QXRNOFJUABVMIP-YRGRVCCFSA-N 1 0 233.355 3.534 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000300415080 527831541 /nfs/dbraw/zinc/83/15/41/527831541.db2.gz SCKKPGFQORYARN-ONERCXAPSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000300415081 527868169 /nfs/dbraw/zinc/86/81/69/527868169.db2.gz SCKKPGFQORYARN-WKPIXPDZSA-N 1 0 233.330 3.591 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000300415447 527866994 /nfs/dbraw/zinc/86/69/94/527866994.db2.gz WCQZWQZRSUJFQE-XNRPHZJLSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000300415448 527830889 /nfs/dbraw/zinc/83/08/89/527830889.db2.gz WCQZWQZRSUJFQE-XPKDYRNWSA-N 1 0 247.382 3.925 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000300415815 346671355 /nfs/dbraw/zinc/67/13/55/346671355.db2.gz ZGZNQDYIAOBODF-NFAWXSAZSA-N 1 0 247.382 3.843 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000300415817 346671239 /nfs/dbraw/zinc/67/12/39/346671239.db2.gz ZGZNQDYIAOBODF-UMVBOHGHSA-N 1 0 247.382 3.843 10 0 BHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000300416721 529418770 /nfs/dbraw/zinc/41/87/70/529418770.db2.gz VSMFKJBGNDWCKR-CYZMBNFOSA-N 1 0 238.375 3.848 10 0 BHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000300416722 529683940 /nfs/dbraw/zinc/68/39/40/529683940.db2.gz VSMFKJBGNDWCKR-UHTWSYAYSA-N 1 0 238.375 3.848 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(F)c1F ZINC000300417418 527831854 /nfs/dbraw/zinc/83/18/54/527831854.db2.gz VCYPJYVEIRYAAK-BREBYQMCSA-N 1 0 239.309 3.804 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(F)c1F ZINC000300417421 527866469 /nfs/dbraw/zinc/86/64/69/527866469.db2.gz VCYPJYVEIRYAAK-GIPNMCIBSA-N 1 0 239.309 3.804 10 0 BHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC000300418217 357041776 /nfs/dbraw/zinc/04/17/76/357041776.db2.gz KINDGXSMZSTPME-JHJVBQTASA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC000300418218 357041403 /nfs/dbraw/zinc/04/14/03/357041403.db2.gz KINDGXSMZSTPME-UPJWGTAASA-N 1 0 236.359 3.602 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000300420232 527831385 /nfs/dbraw/zinc/83/13/85/527831385.db2.gz AFOQUXGTGQFIMQ-KYOSRNDESA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000300420233 527866859 /nfs/dbraw/zinc/86/68/59/527866859.db2.gz AFOQUXGTGQFIMQ-UXIGCNINSA-N 1 0 235.346 3.535 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420628 527831313 /nfs/dbraw/zinc/83/13/13/527831313.db2.gz NWEWMAVXJIICEQ-RHYQMDGZSA-N 1 0 249.320 3.886 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000300420629 527830785 /nfs/dbraw/zinc/83/07/85/527830785.db2.gz NWEWMAVXJIICEQ-WYUUTHIRSA-N 1 0 249.320 3.886 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000300515578 347183683 /nfs/dbraw/zinc/18/36/83/347183683.db2.gz CNMVXZAHUFOFNM-OLZOCXBDSA-N 1 0 239.309 3.902 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300581599 397995255 /nfs/dbraw/zinc/99/52/55/397995255.db2.gz KACOTARZBYIQHR-KCXAZCMYSA-N 1 0 245.366 3.548 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300581600 169441951 /nfs/dbraw/zinc/44/19/51/169441951.db2.gz KACOTARZBYIQHR-UHOFOFEASA-N 1 0 245.366 3.548 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000300581601 397995156 /nfs/dbraw/zinc/99/51/56/397995156.db2.gz KACOTARZBYIQHR-WQVCFCJDSA-N 1 0 245.366 3.548 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)o1 ZINC000300712104 168131113 /nfs/dbraw/zinc/13/11/13/168131113.db2.gz DOBKJLLQUJSRFB-BPNCWPANSA-N 1 0 248.370 3.626 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)o1 ZINC000300712106 168130895 /nfs/dbraw/zinc/13/08/95/168130895.db2.gz DOBKJLLQUJSRFB-GDLCADMTSA-N 1 0 248.370 3.626 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)o1 ZINC000300712108 168129306 /nfs/dbraw/zinc/12/93/06/168129306.db2.gz DOBKJLLQUJSRFB-LEWSCRJBSA-N 1 0 248.370 3.626 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)o1 ZINC000300712111 168130149 /nfs/dbraw/zinc/13/01/49/168130149.db2.gz DOBKJLLQUJSRFB-ZLKJLUDKSA-N 1 0 248.370 3.626 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C)CC2)o1 ZINC000300712914 411188957 /nfs/dbraw/zinc/18/89/57/411188957.db2.gz RRVOMZZEKGBFHD-DRZSPHRISA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)CC2)o1 ZINC000300712915 411189076 /nfs/dbraw/zinc/18/90/76/411189076.db2.gz RRVOMZZEKGBFHD-WCFLWFBJSA-N 1 0 236.359 3.602 10 0 BHAERO CC(C)(C)CCC[NH2+]CCc1ccccc1 ZINC000300783867 592519865 /nfs/dbraw/zinc/51/98/65/592519865.db2.gz VOFSAJMVDHTDNK-UHFFFAOYSA-N 1 0 219.372 3.645 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)o1 ZINC000301006946 226372871 /nfs/dbraw/zinc/37/28/71/226372871.db2.gz YBDFEYNGIUMGFX-AAEUAGOBSA-N 1 0 223.360 3.921 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(C)C)o1 ZINC000301006949 226372758 /nfs/dbraw/zinc/37/27/58/226372758.db2.gz YBDFEYNGIUMGFX-DGCLKSJQSA-N 1 0 223.360 3.921 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)o1 ZINC000301006952 226372858 /nfs/dbraw/zinc/37/28/58/226372858.db2.gz YBDFEYNGIUMGFX-WCQYABFASA-N 1 0 223.360 3.921 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(C)C)o1 ZINC000301006955 534226460 /nfs/dbraw/zinc/22/64/60/534226460.db2.gz YBDFEYNGIUMGFX-YPMHNXCESA-N 1 0 223.360 3.921 10 0 BHAERO CC(C)[C@@H](C)Nc1ccnc2ccsc21 ZINC000301337579 167388066 /nfs/dbraw/zinc/38/80/66/167388066.db2.gz DPYOJOSEVBEMBW-SECBINFHSA-N 1 0 220.341 3.753 10 0 BHAERO Cc1cc[nH+]c(NC[C@@H](C)c2ccsc2)c1 ZINC000301616886 384902786 /nfs/dbraw/zinc/90/27/86/384902786.db2.gz CDNXMLNZJGYOKE-LLVKDONJSA-N 1 0 232.352 3.667 10 0 BHAERO Cc1cc[nH+]c(NC[C@H](C)c2ccsc2)c1 ZINC000301616887 384904575 /nfs/dbraw/zinc/90/45/75/384904575.db2.gz CDNXMLNZJGYOKE-NSHDSACASA-N 1 0 232.352 3.667 10 0 BHAERO CSCCCNc1cc[nH+]c2c(C)cccc12 ZINC000301640084 386864073 /nfs/dbraw/zinc/86/40/73/386864073.db2.gz AZPILYJJXIGJEO-UHFFFAOYSA-N 1 0 246.379 3.708 10 0 BHAERO Cc1cccc2c(NCC(C)C)cc[nH+]c12 ZINC000301652866 179211041 /nfs/dbraw/zinc/21/10/41/179211041.db2.gz GYDANHXDZNUBPQ-UHFFFAOYSA-N 1 0 214.312 3.611 10 0 BHAERO Cc1cc[nH+]c(NC[C@@H](C)c2cccs2)c1 ZINC000301658400 384908657 /nfs/dbraw/zinc/90/86/57/384908657.db2.gz SRFGQBQLRHFLMX-LLVKDONJSA-N 1 0 232.352 3.667 10 0 BHAERO Cc1cc[nH+]c(NC[C@H](C)c2cccs2)c1 ZINC000301658402 384907801 /nfs/dbraw/zinc/90/78/01/384907801.db2.gz SRFGQBQLRHFLMX-NSHDSACASA-N 1 0 232.352 3.667 10 0 BHAERO Cc1cccc2c(N3C[C@H](C)[C@H](C)C3)cc[nH+]c12 ZINC000301662654 179211127 /nfs/dbraw/zinc/21/11/27/179211127.db2.gz KBYWGIUIWPRECX-BETUJISGSA-N 1 0 240.350 3.635 10 0 BHAERO Cc1cccc2c(N3C[C@@H](C)[C@H](C)C3)cc[nH+]c12 ZINC000301662656 179210154 /nfs/dbraw/zinc/21/01/54/179210154.db2.gz KBYWGIUIWPRECX-CHWSQXEVSA-N 1 0 240.350 3.635 10 0 BHAERO Cc1cccc2c(N3C[C@H](C)[C@@H](C)C3)cc[nH+]c12 ZINC000301662657 179211075 /nfs/dbraw/zinc/21/10/75/179211075.db2.gz KBYWGIUIWPRECX-STQMWFEESA-N 1 0 240.350 3.635 10 0 BHAERO Cc1cccc2c(N3CC[C@H](C)[C@@H]3C)cc[nH+]c12 ZINC000301663672 179210565 /nfs/dbraw/zinc/21/05/65/179210565.db2.gz KNMPARLDPOVTHW-AAEUAGOBSA-N 1 0 240.350 3.778 10 0 BHAERO Cc1cccc2c(N3CC[C@@H](C)[C@H]3C)cc[nH+]c12 ZINC000301663673 179210079 /nfs/dbraw/zinc/21/00/79/179210079.db2.gz KNMPARLDPOVTHW-DGCLKSJQSA-N 1 0 240.350 3.778 10 0 BHAERO Cc1cccc2c(N3CC[C@H](C)[C@H]3C)cc[nH+]c12 ZINC000301663674 179210150 /nfs/dbraw/zinc/21/01/50/179210150.db2.gz KNMPARLDPOVTHW-WCQYABFASA-N 1 0 240.350 3.778 10 0 BHAERO Cc1cccc2c(N3CC[C@@H](C)[C@@H]3C)cc[nH+]c12 ZINC000301663675 179210469 /nfs/dbraw/zinc/21/04/69/179210469.db2.gz KNMPARLDPOVTHW-YPMHNXCESA-N 1 0 240.350 3.778 10 0 BHAERO CC[C@@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301666171 171013972 /nfs/dbraw/zinc/01/39/72/171013972.db2.gz LQQBHWTUPCNUNQ-CYBMUJFWSA-N 1 0 240.350 3.780 10 0 BHAERO CC[C@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301666172 386866496 /nfs/dbraw/zinc/86/64/96/386866496.db2.gz LQQBHWTUPCNUNQ-ZDUSSCGKSA-N 1 0 240.350 3.780 10 0 BHAERO Cc1cccc2c(N3CCC(C)(C)C3)cc[nH+]c12 ZINC000301688193 179210939 /nfs/dbraw/zinc/21/09/39/179210939.db2.gz VKURVXRNWRPOHG-UHFFFAOYSA-N 1 0 240.350 3.780 10 0 BHAERO Cc1cccc2c(NC3CC=CC3)cc[nH+]c12 ZINC000301723706 179211185 /nfs/dbraw/zinc/21/11/85/179211185.db2.gz SMGMVKCEPRDYQF-UHFFFAOYSA-N 1 0 224.307 3.674 10 0 BHAERO Cc1cc2ccccc2c(NCC(C)C)[nH+]1 ZINC000302085287 178297099 /nfs/dbraw/zinc/29/70/99/178297099.db2.gz ZFGGHWXXLIXFHM-UHFFFAOYSA-N 1 0 214.312 3.611 10 0 BHAERO Cc1ccc2[nH+]ccc(N[C@H](C)C3CC3)c2c1 ZINC000302136273 386907481 /nfs/dbraw/zinc/90/74/81/386907481.db2.gz BDKRNKSJDJBASY-LLVKDONJSA-N 1 0 226.323 3.754 10 0 BHAERO Cc1ccc2[nH+]ccc(N[C@@H](C)C3CC3)c2c1 ZINC000302136274 386906565 /nfs/dbraw/zinc/90/65/65/386906565.db2.gz BDKRNKSJDJBASY-NSHDSACASA-N 1 0 226.323 3.754 10 0 BHAERO Cc1cc(N(C)[C@H](C)Cc2ccsc2)cc[nH+]1 ZINC000302537047 178100933 /nfs/dbraw/zinc/10/09/33/178100933.db2.gz FAHWPGNXNYYJMQ-GFCCVEGCSA-N 1 0 246.379 3.519 10 0 BHAERO Cc1cc(N(C)[C@@H](C)Cc2ccsc2)cc[nH+]1 ZINC000302537049 178101087 /nfs/dbraw/zinc/10/10/87/178101087.db2.gz FAHWPGNXNYYJMQ-LBPRGKRZSA-N 1 0 246.379 3.519 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000302623227 411344498 /nfs/dbraw/zinc/34/44/98/411344498.db2.gz BHICTZTXQJUSJB-OBCWZRDOSA-N 1 0 233.330 3.665 10 0 BHAERO CC(C)C([NH2+]C[C@@H]1Cc2ccccc21)C(C)C ZINC000302642629 490597923 /nfs/dbraw/zinc/59/79/23/490597923.db2.gz UCFUERJGPZHSMS-AWEZNQCLSA-N 1 0 231.383 3.597 10 0 BHAERO CC(C)C([NH2+]C[C@H]1Cc2ccccc21)C(C)C ZINC000302642631 490597840 /nfs/dbraw/zinc/59/78/40/490597840.db2.gz UCFUERJGPZHSMS-CQSZACIVSA-N 1 0 231.383 3.597 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(F)c1 ZINC000302685047 411497385 /nfs/dbraw/zinc/49/73/85/411497385.db2.gz RBEGXPGLEUHFHK-OBCWZRDOSA-N 1 0 233.330 3.665 10 0 BHAERO CC1CCC(C[NH2+]C[C@H]2CCCSC2)CC1 ZINC000304337225 168155552 /nfs/dbraw/zinc/15/55/52/168155552.db2.gz BCAPKKAFADZTJY-JXQTWKCFSA-N 1 0 241.444 3.546 10 0 BHAERO CC1CCC(C[NH2+]C[C@@H]2CCCSC2)CC1 ZINC000304337227 168155165 /nfs/dbraw/zinc/15/51/65/168155165.db2.gz BCAPKKAFADZTJY-RUXDESIVSA-N 1 0 241.444 3.546 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304348668 528427584 /nfs/dbraw/zinc/42/75/84/528427584.db2.gz PYZZSDWNOVOZSX-KBPBESRZSA-N 1 0 221.388 3.733 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304348669 527829835 /nfs/dbraw/zinc/82/98/35/527829835.db2.gz PYZZSDWNOVOZSX-KGLIPLIRSA-N 1 0 221.388 3.733 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304348670 528436747 /nfs/dbraw/zinc/43/67/47/528436747.db2.gz PYZZSDWNOVOZSX-UONOGXRCSA-N 1 0 221.388 3.733 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304348671 527867083 /nfs/dbraw/zinc/86/70/83/527867083.db2.gz PYZZSDWNOVOZSX-ZIAGYGMSSA-N 1 0 221.388 3.733 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+]CCCCCF)c1 ZINC000304373310 229349797 /nfs/dbraw/zinc/34/97/97/229349797.db2.gz JNEXRALZKUCURB-CYBMUJFWSA-N 1 0 223.335 3.785 10 0 BHAERO CCCCC[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000304414366 371787118 /nfs/dbraw/zinc/78/71/18/371787118.db2.gz CYHWXPWOINXABD-CYBMUJFWSA-N 1 0 216.328 3.748 10 0 BHAERO CCCCC[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000304414367 371787616 /nfs/dbraw/zinc/78/76/16/371787616.db2.gz CYHWXPWOINXABD-ZDUSSCGKSA-N 1 0 216.328 3.748 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+]CCCCCF ZINC000304424316 229350619 /nfs/dbraw/zinc/35/06/19/229350619.db2.gz RMOIADZTXWJZRO-CYBMUJFWSA-N 1 0 223.335 3.785 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+]CCCCCF ZINC000304424318 229350964 /nfs/dbraw/zinc/35/09/64/229350964.db2.gz RMOIADZTXWJZRO-ZDUSSCGKSA-N 1 0 223.335 3.785 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000304584586 411372659 /nfs/dbraw/zinc/37/26/59/411372659.db2.gz ONQLIUQOJKSZMO-QNWHQSFQSA-N 1 0 235.396 3.977 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000305115752 635948140 /nfs/dbraw/zinc/94/81/40/635948140.db2.gz IIRLYOPMPHCGTH-BBRMVZONSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000305115753 642642136 /nfs/dbraw/zinc/64/21/36/642642136.db2.gz IIRLYOPMPHCGTH-CJNGLKHVSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000305115754 642641896 /nfs/dbraw/zinc/64/18/96/642641896.db2.gz IIRLYOPMPHCGTH-CZUORRHYSA-N 1 0 240.350 3.513 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000305115755 642643066 /nfs/dbraw/zinc/64/30/66/642643066.db2.gz IIRLYOPMPHCGTH-XJKSGUPXSA-N 1 0 240.350 3.513 10 0 BHAERO CC1CCC(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000305899421 168155131 /nfs/dbraw/zinc/15/51/31/168155131.db2.gz PROFANOLMKSMRB-BPCQOVAHSA-N 1 0 245.357 3.838 10 0 BHAERO CC1CCC(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000305899422 168155658 /nfs/dbraw/zinc/15/56/58/168155658.db2.gz PROFANOLMKSMRB-WXRRBKDZSA-N 1 0 245.357 3.838 10 0 BHAERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000305926776 187389271 /nfs/dbraw/zinc/38/92/71/187389271.db2.gz IYQPLEDHUGZGLY-DZGCQCFKSA-N 1 0 247.382 3.782 10 0 BHAERO CC(C)C[C@@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000305926777 387667555 /nfs/dbraw/zinc/66/75/55/387667555.db2.gz IYQPLEDHUGZGLY-HIFRSBDPSA-N 1 0 247.382 3.782 10 0 BHAERO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000305926778 387667294 /nfs/dbraw/zinc/66/72/94/387667294.db2.gz IYQPLEDHUGZGLY-UKRRQHHQSA-N 1 0 247.382 3.782 10 0 BHAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000305926779 387667394 /nfs/dbraw/zinc/66/73/94/387667394.db2.gz IYQPLEDHUGZGLY-ZFWWWQNUSA-N 1 0 247.382 3.782 10 0 BHAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000306117258 411433994 /nfs/dbraw/zinc/43/39/94/411433994.db2.gz WQFNZIBVOMUNCK-WXYCVUISSA-N 1 0 247.357 3.535 10 0 BHAERO CC(C)(C)[C@](F)(C[NH3+])c1ccsc1Cl ZINC000306160847 358966212 /nfs/dbraw/zinc/96/62/12/358966212.db2.gz FKZNQBGYXALYPG-JTQLQIEISA-N 1 0 235.755 3.571 10 0 BHAERO CC(C)(C)[C@@](F)(C[NH3+])c1ccsc1Cl ZINC000306160849 358966148 /nfs/dbraw/zinc/96/61/48/358966148.db2.gz FKZNQBGYXALYPG-SNVBAGLBSA-N 1 0 235.755 3.571 10 0 BHAERO [NH3+]Cc1sccc1-c1ccsc1Cl ZINC000306181055 358996810 /nfs/dbraw/zinc/99/68/10/358996810.db2.gz CAOIPCYSOQFILZ-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+][C@@H](c1ccsc1Cl)C1CCCC1 ZINC000306188227 359004471 /nfs/dbraw/zinc/00/44/71/359004471.db2.gz CKSXGLWJTCLNBX-SECBINFHSA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@H](c1ccsc1Cl)C1CCCC1 ZINC000306188228 359004650 /nfs/dbraw/zinc/00/46/50/359004650.db2.gz CKSXGLWJTCLNBX-VIFPVBQESA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@H](c1ccoc1Cl)c1ccsc1Cl ZINC000306203824 352992965 /nfs/dbraw/zinc/99/29/65/352992965.db2.gz NAOCMMZNDXXRTL-SSDOTTSWSA-N 1 0 248.134 3.696 10 0 BHAERO [NH3+][C@@H](c1ccoc1Cl)c1ccsc1Cl ZINC000306203827 359293798 /nfs/dbraw/zinc/29/37/98/359293798.db2.gz NAOCMMZNDXXRTL-ZETCQYMHSA-N 1 0 248.134 3.696 10 0 BHAERO CSC(C)(C)[C@H]([NH3+])c1ccsc1Cl ZINC000306209492 359301139 /nfs/dbraw/zinc/30/11/39/359301139.db2.gz STMNNASJJLKXTP-SSDOTTSWSA-N 1 0 235.805 3.543 10 0 BHAERO CSC(C)(C)[C@@H]([NH3+])c1ccsc1Cl ZINC000306209494 359301074 /nfs/dbraw/zinc/30/10/74/359301074.db2.gz STMNNASJJLKXTP-ZETCQYMHSA-N 1 0 235.805 3.543 10 0 BHAERO CC1(C)C[NH2+][C@H]1c1cc(Cl)cc(Cl)c1 ZINC000306214352 359316089 /nfs/dbraw/zinc/31/60/89/359316089.db2.gz YMAAASONKLUOSF-JTQLQIEISA-N 1 0 230.138 3.664 10 0 BHAERO CC1(C)C[NH2+][C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000306214353 359315855 /nfs/dbraw/zinc/31/58/55/359315855.db2.gz YMAAASONKLUOSF-SNVBAGLBSA-N 1 0 230.138 3.664 10 0 BHAERO C[NH2+][C@@H]1CCSc2cc(Cl)cc(Cl)c21 ZINC000306216262 359322707 /nfs/dbraw/zinc/32/27/07/359322707.db2.gz ITVVRGWDIQVSGZ-MRVPVSSYSA-N 1 0 248.178 3.750 10 0 BHAERO C[NH2+][C@H]1CCSc2cc(Cl)cc(Cl)c21 ZINC000306216268 359322267 /nfs/dbraw/zinc/32/22/67/359322267.db2.gz ITVVRGWDIQVSGZ-QMMMGPOBSA-N 1 0 248.178 3.750 10 0 BHAERO C/C(=C\c1cc(Cl)sc1Cl)[C@@H](C)[NH3+] ZINC000306219745 352996233 /nfs/dbraw/zinc/99/62/33/352996233.db2.gz UAMGRLNIFYCXIW-MXTDHUQFSA-N 1 0 236.167 3.805 10 0 BHAERO C/C(=C\c1cc(Cl)sc1Cl)[C@H](C)[NH3+] ZINC000306219746 352996648 /nfs/dbraw/zinc/99/66/48/352996648.db2.gz UAMGRLNIFYCXIW-QVQDZQDPSA-N 1 0 236.167 3.805 10 0 BHAERO Clc1cc(C2CC[NH2+]CC2)c(Cl)s1 ZINC000306220042 359338662 /nfs/dbraw/zinc/33/86/62/359338662.db2.gz HHFDJPWXCXSQKE-UHFFFAOYSA-N 1 0 236.167 3.522 10 0 BHAERO C[NH2+][C@@H](c1cc(C)ccc1Cl)C(C)C ZINC000306231782 359381661 /nfs/dbraw/zinc/38/16/61/359381661.db2.gz HWZYHGLFZFFSQZ-GFCCVEGCSA-N 1 0 211.736 3.565 10 0 BHAERO C[NH2+][C@H](c1cc(C)ccc1Cl)C(C)C ZINC000306231789 359381479 /nfs/dbraw/zinc/38/14/79/359381479.db2.gz HWZYHGLFZFFSQZ-LBPRGKRZSA-N 1 0 211.736 3.565 10 0 BHAERO [NH3+][C@H](c1ccsc1)c1ccsc1Cl ZINC000306235509 359394094 /nfs/dbraw/zinc/39/40/94/359394094.db2.gz NQZWERNRCWNOBZ-MRVPVSSYSA-N 1 0 229.757 3.511 10 0 BHAERO [NH3+][C@@H](c1ccsc1)c1ccsc1Cl ZINC000306235510 359394037 /nfs/dbraw/zinc/39/40/37/359394037.db2.gz NQZWERNRCWNOBZ-QMMMGPOBSA-N 1 0 229.757 3.511 10 0 BHAERO C[C@H]1C[C@@H](c2cc(Cl)sc2Cl)C[NH2+]1 ZINC000306239106 359398552 /nfs/dbraw/zinc/39/85/52/359398552.db2.gz PYFZFZRZPFVZLS-NTSWFWBYSA-N 1 0 236.167 3.520 10 0 BHAERO C[C@@H]1C[C@@H](c2cc(Cl)sc2Cl)C[NH2+]1 ZINC000306239113 359397900 /nfs/dbraw/zinc/39/79/00/359397900.db2.gz PYFZFZRZPFVZLS-PHDIDXHHSA-N 1 0 236.167 3.520 10 0 BHAERO C[C@@H]1C[C@H](c2cc(Cl)sc2Cl)C[NH2+]1 ZINC000306239117 359398443 /nfs/dbraw/zinc/39/84/43/359398443.db2.gz PYFZFZRZPFVZLS-RITPCOANSA-N 1 0 236.167 3.520 10 0 BHAERO C[C@H]1C[C@H](c2cc(Cl)sc2Cl)C[NH2+]1 ZINC000306239128 359398407 /nfs/dbraw/zinc/39/84/07/359398407.db2.gz PYFZFZRZPFVZLS-WDSKDSINSA-N 1 0 236.167 3.520 10 0 BHAERO CCC(C)(C)[C@H]([NH3+])c1ccsc1Cl ZINC000306242691 372003200 /nfs/dbraw/zinc/00/32/00/372003200.db2.gz SKRYTPCJNSUXDZ-MRVPVSSYSA-N 1 0 217.765 3.838 10 0 BHAERO CCC(C)(C)[C@@H]([NH3+])c1ccsc1Cl ZINC000306242692 372002824 /nfs/dbraw/zinc/00/28/24/372002824.db2.gz SKRYTPCJNSUXDZ-QMMMGPOBSA-N 1 0 217.765 3.838 10 0 BHAERO C[C@]1([C@H]([NH3+])c2ccsc2Cl)CCCS1 ZINC000306242767 359426312 /nfs/dbraw/zinc/42/63/12/359426312.db2.gz SRIGFYHXNULQLQ-PSASIEDQSA-N 1 0 247.816 3.687 10 0 BHAERO C[C@@]1([C@H]([NH3+])c2ccsc2Cl)CCCS1 ZINC000306242768 359426206 /nfs/dbraw/zinc/42/62/06/359426206.db2.gz SRIGFYHXNULQLQ-SCZZXKLOSA-N 1 0 247.816 3.687 10 0 BHAERO C[C@]1([C@@H]([NH3+])c2ccsc2Cl)CCCS1 ZINC000306242770 359425883 /nfs/dbraw/zinc/42/58/83/359425883.db2.gz SRIGFYHXNULQLQ-WCBMZHEXSA-N 1 0 247.816 3.687 10 0 BHAERO C[C@@]1([C@@H]([NH3+])c2ccsc2Cl)CCCS1 ZINC000306242771 359425844 /nfs/dbraw/zinc/42/58/44/359425844.db2.gz SRIGFYHXNULQLQ-WPRPVWTQSA-N 1 0 247.816 3.687 10 0 BHAERO CC(C)Sc1cccc(Cl)c1[C@H](C)[NH3+] ZINC000306262365 359483120 /nfs/dbraw/zinc/48/31/20/359483120.db2.gz XNBDLLSMVZJJFS-QMMMGPOBSA-N 1 0 229.776 3.860 10 0 BHAERO C[C@H](C[NH3+])[C@H](F)c1cccc(Cl)c1Cl ZINC000306306499 359588303 /nfs/dbraw/zinc/58/83/03/359588303.db2.gz FFDHESYTOINAQK-LDWIPMOCSA-N 1 0 236.117 3.599 10 0 BHAERO C[C@H](C[NH3+])[C@@H](F)c1cccc(Cl)c1Cl ZINC000306306501 359588278 /nfs/dbraw/zinc/58/82/78/359588278.db2.gz FFDHESYTOINAQK-LHLIQPBNSA-N 1 0 236.117 3.599 10 0 BHAERO C[C@@H](C[NH3+])[C@@H](F)c1cccc(Cl)c1Cl ZINC000306306504 359588307 /nfs/dbraw/zinc/58/83/07/359588307.db2.gz FFDHESYTOINAQK-QUBYGPBYSA-N 1 0 236.117 3.599 10 0 BHAERO C[C@@H](C[NH3+])[C@H](F)c1cccc(Cl)c1Cl ZINC000306306506 359588319 /nfs/dbraw/zinc/58/83/19/359588319.db2.gz FFDHESYTOINAQK-WKEGUHRASA-N 1 0 236.117 3.599 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000306336267 385998668 /nfs/dbraw/zinc/99/86/68/385998668.db2.gz GTFOJHHUWHNQNQ-CAHLUQPWSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000306336269 387527368 /nfs/dbraw/zinc/52/73/68/387527368.db2.gz GTFOJHHUWHNQNQ-FSPLSTOPSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000306336271 387527610 /nfs/dbraw/zinc/52/76/10/387527610.db2.gz GTFOJHHUWHNQNQ-IYSWYEEDSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000306336273 384671600 /nfs/dbraw/zinc/67/16/00/384671600.db2.gz GTFOJHHUWHNQNQ-VDTYLAMSSA-N 1 0 236.167 3.553 10 0 BHAERO Clc1sccc1[C@H]1CCCCC[NH2+]1 ZINC000306350936 359679575 /nfs/dbraw/zinc/67/95/75/359679575.db2.gz NWPZOZSDOSHRCT-SECBINFHSA-N 1 0 215.749 3.606 10 0 BHAERO Clc1sccc1[C@@H]1CCCCC[NH2+]1 ZINC000306350937 359679483 /nfs/dbraw/zinc/67/94/83/359679483.db2.gz NWPZOZSDOSHRCT-VIFPVBQESA-N 1 0 215.749 3.606 10 0 BHAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306356241 353006793 /nfs/dbraw/zinc/00/67/93/353006793.db2.gz SPRCQBWLYJRLFV-HCWXCVPCSA-N 1 0 236.167 3.506 10 0 BHAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306356242 359683394 /nfs/dbraw/zinc/68/33/94/359683394.db2.gz SPRCQBWLYJRLFV-JKUQZMGJSA-N 1 0 236.167 3.506 10 0 BHAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306356243 359683224 /nfs/dbraw/zinc/68/32/24/359683224.db2.gz SPRCQBWLYJRLFV-KVQBGUIXSA-N 1 0 236.167 3.506 10 0 BHAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306356244 359683412 /nfs/dbraw/zinc/68/34/12/359683412.db2.gz SPRCQBWLYJRLFV-ZLUOBGJFSA-N 1 0 236.167 3.506 10 0 BHAERO CC1(C)[C@@H]([NH3+])[C@@H]1c1cc(Cl)sc1Cl ZINC000306357818 359684283 /nfs/dbraw/zinc/68/42/83/359684283.db2.gz XVNZRVLMPZMRRP-BQBZGAKWSA-N 1 0 236.167 3.506 10 0 BHAERO CC1(C)[C@H]([NH3+])[C@@H]1c1cc(Cl)sc1Cl ZINC000306357819 359683970 /nfs/dbraw/zinc/68/39/70/359683970.db2.gz XVNZRVLMPZMRRP-NKWVEPMBSA-N 1 0 236.167 3.506 10 0 BHAERO CC1(C)[C@H]([NH3+])[C@H]1c1cc(Cl)sc1Cl ZINC000306357820 359684090 /nfs/dbraw/zinc/68/40/90/359684090.db2.gz XVNZRVLMPZMRRP-RNFRBKRXSA-N 1 0 236.167 3.506 10 0 BHAERO CC1(C)[C@H](c2cc(Cl)sc2Cl)[C@@H]1[NH3+] ZINC000306357821 359684053 /nfs/dbraw/zinc/68/40/53/359684053.db2.gz XVNZRVLMPZMRRP-RQJHMYQMSA-N 1 0 236.167 3.506 10 0 BHAERO CC1([NH2+]Cc2ccccc2)CCCCCC1 ZINC000306383176 359735394 /nfs/dbraw/zinc/73/53/94/359735394.db2.gz QDGPBEWMMQVLPH-UHFFFAOYSA-N 1 0 217.356 3.889 10 0 BHAERO c1cc2c(s1)[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000306401573 359784457 /nfs/dbraw/zinc/78/44/57/359784457.db2.gz OVCUMCXRXSSJHZ-CYBMUJFWSA-N 1 0 229.348 3.525 10 0 BHAERO c1cc2c(s1)[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000306401575 359784743 /nfs/dbraw/zinc/78/47/43/359784743.db2.gz OVCUMCXRXSSJHZ-ZDUSSCGKSA-N 1 0 229.348 3.525 10 0 BHAERO [NH3+][C@H](c1csc(Cl)c1)C1=CCCC1 ZINC000306411537 359819605 /nfs/dbraw/zinc/81/96/05/359819605.db2.gz OVMGJXSDIAOVNZ-JTQLQIEISA-N 1 0 213.733 3.512 10 0 BHAERO [NH3+][C@@H](c1csc(Cl)c1)C1=CCCC1 ZINC000306411538 359819659 /nfs/dbraw/zinc/81/96/59/359819659.db2.gz OVMGJXSDIAOVNZ-SNVBAGLBSA-N 1 0 213.733 3.512 10 0 BHAERO CC(C)([NH3+])[C@H](F)c1cccc(Cl)c1Cl ZINC000306448584 353015639 /nfs/dbraw/zinc/01/56/39/353015639.db2.gz XBDNZIUDEIZOLT-SECBINFHSA-N 1 0 236.117 3.741 10 0 BHAERO CC(C)([NH3+])[C@@H](F)c1cccc(Cl)c1Cl ZINC000306448585 360024186 /nfs/dbraw/zinc/02/41/86/360024186.db2.gz XBDNZIUDEIZOLT-VIFPVBQESA-N 1 0 236.117 3.741 10 0 BHAERO Cc1ccsc1[C@@H]([NH3+])CC1(C)CCC1 ZINC000306449534 360017107 /nfs/dbraw/zinc/01/71/07/360017107.db2.gz AOHMLRRIYSWPSK-JTQLQIEISA-N 1 0 209.358 3.637 10 0 BHAERO Cc1ccsc1[C@H]([NH3+])CC1(C)CCC1 ZINC000306449536 360017289 /nfs/dbraw/zinc/01/72/89/360017289.db2.gz AOHMLRRIYSWPSK-SNVBAGLBSA-N 1 0 209.358 3.637 10 0 BHAERO [NH3+][C@@H](CC1CCCC1)c1csc(Cl)c1 ZINC000306478064 353018005 /nfs/dbraw/zinc/01/80/05/353018005.db2.gz ZCEYWEGTASJIAQ-JTQLQIEISA-N 1 0 229.776 3.982 10 0 BHAERO [NH3+][C@H](CC1CCCC1)c1csc(Cl)c1 ZINC000306478066 360124822 /nfs/dbraw/zinc/12/48/22/360124822.db2.gz ZCEYWEGTASJIAQ-SNVBAGLBSA-N 1 0 229.776 3.982 10 0 BHAERO CC(C)(F)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000306499209 372026256 /nfs/dbraw/zinc/02/62/56/372026256.db2.gz IJBBKDQTIIIQGR-SECBINFHSA-N 1 0 236.117 3.741 10 0 BHAERO CC(C)(F)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000306499210 372026321 /nfs/dbraw/zinc/02/63/21/372026321.db2.gz IJBBKDQTIIIQGR-VIFPVBQESA-N 1 0 236.117 3.741 10 0 BHAERO C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000306501108 360296050 /nfs/dbraw/zinc/29/60/50/360296050.db2.gz QOWRGYWZWUOUNH-LURJTMIESA-N 1 0 236.167 3.652 10 0 BHAERO C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000306501109 360296534 /nfs/dbraw/zinc/29/65/34/360296534.db2.gz QOWRGYWZWUOUNH-ZCFIWIBFSA-N 1 0 236.167 3.652 10 0 BHAERO C[C@H]1C[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000306514533 177386174 /nfs/dbraw/zinc/38/61/74/177386174.db2.gz USVSYYJLJMHHPO-CAHLUQPWSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@H]1C[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000306514535 177350089 /nfs/dbraw/zinc/35/00/89/177350089.db2.gz USVSYYJLJMHHPO-FSPLSTOPSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000306514537 385047229 /nfs/dbraw/zinc/04/72/29/385047229.db2.gz USVSYYJLJMHHPO-IYSWYEEDSA-N 1 0 236.167 3.553 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000306514539 385048127 /nfs/dbraw/zinc/04/81/27/385048127.db2.gz USVSYYJLJMHHPO-VDTYLAMSSA-N 1 0 236.167 3.553 10 0 BHAERO [NH3+]Cc1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000306544710 360415771 /nfs/dbraw/zinc/41/57/71/360415771.db2.gz YVGYHLGPYDZACU-UHFFFAOYSA-N 1 0 244.936 3.759 10 0 BHAERO Cc1ccc([C@H]([NH3+])CC2=CCCC2)s1 ZINC000306577703 387437917 /nfs/dbraw/zinc/43/79/17/387437917.db2.gz LLBUSNVDFODETE-LLVKDONJSA-N 1 0 207.342 3.557 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CC2=CCCC2)s1 ZINC000306577704 387437626 /nfs/dbraw/zinc/43/76/26/387437626.db2.gz LLBUSNVDFODETE-NSHDSACASA-N 1 0 207.342 3.557 10 0 BHAERO Cc1cc([C@@H]([NH3+])C2(C)CC2)sc1Cl ZINC000306603751 360531793 /nfs/dbraw/zinc/53/17/93/360531793.db2.gz DODHPZFTJSERFS-MRVPVSSYSA-N 1 0 215.749 3.510 10 0 BHAERO Cc1cc([C@H]([NH3+])C2(C)CC2)sc1Cl ZINC000306603753 360532435 /nfs/dbraw/zinc/53/24/35/360532435.db2.gz DODHPZFTJSERFS-QMMMGPOBSA-N 1 0 215.749 3.510 10 0 BHAERO Cc1cccc(Cl)c1[C@H]([NH3+])CC(C)C ZINC000306605325 353029093 /nfs/dbraw/zinc/02/90/93/353029093.db2.gz FWGJVJQGRJUCTF-LLVKDONJSA-N 1 0 211.736 3.694 10 0 BHAERO [NH3+][C@H](c1csc(Cl)c1)C1CCCC1 ZINC000306620728 388010851 /nfs/dbraw/zinc/01/08/51/388010851.db2.gz XQONBKMFCPUCKG-JTQLQIEISA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@@H](c1csc(Cl)c1)C1CCCC1 ZINC000306620729 388010959 /nfs/dbraw/zinc/01/09/59/388010959.db2.gz XQONBKMFCPUCKG-SNVBAGLBSA-N 1 0 215.749 3.592 10 0 BHAERO C[C@@H]([NH2+]C1CC1)c1cc2sccc2s1 ZINC000306620839 361232582 /nfs/dbraw/zinc/23/25/82/361232582.db2.gz YGVSYSZKPSTVCR-SSDOTTSWSA-N 1 0 223.366 3.776 10 0 BHAERO C[C@H]([NH2+]C1CC1)c1cc2sccc2s1 ZINC000306620840 361232288 /nfs/dbraw/zinc/23/22/88/361232288.db2.gz YGVSYSZKPSTVCR-ZETCQYMHSA-N 1 0 223.366 3.776 10 0 BHAERO CCc1cc(C)sc1[C@@H]([NH3+])C(C)(C)C ZINC000306636946 361454914 /nfs/dbraw/zinc/45/49/14/361454914.db2.gz BGKQUKYLSUGXJU-LLVKDONJSA-N 1 0 211.374 3.665 10 0 BHAERO CCc1cc(C)sc1[C@H]([NH3+])C(C)(C)C ZINC000306636950 361454849 /nfs/dbraw/zinc/45/48/49/361454849.db2.gz BGKQUKYLSUGXJU-NSHDSACASA-N 1 0 211.374 3.665 10 0 BHAERO Clc1sccc1NC1=NCCCCC1 ZINC000306642308 361759311 /nfs/dbraw/zinc/75/93/11/361759311.db2.gz SKPWHMAKQFSYPE-UHFFFAOYSA-N 1 0 228.748 3.786 10 0 BHAERO C[C@H](c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000306648429 344337271 /nfs/dbraw/zinc/33/72/71/344337271.db2.gz CKAAUZXGYUOBOL-SSDOTTSWSA-N 1 0 218.127 3.616 10 0 BHAERO C[C@@H](c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000306648431 344337117 /nfs/dbraw/zinc/33/71/17/344337117.db2.gz CKAAUZXGYUOBOL-ZETCQYMHSA-N 1 0 218.127 3.616 10 0 BHAERO [NH3+][C@H](CC1CCC1)c1ccsc1Cl ZINC000306728009 350898412 /nfs/dbraw/zinc/89/84/12/350898412.db2.gz NDNNVRMPJVWTPW-SECBINFHSA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@@H](CC1CCC1)c1ccsc1Cl ZINC000306728010 350898755 /nfs/dbraw/zinc/89/87/55/350898755.db2.gz NDNNVRMPJVWTPW-VIFPVBQESA-N 1 0 215.749 3.592 10 0 BHAERO [NH3+][C@@H](c1csc(Cl)c1)C1=CCCCC1 ZINC000306728274 350898814 /nfs/dbraw/zinc/89/88/14/350898814.db2.gz NGIBYSWYVWOAIX-LLVKDONJSA-N 1 0 227.760 3.902 10 0 BHAERO [NH3+][C@H](c1csc(Cl)c1)C1=CCCCC1 ZINC000306728275 350898476 /nfs/dbraw/zinc/89/84/76/350898476.db2.gz NGIBYSWYVWOAIX-NSHDSACASA-N 1 0 227.760 3.902 10 0 BHAERO CCC1CCC([NH3+])(C[Si](C)(C)C)CC1 ZINC000306731826 353036715 /nfs/dbraw/zinc/03/67/15/353036715.db2.gz GQWUSBRNSJITRK-UHFFFAOYSA-N 1 0 213.441 3.622 10 0 BHAERO [NH3+]C1(c2ccsc2Cl)CCCCCC1 ZINC000306732960 350902664 /nfs/dbraw/zinc/90/26/64/350902664.db2.gz SMPONOWBNGUQRI-UHFFFAOYSA-N 1 0 229.776 3.910 10 0 BHAERO [NH3+][C@H](Cc1csc(Cl)c1)c1ccsc1 ZINC000306737063 398185603 /nfs/dbraw/zinc/18/56/03/398185603.db2.gz YMBYLYJWTKXTQP-SECBINFHSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1csc(Cl)c1)c1ccsc1 ZINC000306737064 398185799 /nfs/dbraw/zinc/18/57/99/398185799.db2.gz YMBYLYJWTKXTQP-VIFPVBQESA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+]C1(Cc2csc(Cl)c2)CCCCC1 ZINC000306769874 350999544 /nfs/dbraw/zinc/99/95/44/350999544.db2.gz BIVLPRIPVFIRHT-UHFFFAOYSA-N 1 0 229.776 3.606 10 0 BHAERO C[NH2+][C@@H](c1cc(C)cs1)C1CCCC1 ZINC000306771547 351007894 /nfs/dbraw/zinc/00/78/94/351007894.db2.gz CMEGYHLAHZCETD-GFCCVEGCSA-N 1 0 209.358 3.507 10 0 BHAERO C[NH2+][C@H](c1cc(C)cs1)C1CCCC1 ZINC000306771548 351007906 /nfs/dbraw/zinc/00/79/06/351007906.db2.gz CMEGYHLAHZCETD-LBPRGKRZSA-N 1 0 209.358 3.507 10 0 BHAERO [NH3+][C@H](c1ccsc1)c1csc(Cl)c1 ZINC000306795715 351043735 /nfs/dbraw/zinc/04/37/35/351043735.db2.gz IVXMAYAWQSFREG-SECBINFHSA-N 1 0 229.757 3.511 10 0 BHAERO [NH3+][C@@H](c1ccsc1)c1csc(Cl)c1 ZINC000306795716 351043548 /nfs/dbraw/zinc/04/35/48/351043548.db2.gz IVXMAYAWQSFREG-VIFPVBQESA-N 1 0 229.757 3.511 10 0 BHAERO C[C@@H]1CSc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000306817452 351082906 /nfs/dbraw/zinc/08/29/06/351082906.db2.gz DVMAVICXADRMCA-FWOIEVBISA-N 1 0 248.178 3.735 10 0 BHAERO C[C@@H]1CSc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000306817456 398206333 /nfs/dbraw/zinc/20/63/33/398206333.db2.gz DVMAVICXADRMCA-GPXNAGAYSA-N 1 0 248.178 3.735 10 0 BHAERO C[C@H]1CSc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000306817461 398206418 /nfs/dbraw/zinc/20/64/18/398206418.db2.gz DVMAVICXADRMCA-RRAGMBSWSA-N 1 0 248.178 3.735 10 0 BHAERO C[C@H]1CSc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000306817464 398205911 /nfs/dbraw/zinc/20/59/11/398205911.db2.gz DVMAVICXADRMCA-XUOSJQGZSA-N 1 0 248.178 3.735 10 0 BHAERO CCC(=[NH2+])Nc1cccc2ccsc21 ZINC000306886628 351293118 /nfs/dbraw/zinc/29/31/18/351293118.db2.gz SUFQVLIUMOJHOV-UHFFFAOYSA-N 1 0 204.298 3.700 10 0 BHAERO [NH3+][C@H](Cc1sccc1Cl)c1ccsc1 ZINC000306896461 351308966 /nfs/dbraw/zinc/30/89/66/351308966.db2.gz PVQBQUCVKJNHFC-SECBINFHSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1sccc1Cl)c1ccsc1 ZINC000306896462 351308891 /nfs/dbraw/zinc/30/88/91/351308891.db2.gz PVQBQUCVKJNHFC-VIFPVBQESA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+]Cc1cc(C2CCCC2)sc1Cl ZINC000307018722 353050119 /nfs/dbraw/zinc/05/01/19/353050119.db2.gz XJFNHLCEFDMCTP-UHFFFAOYSA-N 1 0 215.749 3.518 10 0 BHAERO N#[N+]c1cc(Cl)ccc1OC(F)(F)F ZINC000307023510 351427545 /nfs/dbraw/zinc/42/75/45/351427545.db2.gz VKZGMFMIDZUMBJ-UHFFFAOYSA-N 1 0 223.561 3.723 10 0 BHAERO Cc1cccc(Cl)c1[C@@H]([NH3+])CC(C)C ZINC000307058375 385884326 /nfs/dbraw/zinc/88/43/26/385884326.db2.gz FWGJVJQGRJUCTF-NSHDSACASA-N 1 0 211.736 3.694 10 0 BHAERO C[C@@H]([C@@H]([NH3+])c1sccc1Cl)C(C)(F)F ZINC000307068919 351463316 /nfs/dbraw/zinc/46/33/16/351463316.db2.gz YFBBBGKNOQVTEV-CAHLUQPWSA-N 1 0 239.718 3.693 10 0 BHAERO C[C@@H]([C@H]([NH3+])c1sccc1Cl)C(C)(F)F ZINC000307068920 351463396 /nfs/dbraw/zinc/46/33/96/351463396.db2.gz YFBBBGKNOQVTEV-FSPLSTOPSA-N 1 0 239.718 3.693 10 0 BHAERO C[C@H]([C@@H]([NH3+])c1sccc1Cl)C(C)(F)F ZINC000307068921 351463469 /nfs/dbraw/zinc/46/34/69/351463469.db2.gz YFBBBGKNOQVTEV-IYSWYEEDSA-N 1 0 239.718 3.693 10 0 BHAERO C[C@H]([C@H]([NH3+])c1sccc1Cl)C(C)(F)F ZINC000307068922 351463411 /nfs/dbraw/zinc/46/34/11/351463411.db2.gz YFBBBGKNOQVTEV-VDTYLAMSSA-N 1 0 239.718 3.693 10 0 BHAERO C[C@H](c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000307166827 351538171 /nfs/dbraw/zinc/53/81/71/351538171.db2.gz QCFISJLSXVDNGH-SSDOTTSWSA-N 1 0 215.749 3.557 10 0 BHAERO C[C@@H](c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000307166833 351538454 /nfs/dbraw/zinc/53/84/54/351538454.db2.gz QCFISJLSXVDNGH-ZETCQYMHSA-N 1 0 215.749 3.557 10 0 BHAERO [NH3+]Cc1csc(-c2sccc2Cl)c1 ZINC000307178842 351565534 /nfs/dbraw/zinc/56/55/34/351565534.db2.gz ZNRBFECCUKOHTM-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO CC1([C@H]([NH3+])c2cc(Cl)sc2Cl)CC1 ZINC000307180546 372094033 /nfs/dbraw/zinc/09/40/33/372094033.db2.gz LOFUEIPGDDTGOX-SSDOTTSWSA-N 1 0 236.167 3.855 10 0 BHAERO CC1([C@@H]([NH3+])c2cc(Cl)sc2Cl)CC1 ZINC000307180547 372094348 /nfs/dbraw/zinc/09/43/48/372094348.db2.gz LOFUEIPGDDTGOX-ZETCQYMHSA-N 1 0 236.167 3.855 10 0 BHAERO [NH3+][C@H](Cc1ccsc1)c1ccsc1Cl ZINC000307346721 352101285 /nfs/dbraw/zinc/10/12/85/352101285.db2.gz LZKYHALEPXFNHN-SECBINFHSA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+][C@@H](Cc1ccsc1)c1ccsc1Cl ZINC000307346722 352101261 /nfs/dbraw/zinc/10/12/61/352101261.db2.gz LZKYHALEPXFNHN-VIFPVBQESA-N 1 0 243.784 3.706 10 0 BHAERO [NH3+]Cc1csc(-c2ccsc2Cl)c1 ZINC000307444436 352598968 /nfs/dbraw/zinc/59/89/68/352598968.db2.gz DLLPUYPLKRBMSF-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+]Cc1ccc(-c2ccsc2Cl)s1 ZINC000307455700 352608816 /nfs/dbraw/zinc/60/88/16/352608816.db2.gz DJHUNTXXQORNFO-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO [NH3+]C1(Cc2sccc2Cl)CCCCC1 ZINC000307455701 352609097 /nfs/dbraw/zinc/60/90/97/352609097.db2.gz DJHVZHLVORHQBM-UHFFFAOYSA-N 1 0 229.776 3.606 10 0 BHAERO Clc1cc([C@H]2CCCCC[NH2+]2)cs1 ZINC000307488504 398171416 /nfs/dbraw/zinc/17/14/16/398171416.db2.gz OMKWQLJAOXYSDB-SECBINFHSA-N 1 0 215.749 3.606 10 0 BHAERO Clc1cc([C@@H]2CCCCC[NH2+]2)cs1 ZINC000307488510 398171444 /nfs/dbraw/zinc/17/14/44/398171444.db2.gz OMKWQLJAOXYSDB-VIFPVBQESA-N 1 0 215.749 3.606 10 0 BHAERO CC(C)(F)[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000307533079 352639347 /nfs/dbraw/zinc/63/93/47/352639347.db2.gz MOCBPDJXHGCWDT-LURJTMIESA-N 1 0 242.146 3.803 10 0 BHAERO CC(C)(F)[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000307533084 352639139 /nfs/dbraw/zinc/63/91/39/352639139.db2.gz MOCBPDJXHGCWDT-ZCFIWIBFSA-N 1 0 242.146 3.803 10 0 BHAERO CCC(C)(C)Nc1cc[nH+]c(C)c1Cl ZINC000307550598 352648225 /nfs/dbraw/zinc/64/82/25/352648225.db2.gz XZKOEAQQAZGDHS-UHFFFAOYSA-N 1 0 212.724 3.644 10 0 BHAERO [NH3+]Cc1cc(-c2ccsc2Cl)cs1 ZINC000307550601 352648217 /nfs/dbraw/zinc/64/82/17/352648217.db2.gz RGIKTOCNLFASCW-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO CC[NH2+][C@@H](C)c1ccc2sccc2c1 ZINC000307584281 386734501 /nfs/dbraw/zinc/73/45/01/386734501.db2.gz HRULCWKCQDMKTO-VIFPVBQESA-N 1 0 205.326 3.572 10 0 BHAERO CC1(C)C[NH2+][C@@H]1c1cc(Cl)sc1Cl ZINC000307585626 352660695 /nfs/dbraw/zinc/66/06/95/352660695.db2.gz MKMMTOIPXOQFBR-SSDOTTSWSA-N 1 0 236.167 3.725 10 0 BHAERO CC1(C)C[NH2+][C@H]1c1cc(Cl)sc1Cl ZINC000307585627 352660327 /nfs/dbraw/zinc/66/03/27/352660327.db2.gz MKMMTOIPXOQFBR-ZETCQYMHSA-N 1 0 236.167 3.725 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Cl)[C@H]1C ZINC000307589550 352661953 /nfs/dbraw/zinc/66/19/53/352661953.db2.gz FXJHVXSLOKUPDY-KHQFGBGNSA-N 1 0 229.776 3.536 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]Cc2sccc2Cl)[C@@H]1C ZINC000307589556 352660753 /nfs/dbraw/zinc/66/07/53/352660753.db2.gz FXJHVXSLOKUPDY-MRTMQBJTSA-N 1 0 229.776 3.536 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Cl)[C@@H]1C ZINC000307589567 352660803 /nfs/dbraw/zinc/66/08/03/352660803.db2.gz FXJHVXSLOKUPDY-NQMVMOMDSA-N 1 0 229.776 3.536 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]Cc2sccc2Cl)[C@H]1C ZINC000307589577 352660371 /nfs/dbraw/zinc/66/03/71/352660371.db2.gz FXJHVXSLOKUPDY-WEDXCCLWSA-N 1 0 229.776 3.536 10 0 BHAERO CCC1(CC)C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000307625516 352704706 /nfs/dbraw/zinc/70/47/06/352704706.db2.gz GQKPKAPXYPQSOG-SNVBAGLBSA-N 1 0 229.776 3.852 10 0 BHAERO CC1(C[C@@H]([NH3+])c2ccsc2)CCCC1 ZINC000307665307 398191010 /nfs/dbraw/zinc/19/10/10/398191010.db2.gz ALCSNODJWYYMPY-LLVKDONJSA-N 1 0 209.358 3.718 10 0 BHAERO CC1(C[C@H]([NH3+])c2ccsc2)CCCC1 ZINC000307665308 398191004 /nfs/dbraw/zinc/19/10/04/398191004.db2.gz ALCSNODJWYYMPY-NSHDSACASA-N 1 0 209.358 3.718 10 0 BHAERO [NH3+][C@H](c1csc(Cl)c1)c1cccs1 ZINC000307737973 353121997 /nfs/dbraw/zinc/12/19/97/353121997.db2.gz VSWIVBLSOKXXEY-SECBINFHSA-N 1 0 229.757 3.511 10 0 BHAERO [NH3+][C@@H](c1csc(Cl)c1)c1cccs1 ZINC000307737975 353121970 /nfs/dbraw/zinc/12/19/70/353121970.db2.gz VSWIVBLSOKXXEY-VIFPVBQESA-N 1 0 229.757 3.511 10 0 BHAERO CCc1cc(N[C@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000307767856 529561786 /nfs/dbraw/zinc/56/17/86/529561786.db2.gz JGHNKAWWWGJMFJ-LLVKDONJSA-N 1 0 242.322 3.523 10 0 BHAERO CCc1cc(N[C@@H](C)c2cccs2)cc[nH+]1 ZINC000307829271 388427791 /nfs/dbraw/zinc/42/77/91/388427791.db2.gz ZWIMZWDYFBSJMG-JTQLQIEISA-N 1 0 232.352 3.879 10 0 BHAERO CCc1cc(N[C@H](C)c2cccs2)cc[nH+]1 ZINC000307829272 388427234 /nfs/dbraw/zinc/42/72/34/388427234.db2.gz ZWIMZWDYFBSJMG-SNVBAGLBSA-N 1 0 232.352 3.879 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308157986 167384243 /nfs/dbraw/zinc/38/42/43/167384243.db2.gz SPHNMGVCPUNHJO-MRVPVSSYSA-N 1 0 217.765 3.536 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308157987 385473754 /nfs/dbraw/zinc/47/37/54/385473754.db2.gz SPHNMGVCPUNHJO-QMMMGPOBSA-N 1 0 217.765 3.536 10 0 BHAERO C[NH2+][C@H](C)/C=C\c1c(Cl)cccc1Cl ZINC000308421644 350701833 /nfs/dbraw/zinc/70/18/33/350701833.db2.gz YBFKTTQZVNTAIV-NFXKFNAJSA-N 1 0 230.138 3.615 10 0 BHAERO C[NH2+][C@@H](C)/C=C\c1c(Cl)cccc1Cl ZINC000308421645 350701795 /nfs/dbraw/zinc/70/17/95/350701795.db2.gz YBFKTTQZVNTAIV-UAPHAKCISA-N 1 0 230.138 3.615 10 0 BHAERO CC/C=C\CC[NH2+][C@H](C)c1cccs1 ZINC000308501288 363071758 /nfs/dbraw/zinc/07/17/58/363071758.db2.gz GRYIUZAEMRGRSJ-DOGVGXBMSA-N 1 0 209.358 3.755 10 0 BHAERO CC/C=C\CC[NH2+][C@@H](C)c1cccs1 ZINC000308501289 363071540 /nfs/dbraw/zinc/07/15/40/363071540.db2.gz GRYIUZAEMRGRSJ-WYGGZMRJSA-N 1 0 209.358 3.755 10 0 BHAERO CC[C@H]([NH2+]Cc1ccsc1Cl)C(C)C ZINC000308505936 363071717 /nfs/dbraw/zinc/07/17/17/363071717.db2.gz IQMLWFLLIPKBLO-JTQLQIEISA-N 1 0 231.792 3.926 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccsc1Cl)C(C)C ZINC000308505938 363071729 /nfs/dbraw/zinc/07/17/29/363071729.db2.gz IQMLWFLLIPKBLO-SNVBAGLBSA-N 1 0 231.792 3.926 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1sccc1Cl ZINC000308598018 527866342 /nfs/dbraw/zinc/86/63/42/527866342.db2.gz SUOOJYLIHGYVPP-PSASIEDQSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1sccc1Cl ZINC000308598019 527830582 /nfs/dbraw/zinc/83/05/82/527830582.db2.gz SUOOJYLIHGYVPP-SCZZXKLOSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1sccc1Cl ZINC000308598020 528436347 /nfs/dbraw/zinc/43/63/47/528436347.db2.gz SUOOJYLIHGYVPP-WCBMZHEXSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1sccc1Cl ZINC000308598021 528427511 /nfs/dbraw/zinc/42/75/11/528427511.db2.gz SUOOJYLIHGYVPP-WPRPVWTQSA-N 1 0 229.776 3.680 10 0 BHAERO CC[C@H]([NH2+]Cc1sccc1Cl)C(C)C ZINC000308615235 529639223 /nfs/dbraw/zinc/63/92/23/529639223.db2.gz ZURVDGFIBLYNIF-JTQLQIEISA-N 1 0 231.792 3.926 10 0 BHAERO CC[C@@H]([NH2+]Cc1sccc1Cl)C(C)C ZINC000308615238 529192034 /nfs/dbraw/zinc/19/20/34/529192034.db2.gz ZURVDGFIBLYNIF-SNVBAGLBSA-N 1 0 231.792 3.926 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccsc1C)C(C)C ZINC000308705355 346906083 /nfs/dbraw/zinc/90/60/83/346906083.db2.gz WRCJDHJRENDDRW-GFCCVEGCSA-N 1 0 211.374 3.581 10 0 BHAERO CC[C@H]([NH2+]Cc1ccsc1C)C(C)C ZINC000308705356 385018677 /nfs/dbraw/zinc/01/86/77/385018677.db2.gz WRCJDHJRENDDRW-LBPRGKRZSA-N 1 0 211.374 3.581 10 0 BHAERO CSc1ccc(C[NH2+][C@H](C)C(C)C)s1 ZINC000308723775 388448448 /nfs/dbraw/zinc/44/84/48/388448448.db2.gz FOJBNEKXHQDDQZ-SECBINFHSA-N 1 0 229.414 3.604 10 0 BHAERO CSc1ccc(C[NH2+][C@@H](C)C(C)C)s1 ZINC000308723778 388448596 /nfs/dbraw/zinc/44/85/96/388448596.db2.gz FOJBNEKXHQDDQZ-VIFPVBQESA-N 1 0 229.414 3.604 10 0 BHAERO CC[C@@H]([NH2+]CCSC(C)C)C(C)(C)C ZINC000308726240 529166963 /nfs/dbraw/zinc/16/69/63/529166963.db2.gz GQIYIXVREJWGBR-LLVKDONJSA-N 1 0 217.422 3.542 10 0 BHAERO CC[C@H]([NH2+]CCSC(C)C)C(C)(C)C ZINC000308726241 256602219 /nfs/dbraw/zinc/60/22/19/256602219.db2.gz GQIYIXVREJWGBR-NSHDSACASA-N 1 0 217.422 3.542 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccsc1Cl ZINC000308740839 527866399 /nfs/dbraw/zinc/86/63/99/527866399.db2.gz OQWAXVNFESQNPY-PSASIEDQSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000308740840 527831573 /nfs/dbraw/zinc/83/15/73/527831573.db2.gz OQWAXVNFESQNPY-SCZZXKLOSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccsc1Cl ZINC000308740841 528437156 /nfs/dbraw/zinc/43/71/56/528437156.db2.gz OQWAXVNFESQNPY-WCBMZHEXSA-N 1 0 229.776 3.680 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000308740842 528428104 /nfs/dbraw/zinc/42/81/04/528428104.db2.gz OQWAXVNFESQNPY-WPRPVWTQSA-N 1 0 229.776 3.680 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC(C)(C)C1 ZINC000308742039 323177601 /nfs/dbraw/zinc/17/76/01/323177601.db2.gz PJUFHQBNPNIZTN-CHWSQXEVSA-N 1 0 241.419 3.606 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC(C)(C)C1 ZINC000308742040 323177546 /nfs/dbraw/zinc/17/75/46/323177546.db2.gz PJUFHQBNPNIZTN-OLZOCXBDSA-N 1 0 241.419 3.606 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC(C)(C)C1 ZINC000308742041 323177641 /nfs/dbraw/zinc/17/76/41/323177641.db2.gz PJUFHQBNPNIZTN-QWHCGFSZSA-N 1 0 241.419 3.606 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC(C)(C)C1 ZINC000308742042 323177541 /nfs/dbraw/zinc/17/75/41/323177541.db2.gz PJUFHQBNPNIZTN-STQMWFEESA-N 1 0 241.419 3.606 10 0 BHAERO CC(C)CC[C@@H]([NH2+][C@H](C)C1CC1)C1CC1 ZINC000308807891 527811824 /nfs/dbraw/zinc/81/18/24/527811824.db2.gz PORGLZZDBIWQHX-BXUZGUMPSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@@H](C)C1CC1)C1CC1 ZINC000308807892 527849338 /nfs/dbraw/zinc/84/93/38/527849338.db2.gz PORGLZZDBIWQHX-FZMZJTMJSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@H](C)C1CC1)C1CC1 ZINC000308807893 527850369 /nfs/dbraw/zinc/85/03/69/527850369.db2.gz PORGLZZDBIWQHX-RISCZKNCSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)CC[C@@H]([NH2+][C@@H](C)C1CC1)C1CC1 ZINC000308807894 527810562 /nfs/dbraw/zinc/81/05/62/527810562.db2.gz PORGLZZDBIWQHX-SMDDNHRTSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000308899916 527764103 /nfs/dbraw/zinc/76/41/03/527764103.db2.gz BCWXUXPIDKUBFJ-CHWSQXEVSA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000308899918 385252497 /nfs/dbraw/zinc/25/24/97/385252497.db2.gz BCWXUXPIDKUBFJ-OLZOCXBDSA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000308900268 528383789 /nfs/dbraw/zinc/38/37/89/528383789.db2.gz BCWXUXPIDKUBFJ-QWHCGFSZSA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000308900270 528381100 /nfs/dbraw/zinc/38/11/00/528381100.db2.gz BCWXUXPIDKUBFJ-STQMWFEESA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)SC ZINC000308922282 632450856 /nfs/dbraw/zinc/45/08/56/632450856.db2.gz HIHLWUYBWSZROR-NEPJUHHUSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)SC ZINC000308922283 632449931 /nfs/dbraw/zinc/44/99/31/632449931.db2.gz HIHLWUYBWSZROR-NWDGAFQWSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)SC ZINC000308922284 631746392 /nfs/dbraw/zinc/74/63/92/631746392.db2.gz HIHLWUYBWSZROR-RYUDHWBXSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)SC ZINC000308922286 632451220 /nfs/dbraw/zinc/45/12/20/632451220.db2.gz HIHLWUYBWSZROR-VXGBXAGGSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1CCCSC1)C(C)(C)C ZINC000308925120 529621335 /nfs/dbraw/zinc/62/13/35/529621335.db2.gz ICORFEMUOYYELE-NEPJUHHUSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H]1CCCSC1)C(C)(C)C ZINC000308925121 529175630 /nfs/dbraw/zinc/17/56/30/529175630.db2.gz ICORFEMUOYYELE-NWDGAFQWSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1CCCSC1)C(C)(C)C ZINC000308925123 529613891 /nfs/dbraw/zinc/61/38/91/529613891.db2.gz ICORFEMUOYYELE-RYUDHWBXSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1CCCSC1)C(C)(C)C ZINC000308925124 529179402 /nfs/dbraw/zinc/17/94/02/529179402.db2.gz ICORFEMUOYYELE-VXGBXAGGSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@@H]([NH2+]CC1CCSCC1)C(C)(C)C ZINC000308928007 529159034 /nfs/dbraw/zinc/15/90/34/529159034.db2.gz ISRVFKPRJQUWFC-GFCCVEGCSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@H]([NH2+]CC1CCSCC1)C(C)(C)C ZINC000308928011 529594721 /nfs/dbraw/zinc/59/47/21/529594721.db2.gz ISRVFKPRJQUWFC-LBPRGKRZSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@@H]([NH2+]CCc1cccs1)C(C)(C)C ZINC000308931965 529169900 /nfs/dbraw/zinc/16/99/00/529169900.db2.gz JRXZOMZUYCPIHN-GFCCVEGCSA-N 1 0 225.401 3.705 10 0 BHAERO CC[C@H]([NH2+]CCc1cccs1)C(C)(C)C ZINC000308931966 529608077 /nfs/dbraw/zinc/60/80/77/529608077.db2.gz JRXZOMZUYCPIHN-LBPRGKRZSA-N 1 0 225.401 3.705 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000308941878 528381625 /nfs/dbraw/zinc/38/16/25/528381625.db2.gz MLHJFRXARSVKLL-AAEUAGOBSA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000308941879 527763959 /nfs/dbraw/zinc/76/39/59/527763959.db2.gz MLHJFRXARSVKLL-DGCLKSJQSA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000308941881 528383505 /nfs/dbraw/zinc/38/35/05/528383505.db2.gz MLHJFRXARSVKLL-WCQYABFASA-N 1 0 223.385 3.807 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000308941882 527756295 /nfs/dbraw/zinc/75/62/95/527756295.db2.gz MLHJFRXARSVKLL-YPMHNXCESA-N 1 0 223.385 3.807 10 0 BHAERO FC1(C[NH2+]C2CCCCCC2)CCCC1 ZINC000308943395 342877623 /nfs/dbraw/zinc/87/76/23/342877623.db2.gz RAQYXCXBFUZKSN-UHFFFAOYSA-N 1 0 213.340 3.581 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1CCCCS1)C(C)(C)C ZINC000308955676 529620657 /nfs/dbraw/zinc/62/06/57/529620657.db2.gz QOERLCJCWCXGKZ-NEPJUHHUSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H]1CCCCS1)C(C)(C)C ZINC000308955677 529175441 /nfs/dbraw/zinc/17/54/41/529175441.db2.gz QOERLCJCWCXGKZ-NWDGAFQWSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1CCCCS1)C(C)(C)C ZINC000308955678 529613589 /nfs/dbraw/zinc/61/35/89/529613589.db2.gz QOERLCJCWCXGKZ-RYUDHWBXSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1CCCCS1)C(C)(C)C ZINC000308955679 529179255 /nfs/dbraw/zinc/17/92/55/529179255.db2.gz QOERLCJCWCXGKZ-VXGBXAGGSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccoc1C)C(C)(C)C ZINC000308963381 170903989 /nfs/dbraw/zinc/90/39/89/170903989.db2.gz SUGPEWXGNORHBQ-GFCCVEGCSA-N 1 0 209.333 3.502 10 0 BHAERO CC[C@H]([NH2+]Cc1ccoc1C)C(C)(C)C ZINC000308963382 385316771 /nfs/dbraw/zinc/31/67/71/385316771.db2.gz SUGPEWXGNORHBQ-LBPRGKRZSA-N 1 0 209.333 3.502 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308972782 528971762 /nfs/dbraw/zinc/97/17/62/528971762.db2.gz FSAMULLOBUFEKE-QJPTWQEYSA-N 1 0 229.433 3.541 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308972784 528971913 /nfs/dbraw/zinc/97/19/13/528971913.db2.gz FSAMULLOBUFEKE-SDDRHHMPSA-N 1 0 229.433 3.541 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308972786 528972037 /nfs/dbraw/zinc/97/20/37/528972037.db2.gz FSAMULLOBUFEKE-SRVKXCTJSA-N 1 0 229.433 3.541 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308972789 528971668 /nfs/dbraw/zinc/97/16/68/528971668.db2.gz FSAMULLOBUFEKE-TUAOUCFPSA-N 1 0 229.433 3.541 10 0 BHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1cccs1 ZINC000308995842 533972959 /nfs/dbraw/zinc/97/29/59/533972959.db2.gz MNWNWCFWILFXEC-DCAQKATOSA-N 1 0 223.385 3.833 10 0 BHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1cccs1 ZINC000308995843 229289700 /nfs/dbraw/zinc/28/97/00/229289700.db2.gz MNWNWCFWILFXEC-GARJFASQSA-N 1 0 223.385 3.833 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1CC1(C)C ZINC000308995844 229289467 /nfs/dbraw/zinc/28/94/67/229289467.db2.gz MNWNWCFWILFXEC-OUAUKWLOSA-N 1 0 223.385 3.833 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1CC1(C)C ZINC000308995845 229288933 /nfs/dbraw/zinc/28/89/33/229288933.db2.gz MNWNWCFWILFXEC-VWYCJHECSA-N 1 0 223.385 3.833 10 0 BHAERO C/C=C\C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000309035230 349369401 /nfs/dbraw/zinc/36/94/01/349369401.db2.gz HRNOEWCAJMYICC-AGFGORMFSA-N 1 0 209.377 3.757 10 0 BHAERO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000309035231 349369692 /nfs/dbraw/zinc/36/96/92/349369692.db2.gz HRNOEWCAJMYICC-FBVTZJDUSA-N 1 0 209.377 3.757 10 0 BHAERO C/C=C/C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000309035232 349369510 /nfs/dbraw/zinc/36/95/10/349369510.db2.gz HRNOEWCAJMYICC-JQSFKPKSSA-N 1 0 209.377 3.757 10 0 BHAERO C/C=C\C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000309035233 349369596 /nfs/dbraw/zinc/36/95/96/349369596.db2.gz HRNOEWCAJMYICC-NTQVKLLNSA-N 1 0 209.377 3.757 10 0 BHAERO CCCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309041981 631824529 /nfs/dbraw/zinc/82/45/29/631824529.db2.gz LUCZXKAULLAAEW-CHWSQXEVSA-N 1 0 215.356 3.685 10 0 BHAERO CCCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309041982 631824965 /nfs/dbraw/zinc/82/49/65/631824965.db2.gz LUCZXKAULLAAEW-OLZOCXBDSA-N 1 0 215.356 3.685 10 0 BHAERO CCCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309041983 631826206 /nfs/dbraw/zinc/82/62/06/631826206.db2.gz LUCZXKAULLAAEW-QWHCGFSZSA-N 1 0 215.356 3.685 10 0 BHAERO CCCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309041984 631825849 /nfs/dbraw/zinc/82/58/49/631825849.db2.gz LUCZXKAULLAAEW-STQMWFEESA-N 1 0 215.356 3.685 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)C2CCCC2)cs1 ZINC000309053746 178028128 /nfs/dbraw/zinc/02/81/28/178028128.db2.gz RITZYGVVJHHRGD-NSHDSACASA-N 1 0 223.385 3.725 10 0 BHAERO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309054835 528535162 /nfs/dbraw/zinc/53/51/62/528535162.db2.gz TVOCMYHUQPCTCS-NEPJUHHUSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309054836 528532886 /nfs/dbraw/zinc/53/28/86/528532886.db2.gz TVOCMYHUQPCTCS-NWDGAFQWSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309054837 528535252 /nfs/dbraw/zinc/53/52/52/528535252.db2.gz TVOCMYHUQPCTCS-RYUDHWBXSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309054838 528532820 /nfs/dbraw/zinc/53/28/20/528532820.db2.gz TVOCMYHUQPCTCS-VXGBXAGGSA-N 1 0 215.356 3.541 10 0 BHAERO CCC[C@@H](CC)[NH2+]CC(C)(C)C(F)(F)F ZINC000309063661 355988667 /nfs/dbraw/zinc/98/86/67/355988667.db2.gz YDEQWKJBLSBXRK-SECBINFHSA-N 1 0 225.298 3.743 10 0 BHAERO CCC[C@H](CC)[NH2+]CC(C)(C)C(F)(F)F ZINC000309063662 355988573 /nfs/dbraw/zinc/98/85/73/355988573.db2.gz YDEQWKJBLSBXRK-VIFPVBQESA-N 1 0 225.298 3.743 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309067049 527758759 /nfs/dbraw/zinc/75/87/59/527758759.db2.gz AAUZWMGMKXPHSA-AGIUHOORSA-N 1 0 209.377 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309067052 527757422 /nfs/dbraw/zinc/75/74/22/527757422.db2.gz AAUZWMGMKXPHSA-FRRDWIJNSA-N 1 0 209.377 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309067054 527763065 /nfs/dbraw/zinc/76/30/65/527763065.db2.gz AAUZWMGMKXPHSA-JHJVBQTASA-N 1 0 209.377 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309067056 527763753 /nfs/dbraw/zinc/76/37/53/527763753.db2.gz AAUZWMGMKXPHSA-UPJWGTAASA-N 1 0 209.377 3.733 10 0 BHAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1C[C@@H]1C ZINC000309077828 527500554 /nfs/dbraw/zinc/50/05/54/527500554.db2.gz MEVDMTQZOUBOCY-ANWLQWBWSA-N 1 0 235.758 3.741 10 0 BHAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1C[C@H]1C ZINC000309077829 527500229 /nfs/dbraw/zinc/50/02/29/527500229.db2.gz MEVDMTQZOUBOCY-GDEHEKBSSA-N 1 0 235.758 3.741 10 0 BHAERO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309080195 527704955 /nfs/dbraw/zinc/70/49/55/527704955.db2.gz OIJHLIJGZHFKKD-CHWSQXEVSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309080196 527704898 /nfs/dbraw/zinc/70/48/98/527704898.db2.gz OIJHLIJGZHFKKD-OLZOCXBDSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309080197 527704877 /nfs/dbraw/zinc/70/48/77/527704877.db2.gz OIJHLIJGZHFKKD-QWHCGFSZSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309080198 527704868 /nfs/dbraw/zinc/70/48/68/527704868.db2.gz OIJHLIJGZHFKKD-STQMWFEESA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000309083424 632635051 /nfs/dbraw/zinc/63/50/51/632635051.db2.gz SZTKEHFXFLDNED-QJPTWQEYSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000309083425 631876599 /nfs/dbraw/zinc/87/65/99/631876599.db2.gz SZTKEHFXFLDNED-SDDRHHMPSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000309083426 631876691 /nfs/dbraw/zinc/87/66/91/631876691.db2.gz SZTKEHFXFLDNED-SRVKXCTJSA-N 1 0 223.385 3.833 10 0 BHAERO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000309083427 631876882 /nfs/dbraw/zinc/87/68/82/631876882.db2.gz SZTKEHFXFLDNED-TUAOUCFPSA-N 1 0 223.385 3.833 10 0 BHAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000309083610 528108044 /nfs/dbraw/zinc/10/80/44/528108044.db2.gz UCSFNCRNGQVQEH-BFHYXJOUSA-N 1 0 209.377 3.613 10 0 BHAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000309083611 528109343 /nfs/dbraw/zinc/10/93/43/528109343.db2.gz UCSFNCRNGQVQEH-IHRRRGAJSA-N 1 0 209.377 3.613 10 0 BHAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000309083612 528108663 /nfs/dbraw/zinc/10/86/63/528108663.db2.gz UCSFNCRNGQVQEH-MELADBBJSA-N 1 0 209.377 3.613 10 0 BHAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C(C)C ZINC000309083613 528109658 /nfs/dbraw/zinc/10/96/58/528109658.db2.gz UCSFNCRNGQVQEH-MJBXVCDLSA-N 1 0 209.377 3.613 10 0 BHAERO CC[C@@H]([NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000309089366 529190716 /nfs/dbraw/zinc/19/07/16/529190716.db2.gz BOETTXUZGBFOJM-MRVPVSSYSA-N 1 0 246.807 3.711 10 0 BHAERO CC[C@H]([NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000309089370 529637507 /nfs/dbraw/zinc/63/75/07/529637507.db2.gz BOETTXUZGBFOJM-QMMMGPOBSA-N 1 0 246.807 3.711 10 0 BHAERO Cc1sccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000309093638 385405469 /nfs/dbraw/zinc/40/54/69/385405469.db2.gz FUPOAAMXWDKXLV-JTQLQIEISA-N 1 0 223.385 3.725 10 0 BHAERO Cc1sccc1C[NH2+][C@H](C)C1CCCC1 ZINC000309093639 385405164 /nfs/dbraw/zinc/40/51/64/385405164.db2.gz FUPOAAMXWDKXLV-SNVBAGLBSA-N 1 0 223.385 3.725 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309116437 534044030 /nfs/dbraw/zinc/04/40/30/534044030.db2.gz LQSDUSCQJZVIRI-HZGVNTEJSA-N 1 0 248.128 3.631 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309116439 533742425 /nfs/dbraw/zinc/74/24/25/533742425.db2.gz LQSDUSCQJZVIRI-MUWHJKNJSA-N 1 0 248.128 3.631 10 0 BHAERO c1ccc(C[NH2+][C@H]2C=CCCCCC2)cc1 ZINC000309135059 342894109 /nfs/dbraw/zinc/89/41/09/342894109.db2.gz FAVTYOUIAJEWAR-HNNXBMFYSA-N 1 0 215.340 3.665 10 0 BHAERO c1ccc(C[NH2+][C@@H]2C=CCCCCC2)cc1 ZINC000309135060 342894135 /nfs/dbraw/zinc/89/41/35/342894135.db2.gz FAVTYOUIAJEWAR-OAHLLOKOSA-N 1 0 215.340 3.665 10 0 BHAERO CC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000309141380 350080610 /nfs/dbraw/zinc/08/06/10/350080610.db2.gz HHEVQFPIQSTRGF-UBHSHLNASA-N 1 0 209.377 3.591 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCCCF)CC(C)(C)C1 ZINC000309162389 385163307 /nfs/dbraw/zinc/16/33/07/385163307.db2.gz ZOMKGEKOTWQRLH-NEPJUHHUSA-N 1 0 215.356 3.541 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCCCF)CC(C)(C)C1 ZINC000309162390 385163603 /nfs/dbraw/zinc/16/36/03/385163603.db2.gz ZOMKGEKOTWQRLH-NWDGAFQWSA-N 1 0 215.356 3.541 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCCCF)CC(C)(C)C1 ZINC000309162391 385163749 /nfs/dbraw/zinc/16/37/49/385163749.db2.gz ZOMKGEKOTWQRLH-RYUDHWBXSA-N 1 0 215.356 3.541 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCCCF)CC(C)(C)C1 ZINC000309162392 385163478 /nfs/dbraw/zinc/16/34/78/385163478.db2.gz ZOMKGEKOTWQRLH-VXGBXAGGSA-N 1 0 215.356 3.541 10 0 BHAERO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000309166678 385165101 /nfs/dbraw/zinc/16/51/01/385165101.db2.gz JHJGBDDJKGFXCE-CIQGVGRVSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H](C)C1CC1 ZINC000309166679 256523500 /nfs/dbraw/zinc/52/35/00/256523500.db2.gz JHJGBDDJKGFXCE-FMCLSXCISA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000309166680 385165065 /nfs/dbraw/zinc/16/50/65/385165065.db2.gz JHJGBDDJKGFXCE-FMSGJZPZSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000309166681 385166051 /nfs/dbraw/zinc/16/60/51/385166051.db2.gz JHJGBDDJKGFXCE-SFTQSGBHSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000309172577 491145859 /nfs/dbraw/zinc/14/58/59/491145859.db2.gz LRRJHZAUVIKSCK-NXEZZACHSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000309172578 491145858 /nfs/dbraw/zinc/14/58/58/491145858.db2.gz LRRJHZAUVIKSCK-UWVGGRQHSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000309172579 491145866 /nfs/dbraw/zinc/14/58/66/491145866.db2.gz LRRJHZAUVIKSCK-VHSXEESVSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000309172580 491145886 /nfs/dbraw/zinc/14/58/86/491145886.db2.gz LRRJHZAUVIKSCK-ZJUUUORDSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@@H]([NH2+]CC1(SC)CCC1)C(C)(C)C ZINC000309173033 385161875 /nfs/dbraw/zinc/16/18/75/385161875.db2.gz LUZXAZCPPVKKPJ-LLVKDONJSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@H]([NH2+]CC1(SC)CCC1)C(C)(C)C ZINC000309173035 256523505 /nfs/dbraw/zinc/52/35/05/256523505.db2.gz LUZXAZCPPVKKPJ-NSHDSACASA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]CCSC(F)(F)F)C(C)(C)C ZINC000309174623 632662324 /nfs/dbraw/zinc/66/23/24/632662324.db2.gz MFIFSXSYLNQYAD-MRVPVSSYSA-N 1 0 243.338 3.654 10 0 BHAERO CC[C@H]([NH2+]CCSC(F)(F)F)C(C)(C)C ZINC000309174624 632662390 /nfs/dbraw/zinc/66/23/90/632662390.db2.gz MFIFSXSYLNQYAD-QMMMGPOBSA-N 1 0 243.338 3.654 10 0 BHAERO CC/C=C\CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309180747 322898797 /nfs/dbraw/zinc/89/87/97/322898797.db2.gz NSLAPBLLWCWXIV-FJOGCWAESA-N 1 0 207.317 3.595 10 0 BHAERO CC/C=C\CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000309180748 322898690 /nfs/dbraw/zinc/89/86/90/322898690.db2.gz NSLAPBLLWCWXIV-FOQNGQEVSA-N 1 0 207.317 3.595 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCCSC ZINC000309191035 385201172 /nfs/dbraw/zinc/20/11/72/385201172.db2.gz PQAIPBDLMDVKBC-CHWSQXEVSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCCSC ZINC000309191046 527756645 /nfs/dbraw/zinc/75/66/45/527756645.db2.gz PQAIPBDLMDVKBC-OLZOCXBDSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCCSC ZINC000309191055 385201583 /nfs/dbraw/zinc/20/15/83/385201583.db2.gz PQAIPBDLMDVKBC-QWHCGFSZSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCCSC ZINC000309191067 385199951 /nfs/dbraw/zinc/19/99/51/385199951.db2.gz PQAIPBDLMDVKBC-STQMWFEESA-N 1 0 229.433 3.688 10 0 BHAERO CC[C@H]([NH2+]C[C@]1(C)CCCS1)C(C)(C)C ZINC000309208148 385203146 /nfs/dbraw/zinc/20/31/46/385203146.db2.gz SJEXOZVIEYQLHC-AAEUAGOBSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]C[C@@]1(C)CCCS1)C(C)(C)C ZINC000309208158 385202676 /nfs/dbraw/zinc/20/26/76/385202676.db2.gz SJEXOZVIEYQLHC-DGCLKSJQSA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@H]([NH2+]C[C@@]1(C)CCCS1)C(C)(C)C ZINC000309208166 385204404 /nfs/dbraw/zinc/20/44/04/385204404.db2.gz SJEXOZVIEYQLHC-WCQYABFASA-N 1 0 229.433 3.686 10 0 BHAERO CC[C@@H]([NH2+]C[C@]1(C)CCCS1)C(C)(C)C ZINC000309208173 517775654 /nfs/dbraw/zinc/77/56/54/517775654.db2.gz SJEXOZVIEYQLHC-YPMHNXCESA-N 1 0 229.433 3.686 10 0 BHAERO CCSCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000309209943 529181119 /nfs/dbraw/zinc/18/11/19/529181119.db2.gz NNPWSIREBCEYRC-CYBMUJFWSA-N 1 0 237.412 3.707 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000309209945 385203558 /nfs/dbraw/zinc/20/35/58/385203558.db2.gz NNPWSIREBCEYRC-ZDUSSCGKSA-N 1 0 237.412 3.707 10 0 BHAERO CC[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(C)C ZINC000309222339 529673520 /nfs/dbraw/zinc/67/35/20/529673520.db2.gz VKXHAALZEGTMCR-AGIUHOORSA-N 1 0 229.433 3.541 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(C)C ZINC000309222346 385270153 /nfs/dbraw/zinc/27/01/53/385270153.db2.gz VKXHAALZEGTMCR-AVGNSLFASA-N 1 0 229.433 3.541 10 0 BHAERO CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(C)C ZINC000309222353 385488568 /nfs/dbraw/zinc/48/85/68/385488568.db2.gz VKXHAALZEGTMCR-FRRDWIJNSA-N 1 0 229.433 3.541 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(C)C ZINC000309222362 385269836 /nfs/dbraw/zinc/26/98/36/385269836.db2.gz VKXHAALZEGTMCR-RWMBFGLXSA-N 1 0 229.433 3.541 10 0 BHAERO CC[C@@H]([NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000309232811 632829484 /nfs/dbraw/zinc/82/94/84/632829484.db2.gz WZKVPFLKVJSGIY-LLVKDONJSA-N 1 0 231.449 3.932 10 0 BHAERO CC[C@H]([NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000309232812 632829826 /nfs/dbraw/zinc/82/98/26/632829826.db2.gz WZKVPFLKVJSGIY-NSHDSACASA-N 1 0 231.449 3.932 10 0 BHAERO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)C ZINC000309238252 323333659 /nfs/dbraw/zinc/33/36/59/323333659.db2.gz XWQDUVLKLQBLPG-CHWSQXEVSA-N 1 0 211.393 3.981 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000309238258 323333463 /nfs/dbraw/zinc/33/34/63/323333463.db2.gz XWQDUVLKLQBLPG-OLZOCXBDSA-N 1 0 211.393 3.981 10 0 BHAERO CCC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)C ZINC000309238263 323333399 /nfs/dbraw/zinc/33/33/99/323333399.db2.gz XWQDUVLKLQBLPG-QWHCGFSZSA-N 1 0 211.393 3.981 10 0 BHAERO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000309238269 323333432 /nfs/dbraw/zinc/33/34/32/323333432.db2.gz XWQDUVLKLQBLPG-STQMWFEESA-N 1 0 211.393 3.981 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc(C)c1 ZINC000309249849 171544212 /nfs/dbraw/zinc/54/42/12/171544212.db2.gz ZMMJERAXIFVXAB-DOMZBBRYSA-N 1 0 217.356 3.834 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(C)c1 ZINC000309249851 347002620 /nfs/dbraw/zinc/00/26/20/347002620.db2.gz ZMMJERAXIFVXAB-IUODEOHRSA-N 1 0 217.356 3.834 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(C)c1 ZINC000309249852 347002760 /nfs/dbraw/zinc/00/27/60/347002760.db2.gz ZMMJERAXIFVXAB-SWLSCSKDSA-N 1 0 217.356 3.834 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(C)c1 ZINC000309249853 385499909 /nfs/dbraw/zinc/49/99/09/385499909.db2.gz ZMMJERAXIFVXAB-WFASDCNBSA-N 1 0 217.356 3.834 10 0 BHAERO FC(F)(F)Sc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000309276134 342944631 /nfs/dbraw/zinc/94/46/31/342944631.db2.gz FJKIXSIBXZIWHR-JTQLQIEISA-N 1 0 247.285 3.723 10 0 BHAERO FC(F)(F)Sc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000309276141 342944601 /nfs/dbraw/zinc/94/46/01/342944601.db2.gz FJKIXSIBXZIWHR-SNVBAGLBSA-N 1 0 247.285 3.723 10 0 BHAERO c1ccc([C@@H]2[NH2+]CC23CCCCCC3)cc1 ZINC000309302321 343077610 /nfs/dbraw/zinc/07/76/10/343077610.db2.gz YNDSWWXTBFXWGJ-AWEZNQCLSA-N 1 0 215.340 3.672 10 0 BHAERO c1ccc([C@H]2[NH2+]CC23CCCCCC3)cc1 ZINC000309302322 343077379 /nfs/dbraw/zinc/07/73/79/343077379.db2.gz YNDSWWXTBFXWGJ-CQSZACIVSA-N 1 0 215.340 3.672 10 0 BHAERO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309310998 323342245 /nfs/dbraw/zinc/34/22/45/323342245.db2.gz BYGWKHSWCYLXJR-CHWSQXEVSA-N 1 0 229.383 3.931 10 0 BHAERO CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309310999 323342073 /nfs/dbraw/zinc/34/20/73/323342073.db2.gz BYGWKHSWCYLXJR-OLZOCXBDSA-N 1 0 229.383 3.931 10 0 BHAERO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309311000 347033381 /nfs/dbraw/zinc/03/33/81/347033381.db2.gz BYGWKHSWCYLXJR-QWHCGFSZSA-N 1 0 229.383 3.931 10 0 BHAERO CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309311403 323342283 /nfs/dbraw/zinc/34/22/83/323342283.db2.gz BYGWKHSWCYLXJR-STQMWFEESA-N 1 0 229.383 3.931 10 0 BHAERO FC(F)(F)c1cccc([C@H]2CCC[NH2+]2)c1Cl ZINC000309313778 347031643 /nfs/dbraw/zinc/03/16/43/347031643.db2.gz IWANLGWPYJHWJO-SECBINFHSA-N 1 0 249.663 3.783 10 0 BHAERO FC(F)(F)c1cccc([C@@H]2CCC[NH2+]2)c1Cl ZINC000309314267 343221127 /nfs/dbraw/zinc/22/11/27/343221127.db2.gz IWANLGWPYJHWJO-VIFPVBQESA-N 1 0 249.663 3.783 10 0 BHAERO FC(F)(F)c1ccc([C@@H]2CCC[NH2+]2)cc1Cl ZINC000309315424 343221223 /nfs/dbraw/zinc/22/12/23/343221223.db2.gz JQCWQYTUFWQSFR-JTQLQIEISA-N 1 0 249.663 3.783 10 0 BHAERO FC(F)(F)c1ccc([C@H]2CCC[NH2+]2)cc1Cl ZINC000309315425 343221213 /nfs/dbraw/zinc/22/12/13/343221213.db2.gz JQCWQYTUFWQSFR-SNVBAGLBSA-N 1 0 249.663 3.783 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309324622 229570822 /nfs/dbraw/zinc/57/08/22/229570822.db2.gz HUVAVQGKEQROTQ-GUIRCDHDSA-N 1 0 217.356 3.690 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309324624 398020779 /nfs/dbraw/zinc/02/07/79/398020779.db2.gz HUVAVQGKEQROTQ-PWNZVWSESA-N 1 0 217.356 3.690 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309324633 398020609 /nfs/dbraw/zinc/02/06/09/398020609.db2.gz HUVAVQGKEQROTQ-SFDCQRBFSA-N 1 0 217.356 3.690 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309324635 398020491 /nfs/dbraw/zinc/02/04/91/398020491.db2.gz HUVAVQGKEQROTQ-UKTARXLSSA-N 1 0 217.356 3.690 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)o1 ZINC000309373143 632988447 /nfs/dbraw/zinc/98/84/47/632988447.db2.gz QULFFQFSGCWSOQ-AVGNSLFASA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)o1 ZINC000309373144 632988703 /nfs/dbraw/zinc/98/87/03/632988703.db2.gz QULFFQFSGCWSOQ-RWMBFGLXSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)o1 ZINC000309373145 632989375 /nfs/dbraw/zinc/98/93/75/632989375.db2.gz QULFFQFSGCWSOQ-XQQFMLRXSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)o1 ZINC000309373146 632988930 /nfs/dbraw/zinc/98/89/30/632988930.db2.gz QULFFQFSGCWSOQ-YNEHKIRRSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C)ccc1F ZINC000309379179 491147730 /nfs/dbraw/zinc/14/77/30/491147730.db2.gz ACHUQIOLFPUUSN-LLVKDONJSA-N 1 0 223.335 3.831 10 0 BHAERO Cc1cc([C@H](C)[NH2+]CC(C)(C)C)ccc1F ZINC000309379180 491147714 /nfs/dbraw/zinc/14/77/14/491147714.db2.gz ACHUQIOLFPUUSN-NSHDSACASA-N 1 0 223.335 3.831 10 0 BHAERO CC(C)[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309393848 383935313 /nfs/dbraw/zinc/93/53/13/383935313.db2.gz UXORLRRVJZEGND-JTQLQIEISA-N 1 0 240.416 3.575 10 0 BHAERO CC(C)[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309393850 383935877 /nfs/dbraw/zinc/93/58/77/383935877.db2.gz UXORLRRVJZEGND-SNVBAGLBSA-N 1 0 240.416 3.575 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309443620 385584147 /nfs/dbraw/zinc/58/41/47/385584147.db2.gz JELNUFNGHCIZDZ-ZDUSSCGKSA-N 1 0 237.412 3.707 10 0 BHAERO CC1CC([NH2+]C[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000309450100 350499882 /nfs/dbraw/zinc/49/98/82/350499882.db2.gz MIRFHDBDNMGAJM-CDFKWJNJSA-N 1 0 221.388 3.591 10 0 BHAERO CCSCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309469477 385599596 /nfs/dbraw/zinc/59/95/96/385599596.db2.gz QHTRDLWMKGLTFY-NSHDSACASA-N 1 0 241.375 3.538 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309497446 491150254 /nfs/dbraw/zinc/15/02/54/491150254.db2.gz YUZALLFBABCEEJ-GRYCIOLGSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309497448 491150241 /nfs/dbraw/zinc/15/02/41/491150241.db2.gz YUZALLFBABCEEJ-IJLUTSLNSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309497450 491150265 /nfs/dbraw/zinc/15/02/65/491150265.db2.gz YUZALLFBABCEEJ-UTUOFQBUSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309497452 491150217 /nfs/dbraw/zinc/15/02/17/491150217.db2.gz YUZALLFBABCEEJ-WOPDTQHZSA-N 1 0 231.330 3.733 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccoc1 ZINC000309539592 347095598 /nfs/dbraw/zinc/09/55/98/347095598.db2.gz DNGZNQRQLBYPBN-FPMFFAJLSA-N 1 0 221.344 3.755 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccoc1 ZINC000309539593 347095401 /nfs/dbraw/zinc/09/54/01/347095401.db2.gz DNGZNQRQLBYPBN-KWCYVHTRSA-N 1 0 221.344 3.755 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccoc1 ZINC000309539595 347095552 /nfs/dbraw/zinc/09/55/52/347095552.db2.gz DNGZNQRQLBYPBN-UBHSHLNASA-N 1 0 221.344 3.755 10 0 BHAERO CC(C)CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccoc1 ZINC000309539596 347095735 /nfs/dbraw/zinc/09/57/35/347095735.db2.gz DNGZNQRQLBYPBN-XBFCOCLRSA-N 1 0 221.344 3.755 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309555774 388456964 /nfs/dbraw/zinc/45/69/64/388456964.db2.gz JPDIEOAAQPDAQE-CKYFFXLPSA-N 1 0 231.330 3.589 10 0 BHAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309555777 388456446 /nfs/dbraw/zinc/45/64/46/388456446.db2.gz JPDIEOAAQPDAQE-FOGDFJRCSA-N 1 0 231.330 3.589 10 0 BHAERO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309555780 323082400 /nfs/dbraw/zinc/08/24/00/323082400.db2.gz JPDIEOAAQPDAQE-HOSYDEDBSA-N 1 0 231.330 3.589 10 0 BHAERO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309555782 388456736 /nfs/dbraw/zinc/45/67/36/388456736.db2.gz JPDIEOAAQPDAQE-UMNHJUIQSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccco1 ZINC000309560693 370229640 /nfs/dbraw/zinc/22/96/40/370229640.db2.gz KYUKSUFIFIDDMW-MRVPVSSYSA-N 1 0 235.249 3.519 10 0 BHAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccco1 ZINC000309560694 370229300 /nfs/dbraw/zinc/22/93/00/370229300.db2.gz KYUKSUFIFIDDMW-QMMMGPOBSA-N 1 0 235.249 3.519 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)o1 ZINC000309567750 385702409 /nfs/dbraw/zinc/70/24/09/385702409.db2.gz MSCGYQGVCHZUBR-GRYCIOLGSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)o1 ZINC000309567752 385702988 /nfs/dbraw/zinc/70/29/88/385702988.db2.gz MSCGYQGVCHZUBR-SDDRHHMPSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)o1 ZINC000309567754 385703512 /nfs/dbraw/zinc/70/35/12/385703512.db2.gz MSCGYQGVCHZUBR-SRVKXCTJSA-N 1 0 221.344 3.673 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)o1 ZINC000309567756 385703043 /nfs/dbraw/zinc/70/30/43/385703043.db2.gz MSCGYQGVCHZUBR-WOPDTQHZSA-N 1 0 221.344 3.673 10 0 BHAERO C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000309569199 388457294 /nfs/dbraw/zinc/45/72/94/388457294.db2.gz NDRAOVCFEYSCPF-CQDKDKBSSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000309569200 388457426 /nfs/dbraw/zinc/45/74/26/388457426.db2.gz NDRAOVCFEYSCPF-GLQYFDAESA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000309569202 229453187 /nfs/dbraw/zinc/45/31/87/229453187.db2.gz NDRAOVCFEYSCPF-NILFDRSVSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000309569203 388457424 /nfs/dbraw/zinc/45/74/24/388457424.db2.gz NDRAOVCFEYSCPF-TUKIKUTGSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309588943 384157276 /nfs/dbraw/zinc/15/72/76/384157276.db2.gz TZJZJPXZAWGBBB-BIAAXOCRSA-N 1 0 237.774 3.830 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@H](C)c1ccc(Cl)cc1 ZINC000309588944 384157920 /nfs/dbraw/zinc/15/79/20/384157920.db2.gz TZJZJPXZAWGBBB-DEKYYXRVSA-N 1 0 237.774 3.830 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309588945 384157301 /nfs/dbraw/zinc/15/73/01/384157301.db2.gz TZJZJPXZAWGBBB-PUHVVEEASA-N 1 0 237.774 3.830 10 0 BHAERO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000309588946 384158429 /nfs/dbraw/zinc/15/84/29/384158429.db2.gz TZJZJPXZAWGBBB-ZHPDPMBESA-N 1 0 237.774 3.830 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccs1 ZINC000309591356 322906237 /nfs/dbraw/zinc/90/62/37/322906237.db2.gz UWKDSAARVDLLSX-CYZMBNFOSA-N 1 0 235.396 3.977 10 0 BHAERO C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1cccs1 ZINC000309591357 322906379 /nfs/dbraw/zinc/90/63/79/322906379.db2.gz UWKDSAARVDLLSX-DRZSPHRISA-N 1 0 235.396 3.977 10 0 BHAERO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccs1 ZINC000309591358 322906221 /nfs/dbraw/zinc/90/62/21/322906221.db2.gz UWKDSAARVDLLSX-UHTWSYAYSA-N 1 0 235.396 3.977 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccs1 ZINC000309591359 322906373 /nfs/dbraw/zinc/90/63/73/322906373.db2.gz UWKDSAARVDLLSX-WCFLWFBJSA-N 1 0 235.396 3.977 10 0 BHAERO C([NH2+]C1CCCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000309595796 342729807 /nfs/dbraw/zinc/72/98/07/342729807.db2.gz IHRLALRLXZTOJC-ZFWWWQNUSA-N 1 0 221.388 3.735 10 0 BHAERO Cc1cscc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309612816 179805980 /nfs/dbraw/zinc/80/59/80/179805980.db2.gz ASCWCTOEFUGCAE-AAEUAGOBSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309612819 385746077 /nfs/dbraw/zinc/74/60/77/385746077.db2.gz ASCWCTOEFUGCAE-DGCLKSJQSA-N 1 0 241.375 3.674 10 0 BHAERO Cc1cscc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309612820 179805807 /nfs/dbraw/zinc/80/58/07/179805807.db2.gz ASCWCTOEFUGCAE-WCQYABFASA-N 1 0 241.375 3.674 10 0 BHAERO Cc1cscc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309612822 385748010 /nfs/dbraw/zinc/74/80/10/385748010.db2.gz ASCWCTOEFUGCAE-YPMHNXCESA-N 1 0 241.375 3.674 10 0 BHAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000309657246 388460570 /nfs/dbraw/zinc/46/05/70/388460570.db2.gz WMVWWPDSPCQIEU-KBPBESRZSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000309657248 229458528 /nfs/dbraw/zinc/45/85/28/229458528.db2.gz WMVWWPDSPCQIEU-KGLIPLIRSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000309657249 388460396 /nfs/dbraw/zinc/46/03/96/388460396.db2.gz WMVWWPDSPCQIEU-UONOGXRCSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000309657251 229459011 /nfs/dbraw/zinc/45/90/11/229459011.db2.gz WMVWWPDSPCQIEU-ZIAGYGMSSA-N 1 0 227.367 3.685 10 0 BHAERO CC(C)(C)SCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309674959 633222440 /nfs/dbraw/zinc/22/24/40/633222440.db2.gz LKMVLOFFLNDBRC-NEPJUHHUSA-N 1 0 247.423 3.636 10 0 BHAERO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309674960 633222900 /nfs/dbraw/zinc/22/29/00/633222900.db2.gz LKMVLOFFLNDBRC-NWDGAFQWSA-N 1 0 247.423 3.636 10 0 BHAERO CC(C)(C)SCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309674961 632639478 /nfs/dbraw/zinc/63/94/78/632639478.db2.gz LKMVLOFFLNDBRC-RYUDHWBXSA-N 1 0 247.423 3.636 10 0 BHAERO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309674962 632639835 /nfs/dbraw/zinc/63/98/35/632639835.db2.gz LKMVLOFFLNDBRC-VXGBXAGGSA-N 1 0 247.423 3.636 10 0 BHAERO CCc1cccc(Cl)c1C[NH2+][C@@H](C)C1CC1 ZINC000309675161 384200476 /nfs/dbraw/zinc/20/04/76/384200476.db2.gz XNAQVVYIZBLWAK-JTQLQIEISA-N 1 0 237.774 3.791 10 0 BHAERO CCc1cccc(Cl)c1C[NH2+][C@H](C)C1CC1 ZINC000309675165 529172373 /nfs/dbraw/zinc/17/23/73/529172373.db2.gz XNAQVVYIZBLWAK-SNVBAGLBSA-N 1 0 237.774 3.791 10 0 BHAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309685755 528900916 /nfs/dbraw/zinc/90/09/16/528900916.db2.gz HKAIKXSRUXWDPJ-NEPJUHHUSA-N 1 0 223.335 3.973 10 0 BHAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309685757 384200881 /nfs/dbraw/zinc/20/08/81/384200881.db2.gz HKAIKXSRUXWDPJ-NWDGAFQWSA-N 1 0 223.335 3.973 10 0 BHAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309685759 528066822 /nfs/dbraw/zinc/06/68/22/528066822.db2.gz HKAIKXSRUXWDPJ-RYUDHWBXSA-N 1 0 223.335 3.973 10 0 BHAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309685761 528900256 /nfs/dbraw/zinc/90/02/56/528900256.db2.gz HKAIKXSRUXWDPJ-VXGBXAGGSA-N 1 0 223.335 3.973 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000309691723 388461560 /nfs/dbraw/zinc/46/15/60/388461560.db2.gz JQRNLSUTAOEYLT-GFCCVEGCSA-N 1 0 240.778 3.649 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000309691724 388461580 /nfs/dbraw/zinc/46/15/80/388461580.db2.gz JQRNLSUTAOEYLT-LBPRGKRZSA-N 1 0 240.778 3.649 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1sccc1OC)C(C)C ZINC000309718681 388462297 /nfs/dbraw/zinc/46/22/97/388462297.db2.gz VCKSIEQQQZEWMQ-GHMZBOCLSA-N 1 0 241.400 3.842 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1sccc1OC)C(C)C ZINC000309718682 388462511 /nfs/dbraw/zinc/46/25/11/388462511.db2.gz VCKSIEQQQZEWMQ-MNOVXSKESA-N 1 0 241.400 3.842 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1sccc1OC)C(C)C ZINC000309718683 388462229 /nfs/dbraw/zinc/46/22/29/388462229.db2.gz VCKSIEQQQZEWMQ-QWRGUYRKSA-N 1 0 241.400 3.842 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1sccc1OC)C(C)C ZINC000309718684 384217233 /nfs/dbraw/zinc/21/72/33/384217233.db2.gz VCKSIEQQQZEWMQ-WDEREUQCSA-N 1 0 241.400 3.842 10 0 BHAERO C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC(C)(C)C1 ZINC000309742303 326167026 /nfs/dbraw/zinc/16/70/26/326167026.db2.gz DPERCFWUKWOMEX-AAEUAGOBSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC(C)(C)C1 ZINC000309742305 326166675 /nfs/dbraw/zinc/16/66/75/326166675.db2.gz DPERCFWUKWOMEX-DGCLKSJQSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC(C)(C)C1 ZINC000309742307 326166638 /nfs/dbraw/zinc/16/66/38/326166638.db2.gz DPERCFWUKWOMEX-WCQYABFASA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC(C)(C)C1 ZINC000309742310 323169789 /nfs/dbraw/zinc/16/97/89/323169789.db2.gz DPERCFWUKWOMEX-YPMHNXCESA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000309754980 370255896 /nfs/dbraw/zinc/25/58/96/370255896.db2.gz HLJHNPIRBAQEHO-CQDKDKBSSA-N 1 0 221.388 3.591 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000309758366 388464080 /nfs/dbraw/zinc/46/40/80/388464080.db2.gz IDHCLTSPUWCAHG-AGIUHOORSA-N 1 0 227.367 3.683 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000309758371 388464070 /nfs/dbraw/zinc/46/40/70/388464070.db2.gz IDHCLTSPUWCAHG-AVGNSLFASA-N 1 0 227.367 3.683 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000309758375 529047983 /nfs/dbraw/zinc/04/79/83/529047983.db2.gz IDHCLTSPUWCAHG-FRRDWIJNSA-N 1 0 227.367 3.683 10 0 BHAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000309758379 388464210 /nfs/dbraw/zinc/46/42/10/388464210.db2.gz IDHCLTSPUWCAHG-RWMBFGLXSA-N 1 0 227.367 3.683 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000309776609 388464099 /nfs/dbraw/zinc/46/40/99/388464099.db2.gz LUCPHWLBUWOFRE-BEAPCOKYSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000309776611 384392766 /nfs/dbraw/zinc/39/27/66/384392766.db2.gz LUCPHWLBUWOFRE-FAAHXZRKSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)C1 ZINC000309776613 388464019 /nfs/dbraw/zinc/46/40/19/388464019.db2.gz LUCPHWLBUWOFRE-UNQGMJICSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000309776615 388464005 /nfs/dbraw/zinc/46/40/05/388464005.db2.gz LUCPHWLBUWOFRE-UQOMUDLDSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000309796543 388464725 /nfs/dbraw/zinc/46/47/25/388464725.db2.gz QGSJOYBKFDSPLN-RFGFWPKPSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000309796544 534243353 /nfs/dbraw/zinc/24/33/53/534243353.db2.gz QGSJOYBKFDSPLN-RQJABVFESA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000309796545 229468271 /nfs/dbraw/zinc/46/82/71/229468271.db2.gz QGSJOYBKFDSPLN-XJFOESAGSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000309796546 384416860 /nfs/dbraw/zinc/41/68/60/384416860.db2.gz QGSJOYBKFDSPLN-ZOBORPQBSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC(C)(C)C1 ZINC000309803200 533640704 /nfs/dbraw/zinc/64/07/04/533640704.db2.gz ROJUMURWESTMJQ-NXEZZACHSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC(C)(C)C1 ZINC000309803218 388465954 /nfs/dbraw/zinc/46/59/54/388465954.db2.gz ROJUMURWESTMJQ-ZJUUUORDSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000309806928 491156345 /nfs/dbraw/zinc/15/63/45/491156345.db2.gz SJYJMMJGSLKHIC-BIGNPOOSSA-N 1 0 235.758 3.715 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000309806930 491156316 /nfs/dbraw/zinc/15/63/16/491156316.db2.gz SJYJMMJGSLKHIC-FZQKWOKYSA-N 1 0 235.758 3.715 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000309806931 491156347 /nfs/dbraw/zinc/15/63/47/491156347.db2.gz SJYJMMJGSLKHIC-IIMNLJJBSA-N 1 0 235.758 3.715 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000309806932 491156359 /nfs/dbraw/zinc/15/63/59/491156359.db2.gz SJYJMMJGSLKHIC-OWYVNGRQSA-N 1 0 235.758 3.715 10 0 BHAERO CC1CCC(C[NH2+]CCC2(F)CCC2)CC1 ZINC000309816487 168155655 /nfs/dbraw/zinc/15/56/55/168155655.db2.gz VIKTZDFXQPDNOB-UHFFFAOYSA-N 1 0 227.367 3.685 10 0 BHAERO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309830522 229594572 /nfs/dbraw/zinc/59/45/72/229594572.db2.gz YKLDNCSVXCXOJA-AAVRWANBSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309830523 398043527 /nfs/dbraw/zinc/04/35/27/398043527.db2.gz YKLDNCSVXCXOJA-RQJABVFESA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309830524 398043338 /nfs/dbraw/zinc/04/33/38/398043338.db2.gz YKLDNCSVXCXOJA-SYQHCUMBSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309830525 398043847 /nfs/dbraw/zinc/04/38/47/398043847.db2.gz YKLDNCSVXCXOJA-XJFOESAGSA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)CC(C)(C)C1 ZINC000309835129 388466406 /nfs/dbraw/zinc/46/64/06/388466406.db2.gz ZYXUULZRHWZFBC-NXEZZACHSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)CC(C)(C)C1 ZINC000309835130 388466616 /nfs/dbraw/zinc/46/66/16/388466616.db2.gz ZYXUULZRHWZFBC-UWVGGRQHSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)CC(C)(C)C1 ZINC000309835131 388466436 /nfs/dbraw/zinc/46/64/36/388466436.db2.gz ZYXUULZRHWZFBC-VHSXEESVSA-N 1 0 231.330 3.589 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)CC(C)(C)C1 ZINC000309835132 388466413 /nfs/dbraw/zinc/46/64/13/388466413.db2.gz ZYXUULZRHWZFBC-ZJUUUORDSA-N 1 0 231.330 3.589 10 0 BHAERO CCC1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309844546 388466380 /nfs/dbraw/zinc/46/63/80/388466380.db2.gz FYJLQGQMKLPRKB-JXQTWKCFSA-N 1 0 221.388 3.878 10 0 BHAERO CCC1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000309844547 388467001 /nfs/dbraw/zinc/46/70/01/388467001.db2.gz FYJLQGQMKLPRKB-RUXDESIVSA-N 1 0 221.388 3.878 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000309871090 384680068 /nfs/dbraw/zinc/68/00/68/384680068.db2.gz QREUCXONLDHLIU-FPMFFAJLSA-N 1 0 235.396 3.540 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000309871091 384678614 /nfs/dbraw/zinc/67/86/14/384678614.db2.gz QREUCXONLDHLIU-IACUBPJLSA-N 1 0 235.396 3.540 10 0 BHAERO CCC1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309884353 633901763 /nfs/dbraw/zinc/90/17/63/633901763.db2.gz XIXBJFQWQSVMAC-UHFFFAOYSA-N 1 0 231.330 3.589 10 0 BHAERO CCSCC[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000309904602 350825387 /nfs/dbraw/zinc/82/53/87/350825387.db2.gz JPASWUJNEHXKSG-KBPBESRZSA-N 1 0 241.444 3.546 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1C ZINC000309937037 491158556 /nfs/dbraw/zinc/15/85/56/491158556.db2.gz AHBNEDQHWLHYLV-GXTWGEPZSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1C ZINC000309937038 491158539 /nfs/dbraw/zinc/15/85/39/491158539.db2.gz AHBNEDQHWLHYLV-JSGCOSHPSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1C ZINC000309937039 491158543 /nfs/dbraw/zinc/15/85/43/491158543.db2.gz AHBNEDQHWLHYLV-OCCSQVGLSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1C ZINC000309937040 491158562 /nfs/dbraw/zinc/15/85/62/491158562.db2.gz AHBNEDQHWLHYLV-TZMCWYRMSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000309995842 384764077 /nfs/dbraw/zinc/76/40/77/384764077.db2.gz CDGLUDGXXYUECD-NEPJUHHUSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000309995843 384765211 /nfs/dbraw/zinc/76/52/11/384765211.db2.gz CDGLUDGXXYUECD-NWDGAFQWSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000309995845 384765648 /nfs/dbraw/zinc/76/56/48/384765648.db2.gz CDGLUDGXXYUECD-RYUDHWBXSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000309995848 384764821 /nfs/dbraw/zinc/76/48/21/384764821.db2.gz CDGLUDGXXYUECD-VXGBXAGGSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000310000107 388471780 /nfs/dbraw/zinc/47/17/80/388471780.db2.gz DNAPCUCJNTWJIN-HZSPNIEDSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000310000109 388472201 /nfs/dbraw/zinc/47/22/01/388472201.db2.gz DNAPCUCJNTWJIN-MCIONIFRSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000310000112 388472115 /nfs/dbraw/zinc/47/21/15/388472115.db2.gz DNAPCUCJNTWJIN-MGPQQGTHSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000310000114 388472050 /nfs/dbraw/zinc/47/20/50/388472050.db2.gz DNAPCUCJNTWJIN-RDBSUJKOSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000310002484 323125245 /nfs/dbraw/zinc/12/52/45/323125245.db2.gz FHWVZMYZNIMPGL-NEPJUHHUSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000310002485 323082963 /nfs/dbraw/zinc/08/29/63/323082963.db2.gz FHWVZMYZNIMPGL-NWDGAFQWSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000310002487 323125236 /nfs/dbraw/zinc/12/52/36/323125236.db2.gz FHWVZMYZNIMPGL-RYUDHWBXSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000310002488 323125238 /nfs/dbraw/zinc/12/52/38/323125238.db2.gz FHWVZMYZNIMPGL-VXGBXAGGSA-N 1 0 238.400 3.510 10 0 BHAERO CC[C@H]([NH2+]CCc1ccccc1)C(C)(C)C ZINC000310003278 529607725 /nfs/dbraw/zinc/60/77/25/529607725.db2.gz FPLCIMSMOBKMOY-AWEZNQCLSA-N 1 0 219.372 3.643 10 0 BHAERO CC[C@@H]([NH2+]CCc1ccccc1)C(C)(C)C ZINC000310003279 388471798 /nfs/dbraw/zinc/47/17/98/388471798.db2.gz FPLCIMSMOBKMOY-CQSZACIVSA-N 1 0 219.372 3.643 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1scnc1C ZINC000310006525 388472781 /nfs/dbraw/zinc/47/27/81/388472781.db2.gz GXMRQJZTZUHPOR-NEPJUHHUSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1scnc1C ZINC000310006526 388473119 /nfs/dbraw/zinc/47/31/19/388473119.db2.gz GXMRQJZTZUHPOR-NWDGAFQWSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1scnc1C ZINC000310006527 388472842 /nfs/dbraw/zinc/47/28/42/388472842.db2.gz GXMRQJZTZUHPOR-RYUDHWBXSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1scnc1C ZINC000310006528 388473280 /nfs/dbraw/zinc/47/32/80/388473280.db2.gz GXMRQJZTZUHPOR-VXGBXAGGSA-N 1 0 238.400 3.510 10 0 BHAERO CC[C@@H]([NH2+]CCc1ccc(C)o1)C(C)(C)C ZINC000310007316 326179329 /nfs/dbraw/zinc/17/93/29/326179329.db2.gz HFKQOKVNVMVQFL-CYBMUJFWSA-N 1 0 223.360 3.545 10 0 BHAERO CC[C@H]([NH2+]CCc1ccc(C)o1)C(C)(C)C ZINC000310007317 326179417 /nfs/dbraw/zinc/17/94/17/326179417.db2.gz HFKQOKVNVMVQFL-ZDUSSCGKSA-N 1 0 223.360 3.545 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310010800 388473160 /nfs/dbraw/zinc/47/31/60/388473160.db2.gz IOAZLFGHKCSOQW-CYZMBNFOSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310010801 388473309 /nfs/dbraw/zinc/47/33/09/388473309.db2.gz IOAZLFGHKCSOQW-RAIGVLPGSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310010803 388473224 /nfs/dbraw/zinc/47/32/24/388473224.db2.gz IOAZLFGHKCSOQW-RTXFEEFZSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310010805 388472690 /nfs/dbraw/zinc/47/26/90/388472690.db2.gz IOAZLFGHKCSOQW-UHTWSYAYSA-N 1 0 221.344 3.736 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1occc1C ZINC000310011844 388472800 /nfs/dbraw/zinc/47/28/00/388472800.db2.gz IWGIPAPHWPDVEE-CHWSQXEVSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1occc1C ZINC000310011845 388473089 /nfs/dbraw/zinc/47/30/89/388473089.db2.gz IWGIPAPHWPDVEE-OLZOCXBDSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1occc1C ZINC000310011846 528383358 /nfs/dbraw/zinc/38/33/58/528383358.db2.gz IWGIPAPHWPDVEE-QWHCGFSZSA-N 1 0 221.344 3.646 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1occc1C ZINC000310011847 388472685 /nfs/dbraw/zinc/47/26/85/388472685.db2.gz IWGIPAPHWPDVEE-STQMWFEESA-N 1 0 221.344 3.646 10 0 BHAERO CC[C@@H]([NH2+]CCCCOC(C)C)C(C)(C)C ZINC000310012521 529161131 /nfs/dbraw/zinc/16/11/31/529161131.db2.gz JELMQKIZSYTFFG-CYBMUJFWSA-N 1 0 229.408 3.606 10 0 BHAERO CC[C@H]([NH2+]CCCCOC(C)C)C(C)(C)C ZINC000310012522 384560733 /nfs/dbraw/zinc/56/07/33/384560733.db2.gz JELMQKIZSYTFFG-ZDUSSCGKSA-N 1 0 229.408 3.606 10 0 BHAERO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000310017645 388472763 /nfs/dbraw/zinc/47/27/63/388472763.db2.gz LNRKWZHTYFHZDI-CHWSQXEVSA-N 1 0 227.367 3.685 10 0 BHAERO CCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000310017646 527754561 /nfs/dbraw/zinc/75/45/61/527754561.db2.gz LNRKWZHTYFHZDI-OLZOCXBDSA-N 1 0 227.367 3.685 10 0 BHAERO CCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000310017647 527753628 /nfs/dbraw/zinc/75/36/28/527753628.db2.gz LNRKWZHTYFHZDI-QWHCGFSZSA-N 1 0 227.367 3.685 10 0 BHAERO CCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000310017648 388472811 /nfs/dbraw/zinc/47/28/11/388472811.db2.gz LNRKWZHTYFHZDI-STQMWFEESA-N 1 0 227.367 3.685 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000310018917 388473172 /nfs/dbraw/zinc/47/31/72/388473172.db2.gz MFKXMZRHVXXZJY-ADPBJBESSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000310018918 388473204 /nfs/dbraw/zinc/47/32/04/388473204.db2.gz MFKXMZRHVXXZJY-POSLAHMBSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000310018919 527829853 /nfs/dbraw/zinc/82/98/53/527829853.db2.gz MFKXMZRHVXXZJY-RSJDFQLWSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000310018920 384568204 /nfs/dbraw/zinc/56/82/04/384568204.db2.gz MFKXMZRHVXXZJY-RUJICJSRSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000310023660 491160298 /nfs/dbraw/zinc/16/02/98/491160298.db2.gz OKSDFSIMVSWTSL-AAEUAGOBSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000310023665 491160328 /nfs/dbraw/zinc/16/03/28/491160328.db2.gz OKSDFSIMVSWTSL-DGCLKSJQSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000310023670 491160303 /nfs/dbraw/zinc/16/03/03/491160303.db2.gz OKSDFSIMVSWTSL-WCQYABFASA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000310023674 491160307 /nfs/dbraw/zinc/16/03/07/491160307.db2.gz OKSDFSIMVSWTSL-YPMHNXCESA-N 1 0 238.400 3.510 10 0 BHAERO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C(C)(C)C ZINC000310027012 384572264 /nfs/dbraw/zinc/57/22/64/384572264.db2.gz PVQZCSVOJMQBAU-SECBINFHSA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)C(C)(C)C ZINC000310027013 529590428 /nfs/dbraw/zinc/59/04/28/529590428.db2.gz PVQZCSVOJMQBAU-VIFPVBQESA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)C(C)(C)C ZINC000310031748 384799654 /nfs/dbraw/zinc/79/96/54/384799654.db2.gz RHGMLCZZZWETLY-GHMZBOCLSA-N 1 0 240.416 3.661 10 0 BHAERO CC[C@H]([NH2+]C[C@@H](C)c1nccs1)C(C)(C)C ZINC000310031750 384799015 /nfs/dbraw/zinc/79/90/15/384799015.db2.gz RHGMLCZZZWETLY-MNOVXSKESA-N 1 0 240.416 3.661 10 0 BHAERO CC[C@H]([NH2+]C[C@H](C)c1nccs1)C(C)(C)C ZINC000310031751 384799102 /nfs/dbraw/zinc/79/91/02/384799102.db2.gz RHGMLCZZZWETLY-QWRGUYRKSA-N 1 0 240.416 3.661 10 0 BHAERO CC[C@@H]([NH2+]C[C@H](C)c1nccs1)C(C)(C)C ZINC000310031753 170900619 /nfs/dbraw/zinc/90/06/19/170900619.db2.gz RHGMLCZZZWETLY-WDEREUQCSA-N 1 0 240.416 3.661 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000310035292 491159730 /nfs/dbraw/zinc/15/97/30/491159730.db2.gz SZQUPUAWTUUHMG-CMPLNLGQSA-N 1 0 241.762 3.991 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000310035293 491159765 /nfs/dbraw/zinc/15/97/65/491159765.db2.gz SZQUPUAWTUUHMG-JQWIXIFHSA-N 1 0 241.762 3.991 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000310035294 491159769 /nfs/dbraw/zinc/15/97/69/491159769.db2.gz SZQUPUAWTUUHMG-PWSUYJOCSA-N 1 0 241.762 3.991 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000310035295 491159750 /nfs/dbraw/zinc/15/97/50/491159750.db2.gz SZQUPUAWTUUHMG-ZYHUDNBSSA-N 1 0 241.762 3.991 10 0 BHAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000310035905 388474596 /nfs/dbraw/zinc/47/45/96/388474596.db2.gz UGDDNPOCGLKVLM-GUTXKFCHSA-N 1 0 217.356 3.834 10 0 BHAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000310035906 388474924 /nfs/dbraw/zinc/47/49/24/388474924.db2.gz UGDDNPOCGLKVLM-GZBFAFLISA-N 1 0 217.356 3.834 10 0 BHAERO CCc1cnc(C[NH2+][C@H](CC)C(C)(C)C)s1 ZINC000310037509 398052839 /nfs/dbraw/zinc/05/28/39/398052839.db2.gz VEUIBFZHQMULPG-LLVKDONJSA-N 1 0 240.416 3.620 10 0 BHAERO CCc1cnc(C[NH2+][C@@H](CC)C(C)(C)C)s1 ZINC000310037510 384589421 /nfs/dbraw/zinc/58/94/21/384589421.db2.gz VEUIBFZHQMULPG-NSHDSACASA-N 1 0 240.416 3.620 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000310037514 384589068 /nfs/dbraw/zinc/58/90/68/384589068.db2.gz VFCIVYAXLXSVGI-KBPBESRZSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000310037515 384590446 /nfs/dbraw/zinc/59/04/46/384590446.db2.gz VFCIVYAXLXSVGI-KGLIPLIRSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000310037516 398052793 /nfs/dbraw/zinc/05/27/93/398052793.db2.gz VFCIVYAXLXSVGI-UONOGXRCSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000310037517 398052800 /nfs/dbraw/zinc/05/28/00/398052800.db2.gz VFCIVYAXLXSVGI-ZIAGYGMSSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000310041630 384601311 /nfs/dbraw/zinc/60/13/11/384601311.db2.gz YUQJKMDMEMQFLH-KBPBESRZSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000310041631 384602239 /nfs/dbraw/zinc/60/22/39/384602239.db2.gz YUQJKMDMEMQFLH-KGLIPLIRSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000310041632 528383827 /nfs/dbraw/zinc/38/38/27/528383827.db2.gz YUQJKMDMEMQFLH-UONOGXRCSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000310041633 527763211 /nfs/dbraw/zinc/76/32/11/527763211.db2.gz YUQJKMDMEMQFLH-ZIAGYGMSSA-N 1 0 237.412 3.849 10 0 BHAERO Cc1cnc([C@@H](C)N[C@@H]2C=CCCCCC2)o1 ZINC000310069731 411201499 /nfs/dbraw/zinc/20/14/99/411201499.db2.gz LEQIRLXOUYXBSZ-CHWSQXEVSA-N 1 0 234.343 3.523 10 0 BHAERO Cc1cnc([C@@H](C)N[C@H]2C=CCCCCC2)o1 ZINC000310069732 411201965 /nfs/dbraw/zinc/20/19/65/411201965.db2.gz LEQIRLXOUYXBSZ-OLZOCXBDSA-N 1 0 234.343 3.523 10 0 BHAERO Cc1cnc([C@H](C)N[C@@H]2C=CCCCCC2)o1 ZINC000310069734 411201873 /nfs/dbraw/zinc/20/18/73/411201873.db2.gz LEQIRLXOUYXBSZ-QWHCGFSZSA-N 1 0 234.343 3.523 10 0 BHAERO Cc1cnc([C@H](C)N[C@H]2C=CCCCCC2)o1 ZINC000310069735 411202193 /nfs/dbraw/zinc/20/21/93/411202193.db2.gz LEQIRLXOUYXBSZ-STQMWFEESA-N 1 0 234.343 3.523 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]CC(C(C)C)C(C)C)o1 ZINC000310126931 388476784 /nfs/dbraw/zinc/47/67/84/388476784.db2.gz XERTUNKTLQMIEO-GFCCVEGCSA-N 1 0 238.375 3.562 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]CC(C(C)C)C(C)C)o1 ZINC000310126932 388476561 /nfs/dbraw/zinc/47/65/61/388476561.db2.gz XERTUNKTLQMIEO-LBPRGKRZSA-N 1 0 238.375 3.562 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]CCCCCF)cc1F ZINC000310140984 384647488 /nfs/dbraw/zinc/64/74/88/384647488.db2.gz CZMNQRZTXROMBI-LBPRGKRZSA-N 1 0 241.325 3.925 10 0 BHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCF ZINC000310252183 384729538 /nfs/dbraw/zinc/72/95/38/384729538.db2.gz YPAPMCICSXBRIB-AWEZNQCLSA-N 1 0 235.346 3.649 10 0 BHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCF ZINC000310252184 384728297 /nfs/dbraw/zinc/72/82/97/384728297.db2.gz YPAPMCICSXBRIB-CQSZACIVSA-N 1 0 235.346 3.649 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000310314744 387537477 /nfs/dbraw/zinc/53/74/77/387537477.db2.gz WGPKKUCFMKABHI-CMPLNLGQSA-N 1 0 238.375 3.848 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000310314749 387537626 /nfs/dbraw/zinc/53/76/26/387537626.db2.gz WGPKKUCFMKABHI-JQWIXIFHSA-N 1 0 238.375 3.848 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000310314754 387538386 /nfs/dbraw/zinc/53/83/86/387538386.db2.gz WGPKKUCFMKABHI-PWSUYJOCSA-N 1 0 238.375 3.848 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000310314759 384131921 /nfs/dbraw/zinc/13/19/21/384131921.db2.gz WGPKKUCFMKABHI-ZYHUDNBSSA-N 1 0 238.375 3.848 10 0 BHAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000310324010 347263409 /nfs/dbraw/zinc/26/34/09/347263409.db2.gz YGMOHYMGUNONRE-AXFHLTTASA-N 1 0 249.320 3.886 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)[C@@H]1CCCO1 ZINC000310340838 491161091 /nfs/dbraw/zinc/16/10/91/491161091.db2.gz MPRUCORXRJPDFB-GUTXKFCHSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)[C@H]1CCCO1 ZINC000310340839 491161092 /nfs/dbraw/zinc/16/10/92/491161092.db2.gz MPRUCORXRJPDFB-GZBFAFLISA-N 1 0 239.403 3.502 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@H]1CCCO1 ZINC000310340840 491161089 /nfs/dbraw/zinc/16/10/89/491161089.db2.gz MPRUCORXRJPDFB-KCQAQPDRSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@@H]1CCCO1 ZINC000310340841 491161090 /nfs/dbraw/zinc/16/10/90/491161090.db2.gz MPRUCORXRJPDFB-YDHLFZDLSA-N 1 0 239.403 3.502 10 0 BHAERO CCSCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000310445829 323131844 /nfs/dbraw/zinc/13/18/44/323131844.db2.gz YGXMSIPAOZMNJX-HNNXBMFYSA-N 1 0 249.423 3.797 10 0 BHAERO CCSCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000310445830 323131887 /nfs/dbraw/zinc/13/18/87/323131887.db2.gz YGXMSIPAOZMNJX-OAHLLOKOSA-N 1 0 249.423 3.797 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1F ZINC000310478418 229501132 /nfs/dbraw/zinc/50/11/32/229501132.db2.gz DDBLRUPHNQJJHO-JUFZMCDQSA-N 1 0 235.346 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1F ZINC000310478420 388483444 /nfs/dbraw/zinc/48/34/44/388483444.db2.gz DDBLRUPHNQJJHO-MCYUEQNJSA-N 1 0 235.346 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1F ZINC000310478422 388483839 /nfs/dbraw/zinc/48/38/39/388483839.db2.gz DDBLRUPHNQJJHO-OXJKWZBOSA-N 1 0 235.346 3.829 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1F ZINC000310478424 388484079 /nfs/dbraw/zinc/48/40/79/388484079.db2.gz DDBLRUPHNQJJHO-OZTPJHRESA-N 1 0 235.346 3.829 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)[C@H]1C ZINC000310485640 388483716 /nfs/dbraw/zinc/48/37/16/388483716.db2.gz FWQMFBKXEKBWOW-FESBJMALSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)[C@@H]1C ZINC000310485642 388484189 /nfs/dbraw/zinc/48/41/89/388484189.db2.gz FWQMFBKXEKBWOW-GQYKCQBRSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)[C@@H]1C ZINC000310485644 388484158 /nfs/dbraw/zinc/48/41/58/388484158.db2.gz FWQMFBKXEKBWOW-PSEORLGDSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)[C@H]1C ZINC000310485646 388483979 /nfs/dbraw/zinc/48/39/79/388483979.db2.gz FWQMFBKXEKBWOW-SGCDDIOWSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1F ZINC000310495029 411239971 /nfs/dbraw/zinc/23/99/71/411239971.db2.gz KBLNOLWIQTXIMO-HTTKSJEASA-N 1 0 233.330 3.665 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000310519593 388484088 /nfs/dbraw/zinc/48/40/88/388484088.db2.gz NFJIKKURSQWKKC-AEISUSGSSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000310519596 388483679 /nfs/dbraw/zinc/48/36/79/388483679.db2.gz NFJIKKURSQWKKC-RUMNANIHSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000310547422 385111442 /nfs/dbraw/zinc/11/14/42/385111442.db2.gz VKTRFZFKPKQNAP-IIRVCBMXSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]1C ZINC000310547423 384867174 /nfs/dbraw/zinc/86/71/74/384867174.db2.gz VKTRFZFKPKQNAP-OOCWMUITSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H]1C ZINC000310547424 384864140 /nfs/dbraw/zinc/86/41/40/384864140.db2.gz VKTRFZFKPKQNAP-ROHXPCBUSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000310547425 384864239 /nfs/dbraw/zinc/86/42/39/384864239.db2.gz VKTRFZFKPKQNAP-ZIQFBCGOSA-N 1 0 249.320 3.742 10 0 BHAERO Cc1ccccc1[C@@H]([NH2+]CCF)c1ccccc1 ZINC000310640020 384912099 /nfs/dbraw/zinc/91/20/99/384912099.db2.gz BVISQOBGNIBQLV-INIZCTEOSA-N 1 0 243.325 3.644 10 0 BHAERO Cc1ccccc1[C@H]([NH2+]CCF)c1ccccc1 ZINC000310640021 384912380 /nfs/dbraw/zinc/91/23/80/384912380.db2.gz BVISQOBGNIBQLV-MRXNPFEDSA-N 1 0 243.325 3.644 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(C)c1 ZINC000310757501 385157554 /nfs/dbraw/zinc/15/75/54/385157554.db2.gz JUMLMCGXQGIUCY-BPUTZDHNSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(C)c1 ZINC000310757502 385159115 /nfs/dbraw/zinc/15/91/15/385159115.db2.gz JUMLMCGXQGIUCY-CWRNSKLLSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(C)c1 ZINC000310757504 171544867 /nfs/dbraw/zinc/54/48/67/171544867.db2.gz JUMLMCGXQGIUCY-KBMXLJTQSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1cccc(C)c1 ZINC000310757960 171545346 /nfs/dbraw/zinc/54/53/46/171545346.db2.gz JUMLMCGXQGIUCY-VNQPRFMTSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(C)c1 ZINC000310774924 491162614 /nfs/dbraw/zinc/16/26/14/491162614.db2.gz NNOQIMWXODYGRR-CVEARBPZSA-N 1 0 247.382 3.605 10 0 BHAERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(C)c1 ZINC000310774926 491162616 /nfs/dbraw/zinc/16/26/16/491162616.db2.gz NNOQIMWXODYGRR-HOTGVXAUSA-N 1 0 247.382 3.605 10 0 BHAERO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(C)c1 ZINC000310774928 491162617 /nfs/dbraw/zinc/16/26/17/491162617.db2.gz NNOQIMWXODYGRR-HZPDHXFCSA-N 1 0 247.382 3.605 10 0 BHAERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(C)c1 ZINC000310774929 491162613 /nfs/dbraw/zinc/16/26/13/491162613.db2.gz NNOQIMWXODYGRR-JKSUJKDBSA-N 1 0 247.382 3.605 10 0 BHAERO Cc1cc(-c2ccc(C[NH2+]C(C)C)cc2)sn1 ZINC000311814539 634272290 /nfs/dbraw/zinc/27/22/90/634272290.db2.gz XISSDTZNILDURA-UHFFFAOYSA-N 1 0 246.379 3.617 10 0 BHAERO Clc1sccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000312775832 585013984 /nfs/dbraw/zinc/01/39/84/585013984.db2.gz XAPHBFYSTGXBAR-JMJZKYOTSA-N 1 0 241.787 3.680 10 0 BHAERO CCC[C@H]([NH2+]CC[C@H]1CCCO1)C1CCCC1 ZINC000313380858 411420249 /nfs/dbraw/zinc/42/02/49/411420249.db2.gz CEXHJMFHEBGUJS-CABCVRRESA-N 1 0 239.403 3.504 10 0 BHAERO CCC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000313380859 411419941 /nfs/dbraw/zinc/41/99/41/411419941.db2.gz CEXHJMFHEBGUJS-GJZGRUSLSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCCC1 ZINC000313380860 411419732 /nfs/dbraw/zinc/41/97/32/411419732.db2.gz CEXHJMFHEBGUJS-HUUCEWRRSA-N 1 0 239.403 3.504 10 0 BHAERO CCC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000313380861 411420851 /nfs/dbraw/zinc/42/08/51/411420851.db2.gz CEXHJMFHEBGUJS-LSDHHAIUSA-N 1 0 239.403 3.504 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccs1)[C@@H]1C[C@H]1C ZINC000321015277 262811515 /nfs/dbraw/zinc/81/15/15/262811515.db2.gz AQPJKLAXDOBNIG-KKOKHZNYSA-N 1 0 223.385 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccs1)[C@@H]1C[C@@H]1C ZINC000321015281 262811566 /nfs/dbraw/zinc/81/15/66/262811566.db2.gz AQPJKLAXDOBNIG-QCNOEVLYSA-N 1 0 223.385 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccs1)[C@H]1C[C@@H]1C ZINC000321015284 262811546 /nfs/dbraw/zinc/81/15/46/262811546.db2.gz AQPJKLAXDOBNIG-USZNOCQGSA-N 1 0 223.385 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cccs1)[C@H]1C[C@H]1C ZINC000321015286 262811541 /nfs/dbraw/zinc/81/15/41/262811541.db2.gz AQPJKLAXDOBNIG-WYUUTHIRSA-N 1 0 223.385 3.833 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000321061876 387939879 /nfs/dbraw/zinc/93/98/79/387939879.db2.gz JBZSFDWJQKYGPK-DTHBNOIPSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H]1C[C@@H]1C ZINC000321061877 259468184 /nfs/dbraw/zinc/46/81/84/259468184.db2.gz JBZSFDWJQKYGPK-GUDRVLHUSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000321061878 387939368 /nfs/dbraw/zinc/93/93/68/387939368.db2.gz JBZSFDWJQKYGPK-KLBPJQLPSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1C ZINC000321061879 387940057 /nfs/dbraw/zinc/94/00/57/387940057.db2.gz JBZSFDWJQKYGPK-UXCLJVHYSA-N 1 0 239.309 3.660 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)[C@@H]1C[C@H]1C ZINC000321106188 323377058 /nfs/dbraw/zinc/37/70/58/323377058.db2.gz PVZHIEPTEUNJBC-JHEVNIALSA-N 1 0 221.344 3.673 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)[C@H]1C[C@@H]1C ZINC000321106190 323376775 /nfs/dbraw/zinc/37/67/75/323376775.db2.gz PVZHIEPTEUNJBC-RYDUCSDGSA-N 1 0 221.344 3.673 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)[C@@H]1C[C@@H]1C ZINC000321106192 323376665 /nfs/dbraw/zinc/37/66/65/323376665.db2.gz PVZHIEPTEUNJBC-SQNXGDPESA-N 1 0 221.344 3.673 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)[C@H]1C[C@H]1C ZINC000321106193 323377216 /nfs/dbraw/zinc/37/72/16/323377216.db2.gz PVZHIEPTEUNJBC-XEZLXBQYSA-N 1 0 221.344 3.673 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@@H]1C[C@@H]1C ZINC000321114125 487937787 /nfs/dbraw/zinc/93/77/87/487937787.db2.gz RBPXCNDSHDHMFT-MIZYBKAJSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@@H]1C[C@H]1C ZINC000321114126 488128110 /nfs/dbraw/zinc/12/81/10/488128110.db2.gz RBPXCNDSHDHMFT-MWGHHZFTSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000321114128 488127984 /nfs/dbraw/zinc/12/79/84/488127984.db2.gz RBPXCNDSHDHMFT-SVDPJWKOSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H]1C[C@@H]1C ZINC000321114130 487744193 /nfs/dbraw/zinc/74/41/93/487744193.db2.gz RBPXCNDSHDHMFT-WYFGTUCQSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000321148767 387951132 /nfs/dbraw/zinc/95/11/32/387951132.db2.gz VZTXAQYDMVIXIE-QISWUMQESA-N 1 0 239.309 3.660 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H]1C[C@@H]1C ZINC000321148770 259469877 /nfs/dbraw/zinc/46/98/77/259469877.db2.gz VZTXAQYDMVIXIE-XHSYRHOGSA-N 1 0 239.309 3.660 10 0 BHAERO Cc1occc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000321216713 387058417 /nfs/dbraw/zinc/05/84/17/387058417.db2.gz JJVWLFNEIQDSFN-UHFFFAOYSA-N 1 0 245.366 3.502 10 0 BHAERO CC[C@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000321706074 488149992 /nfs/dbraw/zinc/14/99/92/488149992.db2.gz UQIBYDSOYOHSFG-KCXAZCMYSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[C@@H]1C ZINC000321706076 488150249 /nfs/dbraw/zinc/15/02/49/488150249.db2.gz UQIBYDSOYOHSFG-MAZHCROVSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1C[C@@H]1C ZINC000321706077 488150137 /nfs/dbraw/zinc/15/01/37/488150137.db2.gz UQIBYDSOYOHSFG-RCBQFDQVSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000321706079 488150239 /nfs/dbraw/zinc/15/02/39/488150239.db2.gz UQIBYDSOYOHSFG-WQVCFCJDSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000321706879 488149905 /nfs/dbraw/zinc/14/99/05/488149905.db2.gz UQXIADXHEYHXMA-KCXAZCMYSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@@H]1C ZINC000321706882 488150337 /nfs/dbraw/zinc/15/03/37/488150337.db2.gz UQXIADXHEYHXMA-MAZHCROVSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1C[C@@H]1C ZINC000321706885 487757739 /nfs/dbraw/zinc/75/77/39/487757739.db2.gz UQXIADXHEYHXMA-RCBQFDQVSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000321706887 487757667 /nfs/dbraw/zinc/75/76/67/487757667.db2.gz UQXIADXHEYHXMA-WQVCFCJDSA-N 1 0 246.398 3.595 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1C[C@@H]1C ZINC000321893671 323390544 /nfs/dbraw/zinc/39/05/44/323390544.db2.gz MBRQGXLKDASOPG-CYUUQNCZSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1C[C@@H]1C ZINC000321893675 323390440 /nfs/dbraw/zinc/39/04/40/323390440.db2.gz MBRQGXLKDASOPG-PMOUVXMZSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]1C ZINC000321893679 323390568 /nfs/dbraw/zinc/39/05/68/323390568.db2.gz MBRQGXLKDASOPG-REBRKWNGSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1C[C@H]1C ZINC000321893683 323390433 /nfs/dbraw/zinc/39/04/33/323390433.db2.gz MBRQGXLKDASOPG-UQOMUDLDSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]1C ZINC000321988330 387344836 /nfs/dbraw/zinc/34/48/36/387344836.db2.gz DRMRMTBPFIJQKL-FESBJMALSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]1C ZINC000321988332 387344701 /nfs/dbraw/zinc/34/47/01/387344701.db2.gz DRMRMTBPFIJQKL-GQYKCQBRSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1C[C@H]1C ZINC000321988334 259482975 /nfs/dbraw/zinc/48/29/75/259482975.db2.gz DRMRMTBPFIJQKL-PSEORLGDSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1C[C@H]1C ZINC000321988335 387344226 /nfs/dbraw/zinc/34/42/26/387344226.db2.gz DRMRMTBPFIJQKL-SGCDDIOWSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@H]1C ZINC000321992125 387346242 /nfs/dbraw/zinc/34/62/42/387346242.db2.gz FGGPTFOWIHGKGV-DGORSVRFSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@H]1C ZINC000321992126 387346686 /nfs/dbraw/zinc/34/66/86/387346686.db2.gz FGGPTFOWIHGKGV-IIRVCBMXSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1C ZINC000321992127 387346589 /nfs/dbraw/zinc/34/65/89/387346589.db2.gz FGGPTFOWIHGKGV-LVEVGFFFSA-N 1 0 249.320 3.742 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1C ZINC000321992128 387346373 /nfs/dbraw/zinc/34/63/73/387346373.db2.gz FGGPTFOWIHGKGV-ROHXPCBUSA-N 1 0 249.320 3.742 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)c1nccs1)[C@@H]1C[C@H]1C ZINC000322131793 488171085 /nfs/dbraw/zinc/17/10/85/488171085.db2.gz FBYSGNLVVNSBNB-KKOKHZNYSA-N 1 0 238.400 3.618 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)c1nccs1)[C@H]1C[C@H]1C ZINC000322131794 488171301 /nfs/dbraw/zinc/17/13/01/488171301.db2.gz FBYSGNLVVNSBNB-KXNHARMFSA-N 1 0 238.400 3.618 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)c1nccs1)[C@@H]1C[C@@H]1C ZINC000322131795 488171133 /nfs/dbraw/zinc/17/11/33/488171133.db2.gz FBYSGNLVVNSBNB-QCNOEVLYSA-N 1 0 238.400 3.618 10 0 BHAERO CC[C@@H]([NH2+][C@@H](CC)c1nccs1)[C@H]1C[C@@H]1C ZINC000322131796 488171293 /nfs/dbraw/zinc/17/12/93/488171293.db2.gz FBYSGNLVVNSBNB-YFKTTZPYSA-N 1 0 238.400 3.618 10 0 BHAERO CC[C@H]([NH2+]CCC1=CCCC1)[C@@H]1C[C@H]1C ZINC000322157218 488136544 /nfs/dbraw/zinc/13/65/44/488136544.db2.gz JISISKNKPUWANL-BNOWGMLFSA-N 1 0 207.361 3.511 10 0 BHAERO CC[C@H]([NH2+]CCC1=CCCC1)[C@H]1C[C@@H]1C ZINC000322157219 488171858 /nfs/dbraw/zinc/17/18/58/488171858.db2.gz JISISKNKPUWANL-UBHSHLNASA-N 1 0 207.361 3.511 10 0 BHAERO CC[C@H]([NH2+]CCC1=CCCC1)[C@H]1C[C@H]1C ZINC000322157220 488171869 /nfs/dbraw/zinc/17/18/69/488171869.db2.gz JISISKNKPUWANL-XBFCOCLRSA-N 1 0 207.361 3.511 10 0 BHAERO CC[C@H]([NH2+]CCC1=CCCC1)[C@@H]1C[C@@H]1C ZINC000322157221 488171999 /nfs/dbraw/zinc/17/19/99/488171999.db2.gz JISISKNKPUWANL-YUTCNCBUSA-N 1 0 207.361 3.511 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)s1)[C@@H]1C[C@@H]1C ZINC000322226519 488175508 /nfs/dbraw/zinc/17/55/08/488175508.db2.gz YOQMYPKMGJLMBH-GMNPVEAJSA-N 1 0 238.400 3.537 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)s1)[C@@H]1C[C@H]1C ZINC000322226520 488175315 /nfs/dbraw/zinc/17/53/15/488175315.db2.gz YOQMYPKMGJLMBH-HKWIRBFKSA-N 1 0 238.400 3.537 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)s1)[C@H]1C[C@@H]1C ZINC000322226521 488175341 /nfs/dbraw/zinc/17/53/41/488175341.db2.gz YOQMYPKMGJLMBH-IELRGYKMSA-N 1 0 238.400 3.537 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)s1)[C@H]1C[C@H]1C ZINC000322226522 488175475 /nfs/dbraw/zinc/17/54/75/488175475.db2.gz YOQMYPKMGJLMBH-YJQGPUDQSA-N 1 0 238.400 3.537 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CCC1 ZINC000322709424 388444060 /nfs/dbraw/zinc/44/40/60/388444060.db2.gz QNFWCKFBZAHFBY-CABCVRRESA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CCC1 ZINC000322709425 388443797 /nfs/dbraw/zinc/44/37/97/388443797.db2.gz QNFWCKFBZAHFBY-GJZGRUSLSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCC1 ZINC000322709426 388443970 /nfs/dbraw/zinc/44/39/70/388443970.db2.gz QNFWCKFBZAHFBY-HUUCEWRRSA-N 1 0 245.366 3.679 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCC1 ZINC000322709427 388444342 /nfs/dbraw/zinc/44/43/42/388444342.db2.gz QNFWCKFBZAHFBY-LSDHHAIUSA-N 1 0 245.366 3.679 10 0 BHAERO CC(C)[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000324477247 537916043 /nfs/dbraw/zinc/91/60/43/537916043.db2.gz BIGXBQYBGQCFGB-GDBMZVCRSA-N 1 0 245.366 3.534 10 0 BHAERO CC(C)[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000324477248 537915602 /nfs/dbraw/zinc/91/56/02/537915602.db2.gz BIGXBQYBGQCFGB-GOEBONIOSA-N 1 0 245.366 3.534 10 0 BHAERO CC(C)[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000324477249 537916388 /nfs/dbraw/zinc/91/63/88/537916388.db2.gz BIGXBQYBGQCFGB-HOCLYGCPSA-N 1 0 245.366 3.534 10 0 BHAERO CC(C)[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000324477250 537915389 /nfs/dbraw/zinc/91/53/89/537915389.db2.gz BIGXBQYBGQCFGB-ZBFHGGJFSA-N 1 0 245.366 3.534 10 0 BHAERO Cc1ccnc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000327981548 538096167 /nfs/dbraw/zinc/09/61/67/538096167.db2.gz IVOBZTIWICFFQR-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc([C@H](C)[NH2+]Cc2cc(C)ccn2)c1 ZINC000328292488 487645562 /nfs/dbraw/zinc/64/55/62/487645562.db2.gz RWAFETSDTKXSMF-AWEZNQCLSA-N 1 0 240.350 3.549 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+]Cc2cc(C)ccn2)c1 ZINC000328292489 487645000 /nfs/dbraw/zinc/64/50/00/487645000.db2.gz RWAFETSDTKXSMF-CQSZACIVSA-N 1 0 240.350 3.549 10 0 BHAERO CC[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(C)C ZINC000328465116 324568778 /nfs/dbraw/zinc/56/87/78/324568778.db2.gz LCQMCZUHNZBSNT-LLVKDONJSA-N 1 0 241.762 3.570 10 0 BHAERO CC[C@H]([NH2+]Cc1cccc(O)c1Cl)C(C)C ZINC000328465117 388643677 /nfs/dbraw/zinc/64/36/77/388643677.db2.gz LCQMCZUHNZBSNT-NSHDSACASA-N 1 0 241.762 3.570 10 0 BHAERO CC(C)(CC[NH2+]CCc1ccccc1)C1CC1 ZINC000328465254 633768776 /nfs/dbraw/zinc/76/87/76/633768776.db2.gz WUTNPAFYQNAWMZ-UHFFFAOYSA-N 1 0 231.383 3.645 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCC23CCCC3)o1 ZINC000335919530 384707556 /nfs/dbraw/zinc/70/75/56/384707556.db2.gz XOLZPYUIWYOEJK-CHWSQXEVSA-N 1 0 248.370 3.747 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCC23CCCC3)o1 ZINC000335919531 384706989 /nfs/dbraw/zinc/70/69/89/384706989.db2.gz XOLZPYUIWYOEJK-OLZOCXBDSA-N 1 0 248.370 3.747 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCC23CCCC3)o1 ZINC000335919532 384708467 /nfs/dbraw/zinc/70/84/67/384708467.db2.gz XOLZPYUIWYOEJK-QWHCGFSZSA-N 1 0 248.370 3.747 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCC23CCCC3)o1 ZINC000335919533 384708420 /nfs/dbraw/zinc/70/84/20/384708420.db2.gz XOLZPYUIWYOEJK-STQMWFEESA-N 1 0 248.370 3.747 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000336662019 388259838 /nfs/dbraw/zinc/25/98/38/388259838.db2.gz CVOBLLORCAAYTE-FPMFFAJLSA-N 1 0 235.396 3.540 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000336662032 388259961 /nfs/dbraw/zinc/25/99/61/388259961.db2.gz CVOBLLORCAAYTE-IACUBPJLSA-N 1 0 235.396 3.540 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000336662033 388259908 /nfs/dbraw/zinc/25/99/08/388259908.db2.gz CVOBLLORCAAYTE-KWCYVHTRSA-N 1 0 235.396 3.540 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000336662034 188163271 /nfs/dbraw/zinc/16/32/71/188163271.db2.gz CVOBLLORCAAYTE-MRVWCRGKSA-N 1 0 235.396 3.540 10 0 BHAERO CC[C@@H]([NH2+]Cc1csc(C)c1)C(C)C ZINC000336679156 350895107 /nfs/dbraw/zinc/89/51/07/350895107.db2.gz FSUIAOBDNLBFOI-GFCCVEGCSA-N 1 0 211.374 3.581 10 0 BHAERO CC[C@H]([NH2+]Cc1csc(C)c1)C(C)C ZINC000336679157 171533258 /nfs/dbraw/zinc/53/32/58/171533258.db2.gz FSUIAOBDNLBFOI-LBPRGKRZSA-N 1 0 211.374 3.581 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000336685969 385698740 /nfs/dbraw/zinc/69/87/40/385698740.db2.gz UKJWRIZDSBOMLS-MYZSUADSSA-N 1 0 217.356 3.772 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000336685970 385100865 /nfs/dbraw/zinc/10/08/65/385100865.db2.gz UKJWRIZDSBOMLS-NZBPQXDJSA-N 1 0 217.356 3.772 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000336685971 171542835 /nfs/dbraw/zinc/54/28/35/171542835.db2.gz UKJWRIZDSBOMLS-PAPYEOQZSA-N 1 0 217.356 3.772 10 0 BHAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000336685972 171543256 /nfs/dbraw/zinc/54/32/56/171543256.db2.gz UKJWRIZDSBOMLS-RJZRQDKASA-N 1 0 217.356 3.772 10 0 BHAERO Cc1nc([C@@H](C)[NH2+]C[C@H](C)CC(C)C)cs1 ZINC000336694200 180038183 /nfs/dbraw/zinc/03/81/83/180038183.db2.gz XWGQILWHHUNCKT-GHMZBOCLSA-N 1 0 240.416 3.784 10 0 BHAERO Cc1nc([C@H](C)[NH2+]C[C@H](C)CC(C)C)cs1 ZINC000336694203 180049089 /nfs/dbraw/zinc/04/90/89/180049089.db2.gz XWGQILWHHUNCKT-MNOVXSKESA-N 1 0 240.416 3.784 10 0 BHAERO Cc1nc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)cs1 ZINC000336694204 180049638 /nfs/dbraw/zinc/04/96/38/180049638.db2.gz XWGQILWHHUNCKT-QWRGUYRKSA-N 1 0 240.416 3.784 10 0 BHAERO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)cs1 ZINC000336694205 180038086 /nfs/dbraw/zinc/03/80/86/180038086.db2.gz XWGQILWHHUNCKT-WDEREUQCSA-N 1 0 240.416 3.784 10 0 BHAERO CCSCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000336712885 398205084 /nfs/dbraw/zinc/20/50/84/398205084.db2.gz RAJPCRYAFUZVAJ-DOMZBBRYSA-N 1 0 249.423 3.968 10 0 BHAERO CCSCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000336712887 398205052 /nfs/dbraw/zinc/20/50/52/398205052.db2.gz RAJPCRYAFUZVAJ-IUODEOHRSA-N 1 0 249.423 3.968 10 0 BHAERO CCSCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000336712889 398205073 /nfs/dbraw/zinc/20/50/73/398205073.db2.gz RAJPCRYAFUZVAJ-SWLSCSKDSA-N 1 0 249.423 3.968 10 0 BHAERO CCSCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000336712892 398205016 /nfs/dbraw/zinc/20/50/16/398205016.db2.gz RAJPCRYAFUZVAJ-WFASDCNBSA-N 1 0 249.423 3.968 10 0 BHAERO CC(C)SCC[NH2+]CC1CCC(C)CC1 ZINC000336718469 168154807 /nfs/dbraw/zinc/15/48/07/168154807.db2.gz YMADMIHZAUGBLM-UHFFFAOYSA-N 1 0 229.433 3.544 10 0 BHAERO CC[C@@H]([NH2+]Cc1scnc1C1CC1)C(C)C ZINC000336741396 537834111 /nfs/dbraw/zinc/83/41/11/537834111.db2.gz QZBUWKNWPPNZCG-LLVKDONJSA-N 1 0 238.400 3.545 10 0 BHAERO CC[C@H]([NH2+]Cc1scnc1C1CC1)C(C)C ZINC000336741397 537835279 /nfs/dbraw/zinc/83/52/79/537835279.db2.gz QZBUWKNWPPNZCG-NSHDSACASA-N 1 0 238.400 3.545 10 0 BHAERO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)cs1 ZINC000336741924 180050399 /nfs/dbraw/zinc/05/03/99/180050399.db2.gz NRQKEJYQTRGVHS-ATZCPNFKSA-N 1 0 238.400 3.537 10 0 BHAERO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)cs1 ZINC000336741925 180051685 /nfs/dbraw/zinc/05/16/85/180051685.db2.gz NRQKEJYQTRGVHS-QXEWZRGKSA-N 1 0 238.400 3.537 10 0 BHAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)cs1 ZINC000336741926 180051328 /nfs/dbraw/zinc/05/13/28/180051328.db2.gz NRQKEJYQTRGVHS-WCABBAIRSA-N 1 0 238.400 3.537 10 0 BHAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)cs1 ZINC000336741927 180050234 /nfs/dbraw/zinc/05/02/34/180050234.db2.gz NRQKEJYQTRGVHS-YWVKMMECSA-N 1 0 238.400 3.537 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000336745635 169526686 /nfs/dbraw/zinc/52/66/86/169526686.db2.gz VSRNBXYZYNHHGO-AAEUAGOBSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000336745636 387002754 /nfs/dbraw/zinc/00/27/54/387002754.db2.gz VSRNBXYZYNHHGO-DGCLKSJQSA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000336745637 387003377 /nfs/dbraw/zinc/00/33/77/387003377.db2.gz VSRNBXYZYNHHGO-WCQYABFASA-N 1 0 238.400 3.510 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000336745638 169418910 /nfs/dbraw/zinc/41/89/10/169418910.db2.gz VSRNBXYZYNHHGO-YPMHNXCESA-N 1 0 238.400 3.510 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1 ZINC000336749750 385999056 /nfs/dbraw/zinc/99/90/56/385999056.db2.gz YXZKVMXTWKHDOV-AEGPPILISA-N 1 0 217.356 3.916 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccccc1 ZINC000336749751 171549337 /nfs/dbraw/zinc/54/93/37/171549337.db2.gz YXZKVMXTWKHDOV-QEJZJMRPSA-N 1 0 217.356 3.916 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccccc1 ZINC000336749752 385999696 /nfs/dbraw/zinc/99/96/96/385999696.db2.gz YXZKVMXTWKHDOV-SNPRPXQTSA-N 1 0 217.356 3.916 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccccc1 ZINC000336749753 385999819 /nfs/dbraw/zinc/99/98/19/385999819.db2.gz YXZKVMXTWKHDOV-VHDGCEQUSA-N 1 0 217.356 3.916 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)oc1C ZINC000336765800 178232803 /nfs/dbraw/zinc/23/28/03/178232803.db2.gz RNTFFEWFUITKAF-GHMZBOCLSA-N 1 0 209.333 3.592 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)oc1C ZINC000336765801 178256571 /nfs/dbraw/zinc/25/65/71/178256571.db2.gz RNTFFEWFUITKAF-MNOVXSKESA-N 1 0 209.333 3.592 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)oc1C ZINC000336765802 178251365 /nfs/dbraw/zinc/25/13/65/178251365.db2.gz RNTFFEWFUITKAF-QWRGUYRKSA-N 1 0 209.333 3.592 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)oc1C ZINC000336765803 178228481 /nfs/dbraw/zinc/22/84/81/178228481.db2.gz RNTFFEWFUITKAF-WDEREUQCSA-N 1 0 209.333 3.592 10 0 BHAERO CCC(CC)n1ccc(C[NH2+]C2(C(C)C)CC2)n1 ZINC000339517829 388484803 /nfs/dbraw/zinc/48/48/03/388484803.db2.gz XZWWHSDIKQHOOI-UHFFFAOYSA-N 1 0 249.402 3.522 10 0 BHAERO CSc1ccccc1C[NH2+]C1(C(C)C)CC1 ZINC000339519804 385013819 /nfs/dbraw/zinc/01/38/19/385013819.db2.gz WBSKFOSDEKJZKS-UHFFFAOYSA-N 1 0 235.396 3.687 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340230577 176906779 /nfs/dbraw/zinc/90/67/79/176906779.db2.gz HHSOKJSRIQWOMZ-JRPNMDOOSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340230578 388489126 /nfs/dbraw/zinc/48/91/26/388489126.db2.gz HHSOKJSRIQWOMZ-PGUXBMHVSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340230579 388488385 /nfs/dbraw/zinc/48/83/85/388488385.db2.gz HHSOKJSRIQWOMZ-ZETOZRRWSA-N 1 0 215.340 3.623 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340230580 388488746 /nfs/dbraw/zinc/48/87/46/388488746.db2.gz HHSOKJSRIQWOMZ-ZIBATOQPSA-N 1 0 215.340 3.623 10 0 BHAERO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000342227228 343726216 /nfs/dbraw/zinc/72/62/16/343726216.db2.gz XIHJGBDPHPQMMU-DHCBQETCSA-N 1 0 219.328 3.773 10 0 BHAERO CC/C=C\CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000342227230 346558823 /nfs/dbraw/zinc/55/88/23/346558823.db2.gz XIHJGBDPHPQMMU-SCOBNMCVSA-N 1 0 219.328 3.773 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC2CCCC2)o1 ZINC000344740047 136232220 /nfs/dbraw/zinc/23/22/20/136232220.db2.gz UVOAMISMZVRJAH-CMPLNLGQSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC2CCCC2)o1 ZINC000344740048 136232213 /nfs/dbraw/zinc/23/22/13/136232213.db2.gz UVOAMISMZVRJAH-JQWIXIFHSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CC2CCCC2)o1 ZINC000344740049 136232211 /nfs/dbraw/zinc/23/22/11/136232211.db2.gz UVOAMISMZVRJAH-PWSUYJOCSA-N 1 0 236.359 3.602 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC2CCCC2)o1 ZINC000344740050 136232178 /nfs/dbraw/zinc/23/21/78/136232178.db2.gz UVOAMISMZVRJAH-ZYHUDNBSSA-N 1 0 236.359 3.602 10 0 BHAERO CCc1ccc(C[NH2+][C@H](C)c2cccs2)nc1 ZINC000345090198 388509971 /nfs/dbraw/zinc/50/99/71/388509971.db2.gz GGEVUCKLIUFBRP-LLVKDONJSA-N 1 0 246.379 3.556 10 0 BHAERO CCc1ccc(C[NH2+][C@@H](C)c2cccs2)nc1 ZINC000345090200 388510247 /nfs/dbraw/zinc/51/02/47/388510247.db2.gz GGEVUCKLIUFBRP-NSHDSACASA-N 1 0 246.379 3.556 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]CCC2=CCCCC2)o1 ZINC000356260004 388548140 /nfs/dbraw/zinc/54/81/40/388548140.db2.gz AZFHDUBHGWJOBB-GFCCVEGCSA-N 1 0 234.343 3.524 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]CCC2=CCCCC2)o1 ZINC000356260006 388548111 /nfs/dbraw/zinc/54/81/11/388548111.db2.gz AZFHDUBHGWJOBB-LBPRGKRZSA-N 1 0 234.343 3.524 10 0 BHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC=C(C)C)c1C ZINC000358908685 172248549 /nfs/dbraw/zinc/24/85/49/172248549.db2.gz TUKXZWPSIOADLP-GFCCVEGCSA-N 1 0 249.402 3.527 10 0 BHAERO CCn1nc(C)c([C@H](C)[NH2+]CCC=C(C)C)c1C ZINC000358908687 172249008 /nfs/dbraw/zinc/24/90/08/172249008.db2.gz TUKXZWPSIOADLP-LBPRGKRZSA-N 1 0 249.402 3.527 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C2CC2)o1 ZINC000360984058 387382835 /nfs/dbraw/zinc/38/28/35/387382835.db2.gz QDBRILXSQKBAGE-FPMFFAJLSA-N 1 0 248.370 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C2CC2)o1 ZINC000360984071 387383462 /nfs/dbraw/zinc/38/34/62/387383462.db2.gz QDBRILXSQKBAGE-IACUBPJLSA-N 1 0 248.370 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C2CC2)o1 ZINC000360984072 387383103 /nfs/dbraw/zinc/38/31/03/387383103.db2.gz QDBRILXSQKBAGE-UBHSHLNASA-N 1 0 248.370 3.602 10 0 BHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C2CC2)o1 ZINC000360984073 387383596 /nfs/dbraw/zinc/38/35/96/387383596.db2.gz QDBRILXSQKBAGE-YUTCNCBUSA-N 1 0 248.370 3.602 10 0 BHAERO CC(C)(C)N[N+](=O)c1c(Cl)cccc1Cl ZINC000363445076 346453351 /nfs/dbraw/zinc/45/33/51/346453351.db2.gz VJCCAUCFFUSXOB-UHFFFAOYSA-N 1 0 248.133 3.707 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(SC)s1 ZINC000378671964 397826171 /nfs/dbraw/zinc/82/61/71/397826171.db2.gz KWANBDKRKAJGHM-MWLCHTKSSA-N 1 0 241.425 3.748 10 0 BHAERO CC1(C[NH2+]C[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000378702466 346811762 /nfs/dbraw/zinc/81/17/62/346811762.db2.gz OCGPPRJRICSXIB-KBPBESRZSA-N 1 0 221.388 3.593 10 0 BHAERO CC(C)[C@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378715263 346814576 /nfs/dbraw/zinc/81/45/76/346814576.db2.gz YGPGAWZVCYMUKM-AEGPPILISA-N 1 0 217.356 3.567 10 0 BHAERO CC(C)[C@@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378715264 346814189 /nfs/dbraw/zinc/81/41/89/346814189.db2.gz YGPGAWZVCYMUKM-VHDGCEQUSA-N 1 0 217.356 3.567 10 0 BHAERO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000378748487 371018990 /nfs/dbraw/zinc/01/89/90/371018990.db2.gz NCUPNYIJVCHCNE-GRYCIOLGSA-N 1 0 215.356 3.539 10 0 BHAERO C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000378748488 371019335 /nfs/dbraw/zinc/01/93/35/371019335.db2.gz NCUPNYIJVCHCNE-SDDRHHMPSA-N 1 0 215.356 3.539 10 0 BHAERO C[C@H](F)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000378748625 371018895 /nfs/dbraw/zinc/01/88/95/371018895.db2.gz NCUPNYIJVCHCNE-SRVKXCTJSA-N 1 0 215.356 3.539 10 0 BHAERO C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000378748626 371019659 /nfs/dbraw/zinc/01/96/59/371019659.db2.gz NCUPNYIJVCHCNE-WOPDTQHZSA-N 1 0 215.356 3.539 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000378749928 346823983 /nfs/dbraw/zinc/82/39/83/346823983.db2.gz UDRNNROYOCGDLH-FDYHWXHSSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000378749929 346824069 /nfs/dbraw/zinc/82/40/69/346824069.db2.gz UDRNNROYOCGDLH-FVCCEPFGSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000378749930 346824296 /nfs/dbraw/zinc/82/42/96/346824296.db2.gz UDRNNROYOCGDLH-MROQNXINSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000378749931 346824128 /nfs/dbraw/zinc/82/41/28/346824128.db2.gz UDRNNROYOCGDLH-YVECIDJPSA-N 1 0 209.377 3.589 10 0 BHAERO Clc1ccsc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378757744 487665484 /nfs/dbraw/zinc/66/54/84/487665484.db2.gz YZVMUXZMAIQUNE-IQJOONFLSA-N 1 0 241.787 3.680 10 0 BHAERO Clc1csc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000378793759 712361951 /nfs/dbraw/zinc/36/19/51/712361951.db2.gz PDIYFAGMQNDUJG-XXILOJSOSA-N 1 0 241.787 3.680 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccsc1 ZINC000378798998 346836136 /nfs/dbraw/zinc/83/61/36/346836136.db2.gz SFZIRUWZWLQTLM-IACUBPJLSA-N 1 0 237.412 3.847 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccsc1 ZINC000378798999 346836020 /nfs/dbraw/zinc/83/60/20/346836020.db2.gz SFZIRUWZWLQTLM-MRVWCRGKSA-N 1 0 237.412 3.847 10 0 BHAERO CC(C)C1([NH2+]CCSc2ccccc2)CC1 ZINC000378849957 345669072 /nfs/dbraw/zinc/66/90/72/345669072.db2.gz DKIIUFUNDGTMCO-UHFFFAOYSA-N 1 0 235.396 3.557 10 0 BHAERO CC(C)C1([NH2+]CCc2ccccc2Cl)CC1 ZINC000378853194 346844838 /nfs/dbraw/zinc/84/48/38/346844838.db2.gz HRAYLMOXMBCZGL-UHFFFAOYSA-N 1 0 237.774 3.661 10 0 BHAERO CC(C)C1([NH2+]CCSC2CCCCC2)CC1 ZINC000378854625 345669738 /nfs/dbraw/zinc/66/97/38/345669738.db2.gz JBWAALMYMVHZQF-UHFFFAOYSA-N 1 0 241.444 3.831 10 0 BHAERO CC(F)(F)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000378859972 346847215 /nfs/dbraw/zinc/84/72/15/346847215.db2.gz NZECOOYQNUEBBA-GHMZBOCLSA-N 1 0 233.346 3.836 10 0 BHAERO CC(F)(F)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000378859973 346847184 /nfs/dbraw/zinc/84/71/84/346847184.db2.gz NZECOOYQNUEBBA-MNOVXSKESA-N 1 0 233.346 3.836 10 0 BHAERO CC(F)(F)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000378859974 346847467 /nfs/dbraw/zinc/84/74/67/346847467.db2.gz NZECOOYQNUEBBA-QWRGUYRKSA-N 1 0 233.346 3.836 10 0 BHAERO CC(F)(F)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000378859975 346847996 /nfs/dbraw/zinc/84/79/96/346847996.db2.gz NZECOOYQNUEBBA-WDEREUQCSA-N 1 0 233.346 3.836 10 0 BHAERO Cc1cccc(C)c1C[NH2+]C1(C(C)C)CC1 ZINC000378865427 346849607 /nfs/dbraw/zinc/84/96/07/346849607.db2.gz ZIKNKICGYGHWKW-UHFFFAOYSA-N 1 0 217.356 3.582 10 0 BHAERO CC(C)C1([NH2+]CCCC2CCCC2)CC1 ZINC000378865547 346849639 /nfs/dbraw/zinc/84/96/39/346849639.db2.gz ZPIPEVBBRHJJLO-UHFFFAOYSA-N 1 0 209.377 3.735 10 0 BHAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000378866902 712365663 /nfs/dbraw/zinc/36/56/63/712365663.db2.gz CVXSGLMKTHPEIS-NEPJUHHUSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000378866903 712365358 /nfs/dbraw/zinc/36/53/58/712365358.db2.gz CVXSGLMKTHPEIS-NWDGAFQWSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000378866904 712365368 /nfs/dbraw/zinc/36/53/68/712365368.db2.gz CVXSGLMKTHPEIS-RYUDHWBXSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000378866905 712365712 /nfs/dbraw/zinc/36/57/12/712365712.db2.gz CVXSGLMKTHPEIS-VXGBXAGGSA-N 1 0 223.335 3.829 10 0 BHAERO CC(C)C1([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000378940094 346863975 /nfs/dbraw/zinc/86/39/75/346863975.db2.gz HWCDGHWUILJNOI-UHFFFAOYSA-N 1 0 241.737 3.757 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC(C)(C)C1 ZINC000379256567 356437749 /nfs/dbraw/zinc/43/77/49/356437749.db2.gz JTWCQPLRXAUNRL-GHMZBOCLSA-N 1 0 233.346 3.836 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)CC(C)(C)C1 ZINC000379256568 356437854 /nfs/dbraw/zinc/43/78/54/356437854.db2.gz JTWCQPLRXAUNRL-MNOVXSKESA-N 1 0 233.346 3.836 10 0 BHAERO C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)CC(C)(C)C1 ZINC000379256569 356437858 /nfs/dbraw/zinc/43/78/58/356437858.db2.gz JTWCQPLRXAUNRL-QWRGUYRKSA-N 1 0 233.346 3.836 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC(C)(C)C1 ZINC000379256570 356438287 /nfs/dbraw/zinc/43/82/87/356438287.db2.gz JTWCQPLRXAUNRL-WDEREUQCSA-N 1 0 233.346 3.836 10 0 BHAERO CCC1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000379263087 538976647 /nfs/dbraw/zinc/97/66/47/538976647.db2.gz ONGJFMQOXYQZHN-PPWQZUPISA-N 1 0 239.403 3.502 10 0 BHAERO CCC1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000379263088 538976624 /nfs/dbraw/zinc/97/66/24/538976624.db2.gz ONGJFMQOXYQZHN-URGYJCLVSA-N 1 0 239.403 3.502 10 0 BHAERO CCC1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000379263089 538976673 /nfs/dbraw/zinc/97/66/73/538976673.db2.gz ONGJFMQOXYQZHN-VXGQWTEUSA-N 1 0 239.403 3.502 10 0 BHAERO CCC1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000379263090 538976763 /nfs/dbraw/zinc/97/67/63/538976763.db2.gz ONGJFMQOXYQZHN-XSCHDIRWSA-N 1 0 239.403 3.502 10 0 BHAERO CC(C)C1([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000379442813 358492844 /nfs/dbraw/zinc/49/28/44/358492844.db2.gz AJWGLCWEXXYVPW-LLVKDONJSA-N 1 0 231.330 3.590 10 0 BHAERO CC(C)C1([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000379442816 358492917 /nfs/dbraw/zinc/49/29/17/358492917.db2.gz AJWGLCWEXXYVPW-NSHDSACASA-N 1 0 231.330 3.590 10 0 BHAERO CC(C)C1([NH2+]CCC2=CCCCC2)CC1 ZINC000379464225 358500034 /nfs/dbraw/zinc/50/00/34/358500034.db2.gz KAHDABXJISUMNR-UHFFFAOYSA-N 1 0 207.361 3.655 10 0 BHAERO CC(C)C1([NH2+]CC/C=C\c2ccccc2)CC1 ZINC000379464911 358499985 /nfs/dbraw/zinc/49/99/85/358499985.db2.gz LNNHYTNCWVOUCR-POHAHGRESA-N 1 0 229.367 3.868 10 0 BHAERO CC(C)C1([NH2+]CC/C=C/c2ccccc2)CC1 ZINC000379464915 358500296 /nfs/dbraw/zinc/50/02/96/358500296.db2.gz LNNHYTNCWVOUCR-UXBLZVDNSA-N 1 0 229.367 3.868 10 0 BHAERO CC(C)C1([NH2+]CCCCc2ccccc2)CC1 ZINC000379469262 358501155 /nfs/dbraw/zinc/50/11/55/358501155.db2.gz UKYCRKCLSBQYHU-UHFFFAOYSA-N 1 0 231.383 3.788 10 0 BHAERO CC[C@H]([NH2+]CC(C)(C)SC)C(C)(C)C ZINC000379582290 712388717 /nfs/dbraw/zinc/38/87/17/712388717.db2.gz LSFLCZBAIHUDIA-JTQLQIEISA-N 1 0 217.422 3.542 10 0 BHAERO CC[C@@H]([NH2+]CC(C)(C)SC)C(C)(C)C ZINC000379582291 712388670 /nfs/dbraw/zinc/38/86/70/712388670.db2.gz LSFLCZBAIHUDIA-SNVBAGLBSA-N 1 0 217.422 3.542 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cscc1Cl ZINC000379618095 538108086 /nfs/dbraw/zinc/10/80/86/538108086.db2.gz AWVANLGVDQNUSK-LDYMZIIASA-N 1 0 229.776 3.680 10 0 BHAERO CC(C)Oc1ccccc1C[NH2+]C1(C(C)C)CC1 ZINC000379739433 361386875 /nfs/dbraw/zinc/38/68/75/361386875.db2.gz YYLJQJLZLUXJGL-UHFFFAOYSA-N 1 0 247.382 3.752 10 0 BHAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000379877852 712620112 /nfs/dbraw/zinc/62/01/12/712620112.db2.gz BAJWSEXHAOVHLB-FPMFFAJLSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)C1CCCC1 ZINC000379877853 712619989 /nfs/dbraw/zinc/61/99/89/712619989.db2.gz BAJWSEXHAOVHLB-KWCYVHTRSA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000379877854 712620079 /nfs/dbraw/zinc/62/00/79/712620079.db2.gz BAJWSEXHAOVHLB-UBHSHLNASA-N 1 0 209.377 3.589 10 0 BHAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1CCCC1 ZINC000379877856 712620127 /nfs/dbraw/zinc/62/01/27/712620127.db2.gz BAJWSEXHAOVHLB-XBFCOCLRSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(C)C ZINC000379916021 712626517 /nfs/dbraw/zinc/62/65/17/712626517.db2.gz CFEKCORHCCGFJU-CLRIEMFWSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC2CCC1CC2)C(C)C ZINC000379916022 712626494 /nfs/dbraw/zinc/62/64/94/712626494.db2.gz CFEKCORHCCGFJU-HOAMVYINSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(C)C ZINC000379916023 712626459 /nfs/dbraw/zinc/62/64/59/712626459.db2.gz CFEKCORHCCGFJU-NWINJMCUSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCSCC ZINC000379922412 365737160 /nfs/dbraw/zinc/73/71/60/365737160.db2.gz IQFHWZJWMIKZGL-CHWSQXEVSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCSCC ZINC000379922416 365736979 /nfs/dbraw/zinc/73/69/79/365736979.db2.gz IQFHWZJWMIKZGL-OLZOCXBDSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCSCC ZINC000379922419 365736882 /nfs/dbraw/zinc/73/68/82/365736882.db2.gz IQFHWZJWMIKZGL-QWHCGFSZSA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCSCC ZINC000379922421 365737084 /nfs/dbraw/zinc/73/70/84/365737084.db2.gz IQFHWZJWMIKZGL-STQMWFEESA-N 1 0 229.433 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCSC(C)C ZINC000379923198 365750600 /nfs/dbraw/zinc/75/06/00/365750600.db2.gz JHJYEPSNZDDLRV-CHWSQXEVSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCSC(C)C ZINC000379923199 365750843 /nfs/dbraw/zinc/75/08/43/365750843.db2.gz JHJYEPSNZDDLRV-OLZOCXBDSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCSC(C)C ZINC000379923201 365749869 /nfs/dbraw/zinc/74/98/69/365749869.db2.gz JHJYEPSNZDDLRV-QWHCGFSZSA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCSC(C)C ZINC000379923202 365750218 /nfs/dbraw/zinc/75/02/18/365750218.db2.gz JHJYEPSNZDDLRV-STQMWFEESA-N 1 0 229.433 3.686 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000379923751 365751329 /nfs/dbraw/zinc/75/13/29/365751329.db2.gz JQHJGACCMIHGFC-HZSPNIEDSA-N 1 0 207.361 3.654 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000379923752 365751608 /nfs/dbraw/zinc/75/16/08/365751608.db2.gz JQHJGACCMIHGFC-MCIONIFRSA-N 1 0 207.361 3.654 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000379923755 365751434 /nfs/dbraw/zinc/75/14/34/365751434.db2.gz JQHJGACCMIHGFC-MGPQQGTHSA-N 1 0 207.361 3.654 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000379923757 365751483 /nfs/dbraw/zinc/75/14/83/365751483.db2.gz JQHJGACCMIHGFC-RDBSUJKOSA-N 1 0 207.361 3.654 10 0 BHAERO CC[C@@H]([NH2+]CCCC(F)(F)F)C(C)(C)C ZINC000379965503 365767213 /nfs/dbraw/zinc/76/72/13/365767213.db2.gz YRAIDGKAFDBURX-SECBINFHSA-N 1 0 225.298 3.743 10 0 BHAERO CC[C@H]([NH2+]CCCC(F)(F)F)C(C)(C)C ZINC000379965504 365767687 /nfs/dbraw/zinc/76/76/87/365767687.db2.gz YRAIDGKAFDBURX-VIFPVBQESA-N 1 0 225.298 3.743 10 0 BHAERO CC[C@@H]([NH2+]Cc1ccc(SC)s1)C(C)C ZINC000379975182 365772736 /nfs/dbraw/zinc/77/27/36/365772736.db2.gz CYULTZVDLSHYKU-LLVKDONJSA-N 1 0 243.441 3.994 10 0 BHAERO CC[C@H]([NH2+]Cc1ccc(SC)s1)C(C)C ZINC000379975183 365771655 /nfs/dbraw/zinc/77/16/55/365771655.db2.gz CYULTZVDLSHYKU-NSHDSACASA-N 1 0 243.441 3.994 10 0 BHAERO CCCCC[C@@H](C)[NH2+]CC1(F)CCCC1 ZINC000379980778 373099460 /nfs/dbraw/zinc/09/94/60/373099460.db2.gz HHDKTHXWKQBXFT-GFCCVEGCSA-N 1 0 215.356 3.827 10 0 BHAERO CCCCC[C@H](C)[NH2+]CC1(F)CCCC1 ZINC000379980779 373092399 /nfs/dbraw/zinc/09/23/99/373092399.db2.gz HHDKTHXWKQBXFT-LBPRGKRZSA-N 1 0 215.356 3.827 10 0 BHAERO CC1=CC[C@H]([NH2+][C@H](C)c2cccs2)CC1 ZINC000380082913 538984975 /nfs/dbraw/zinc/98/49/75/538984975.db2.gz GTYAOCDJSGYZKJ-NEPJUHHUSA-N 1 0 221.369 3.898 10 0 BHAERO CC1=CC[C@@H]([NH2+][C@@H](C)c2cccs2)CC1 ZINC000380082915 538984506 /nfs/dbraw/zinc/98/45/06/538984506.db2.gz GTYAOCDJSGYZKJ-NWDGAFQWSA-N 1 0 221.369 3.898 10 0 BHAERO CC1=CC[C@H]([NH2+][C@@H](C)c2cccs2)CC1 ZINC000380082918 538984562 /nfs/dbraw/zinc/98/45/62/538984562.db2.gz GTYAOCDJSGYZKJ-RYUDHWBXSA-N 1 0 221.369 3.898 10 0 BHAERO CC1=CC[C@@H]([NH2+][C@H](C)c2cccs2)CC1 ZINC000380082920 538985044 /nfs/dbraw/zinc/98/50/44/538985044.db2.gz GTYAOCDJSGYZKJ-VXGBXAGGSA-N 1 0 221.369 3.898 10 0 BHAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000380090207 365870790 /nfs/dbraw/zinc/87/07/90/365870790.db2.gz IOWOQQRBWQDGSO-MRVPVSSYSA-N 1 0 225.298 3.599 10 0 BHAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000380090215 365872411 /nfs/dbraw/zinc/87/24/11/365872411.db2.gz IOWOQQRBWQDGSO-QMMMGPOBSA-N 1 0 225.298 3.599 10 0 BHAERO CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380090475 365875833 /nfs/dbraw/zinc/87/58/33/365875833.db2.gz ITPOMMADPXKXGO-NEPJUHHUSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380090476 365875201 /nfs/dbraw/zinc/87/52/01/365875201.db2.gz ITPOMMADPXKXGO-NWDGAFQWSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000380090477 365875496 /nfs/dbraw/zinc/87/54/96/365875496.db2.gz ITPOMMADPXKXGO-RYUDHWBXSA-N 1 0 215.356 3.541 10 0 BHAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380090480 343089120 /nfs/dbraw/zinc/08/91/20/343089120.db2.gz ITPOMMADPXKXGO-VXGBXAGGSA-N 1 0 215.356 3.541 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000380201562 346679133 /nfs/dbraw/zinc/67/91/33/346679133.db2.gz UDRNNROYOCGDLH-LPWJVIDDSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000380201565 346679654 /nfs/dbraw/zinc/67/96/54/346679654.db2.gz UDRNNROYOCGDLH-NDBYEHHHSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000380201575 346678008 /nfs/dbraw/zinc/67/80/08/346678008.db2.gz UDRNNROYOCGDLH-VOAKCMCISA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000380201585 346682108 /nfs/dbraw/zinc/68/21/08/346682108.db2.gz UDRNNROYOCGDLH-XQHKEYJVSA-N 1 0 209.377 3.589 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C1CC1 ZINC000380201603 538987427 /nfs/dbraw/zinc/98/74/27/538987427.db2.gz UECVZNZOXJACQW-BNOWGMLFSA-N 1 0 209.377 3.591 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C1CC1 ZINC000380201606 538987579 /nfs/dbraw/zinc/98/75/79/538987579.db2.gz UECVZNZOXJACQW-IACUBPJLSA-N 1 0 209.377 3.591 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C1CC1 ZINC000380201607 538987661 /nfs/dbraw/zinc/98/76/61/538987661.db2.gz UECVZNZOXJACQW-MRVWCRGKSA-N 1 0 209.377 3.591 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C1CC1 ZINC000380201613 538987620 /nfs/dbraw/zinc/98/76/20/538987620.db2.gz UECVZNZOXJACQW-YUTCNCBUSA-N 1 0 209.377 3.591 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cc(F)ccc1F ZINC000380232723 398192519 /nfs/dbraw/zinc/19/25/19/398192519.db2.gz YNFGPJNOUVKCKW-AEISUSGSSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cc(F)ccc1F ZINC000380232730 398192434 /nfs/dbraw/zinc/19/24/34/398192434.db2.gz YNFGPJNOUVKCKW-DLVJRCHESA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cc(F)ccc1F ZINC000380232733 398192424 /nfs/dbraw/zinc/19/24/24/398192424.db2.gz YNFGPJNOUVKCKW-MAGOMRGPSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cc(F)ccc1F ZINC000380232734 398192503 /nfs/dbraw/zinc/19/25/03/398192503.db2.gz YNFGPJNOUVKCKW-RUMNANIHSA-N 1 0 239.309 3.660 10 0 BHAERO CC[C@@H]([NH2+]Cc1cscc1C)C(C)(C)C ZINC000380298432 345573631 /nfs/dbraw/zinc/57/36/31/345573631.db2.gz DAYHOOPZHYEDRS-GFCCVEGCSA-N 1 0 225.401 3.971 10 0 BHAERO CC[C@H]([NH2+]Cc1cscc1C)C(C)(C)C ZINC000380298440 345573787 /nfs/dbraw/zinc/57/37/87/345573787.db2.gz DAYHOOPZHYEDRS-LBPRGKRZSA-N 1 0 225.401 3.971 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(SC)s1 ZINC000380322252 346408305 /nfs/dbraw/zinc/40/83/05/346408305.db2.gz KWANBDKRKAJGHM-GXSJLCMTSA-N 1 0 241.425 3.748 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(SC)s1 ZINC000380322254 346408129 /nfs/dbraw/zinc/40/81/29/346408129.db2.gz KWANBDKRKAJGHM-KOLCDFICSA-N 1 0 241.425 3.748 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(SC)s1 ZINC000380322257 367178468 /nfs/dbraw/zinc/17/84/68/367178468.db2.gz KWANBDKRKAJGHM-ONGXEEELSA-N 1 0 241.425 3.748 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)C(C)(C)C ZINC000380329353 712886661 /nfs/dbraw/zinc/88/66/61/712886661.db2.gz NOIPMNRHDPFMEN-SRVKXCTJSA-N 1 0 229.433 3.685 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)C(C)(C)C ZINC000380329354 711818051 /nfs/dbraw/zinc/81/80/51/711818051.db2.gz NOIPMNRHDPFMEN-TUAOUCFPSA-N 1 0 229.433 3.685 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)C(C)(C)C ZINC000380329355 712886650 /nfs/dbraw/zinc/88/66/50/712886650.db2.gz NOIPMNRHDPFMEN-UTUOFQBUSA-N 1 0 229.433 3.685 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)C(C)(C)C ZINC000380329356 712886569 /nfs/dbraw/zinc/88/65/69/712886569.db2.gz NOIPMNRHDPFMEN-WOPDTQHZSA-N 1 0 229.433 3.685 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C(F)F)c(F)c1 ZINC000380500986 344411905 /nfs/dbraw/zinc/41/19/05/344411905.db2.gz DWPZBWKWYUZAAG-JTQLQIEISA-N 1 0 231.261 3.809 10 0 BHAERO CCSCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000380808917 367306444 /nfs/dbraw/zinc/30/64/44/367306444.db2.gz JELNUFNGHCIZDZ-CYBMUJFWSA-N 1 0 237.412 3.707 10 0 BHAERO CC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCCC1 ZINC000381034373 367337969 /nfs/dbraw/zinc/33/79/69/367337969.db2.gz BANAWEOWEIELPT-CHWSQXEVSA-N 1 0 227.367 3.685 10 0 BHAERO CC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCCC1 ZINC000381034383 367337629 /nfs/dbraw/zinc/33/76/29/367337629.db2.gz BANAWEOWEIELPT-OLZOCXBDSA-N 1 0 227.367 3.685 10 0 BHAERO CC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCCC1 ZINC000381034388 367338395 /nfs/dbraw/zinc/33/83/95/367338395.db2.gz BANAWEOWEIELPT-QWHCGFSZSA-N 1 0 227.367 3.685 10 0 BHAERO CC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCCC1 ZINC000381034391 367337881 /nfs/dbraw/zinc/33/78/81/367337881.db2.gz BANAWEOWEIELPT-STQMWFEESA-N 1 0 227.367 3.685 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)ccc1F ZINC000381120911 367353733 /nfs/dbraw/zinc/35/37/33/367353733.db2.gz INIFXEHFQCGFSH-NEPJUHHUSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)ccc1F ZINC000381120913 367353205 /nfs/dbraw/zinc/35/32/05/367353205.db2.gz INIFXEHFQCGFSH-NWDGAFQWSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)ccc1F ZINC000381120916 367353184 /nfs/dbraw/zinc/35/31/84/367353184.db2.gz INIFXEHFQCGFSH-RYUDHWBXSA-N 1 0 223.335 3.829 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)ccc1F ZINC000381120917 367353270 /nfs/dbraw/zinc/35/32/70/367353270.db2.gz INIFXEHFQCGFSH-VXGBXAGGSA-N 1 0 223.335 3.829 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCF ZINC000381172930 367358927 /nfs/dbraw/zinc/35/89/27/367358927.db2.gz UMYKPURTRKQIKB-HZSPNIEDSA-N 1 0 229.383 3.787 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCF ZINC000381172931 367359310 /nfs/dbraw/zinc/35/93/10/367359310.db2.gz UMYKPURTRKQIKB-RDBSUJKOSA-N 1 0 229.383 3.787 10 0 BHAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCCC2)CS1 ZINC000381208228 367365065 /nfs/dbraw/zinc/36/50/65/367365065.db2.gz GRHQDHQNAZVNIM-BNOWGMLFSA-N 1 0 241.444 3.685 10 0 BHAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCCC2)CS1 ZINC000381208229 367364648 /nfs/dbraw/zinc/36/46/48/367364648.db2.gz GRHQDHQNAZVNIM-UBHSHLNASA-N 1 0 241.444 3.685 10 0 BHAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C2CCCC2)CS1 ZINC000381208231 367364567 /nfs/dbraw/zinc/36/45/67/367364567.db2.gz GRHQDHQNAZVNIM-XBFCOCLRSA-N 1 0 241.444 3.685 10 0 BHAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCCC2)CS1 ZINC000381208233 367365287 /nfs/dbraw/zinc/36/52/87/367365287.db2.gz GRHQDHQNAZVNIM-YUTCNCBUSA-N 1 0 241.444 3.685 10 0 BHAERO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000381227607 367368194 /nfs/dbraw/zinc/36/81/94/367368194.db2.gz KEXAHULUCLMDKH-CHWSQXEVSA-N 1 0 229.383 3.787 10 0 BHAERO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000381227609 367367897 /nfs/dbraw/zinc/36/78/97/367367897.db2.gz KEXAHULUCLMDKH-OLZOCXBDSA-N 1 0 229.383 3.787 10 0 BHAERO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000381227611 367367622 /nfs/dbraw/zinc/36/76/22/367367622.db2.gz KEXAHULUCLMDKH-QWHCGFSZSA-N 1 0 229.383 3.787 10 0 BHAERO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000381227613 367368242 /nfs/dbraw/zinc/36/82/42/367368242.db2.gz KEXAHULUCLMDKH-STQMWFEESA-N 1 0 229.383 3.787 10 0 BHAERO CC1CCC(C[NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000381273967 538997112 /nfs/dbraw/zinc/99/71/12/538997112.db2.gz WJRUCQOIYLXZNL-HTAVTVPLSA-N 1 0 231.330 3.590 10 0 BHAERO CC1CCC(C[NH2+][C@H]2CCCC2(F)F)CC1 ZINC000381273968 538997357 /nfs/dbraw/zinc/99/73/57/538997357.db2.gz WJRUCQOIYLXZNL-MCIGGMRASA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000381295513 345259484 /nfs/dbraw/zinc/25/94/84/345259484.db2.gz GDZSFRMLYILKSC-GXTWGEPZSA-N 1 0 221.388 3.735 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000381295520 345260616 /nfs/dbraw/zinc/26/06/16/345260616.db2.gz GDZSFRMLYILKSC-JSGCOSHPSA-N 1 0 221.388 3.735 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000381295524 345260518 /nfs/dbraw/zinc/26/05/18/345260518.db2.gz GDZSFRMLYILKSC-OCCSQVGLSA-N 1 0 221.388 3.735 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000381295530 345259771 /nfs/dbraw/zinc/25/97/71/345259771.db2.gz GDZSFRMLYILKSC-TZMCWYRMSA-N 1 0 221.388 3.735 10 0 BHAERO C[C@@H]([NH2+]CCCc1ccsc1)C1CCCC1 ZINC000381298011 345263530 /nfs/dbraw/zinc/26/35/30/345263530.db2.gz HFWLVHFSHUPENA-GFCCVEGCSA-N 1 0 237.412 3.849 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)o1 ZINC000381306951 538997649 /nfs/dbraw/zinc/99/76/49/538997649.db2.gz KBWUUMQDSABKCR-CHWSQXEVSA-N 1 0 219.328 3.737 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)o1 ZINC000381306953 538997593 /nfs/dbraw/zinc/99/75/93/538997593.db2.gz KBWUUMQDSABKCR-OLZOCXBDSA-N 1 0 219.328 3.737 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)o1 ZINC000381306956 538997623 /nfs/dbraw/zinc/99/76/23/538997623.db2.gz KBWUUMQDSABKCR-QWHCGFSZSA-N 1 0 219.328 3.737 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)o1 ZINC000381306958 538997838 /nfs/dbraw/zinc/99/78/38/538997838.db2.gz KBWUUMQDSABKCR-STQMWFEESA-N 1 0 219.328 3.737 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000381344093 345416481 /nfs/dbraw/zinc/41/64/81/345416481.db2.gz YKEABBXCCJQYMU-HZSPNIEDSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000381344094 345416971 /nfs/dbraw/zinc/41/69/71/345416971.db2.gz YKEABBXCCJQYMU-MCIONIFRSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000381344095 345416770 /nfs/dbraw/zinc/41/67/70/345416770.db2.gz YKEABBXCCJQYMU-MGPQQGTHSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000381344096 345416615 /nfs/dbraw/zinc/41/66/15/345416615.db2.gz YKEABBXCCJQYMU-RDBSUJKOSA-N 1 0 241.444 3.831 10 0 BHAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000381361122 490563002 /nfs/dbraw/zinc/56/30/02/490563002.db2.gz DCVDHSOUXRIVHP-CHWSQXEVSA-N 1 0 227.367 3.541 10 0 BHAERO CC(C)C1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000381361125 398342233 /nfs/dbraw/zinc/34/22/33/398342233.db2.gz DCVDHSOUXRIVHP-OLZOCXBDSA-N 1 0 227.367 3.541 10 0 BHAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000381361126 398342267 /nfs/dbraw/zinc/34/22/67/398342267.db2.gz DCVDHSOUXRIVHP-QWHCGFSZSA-N 1 0 227.367 3.541 10 0 BHAERO CC(C)C1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000381361127 398342265 /nfs/dbraw/zinc/34/22/65/398342265.db2.gz DCVDHSOUXRIVHP-STQMWFEESA-N 1 0 227.367 3.541 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000381370831 367389205 /nfs/dbraw/zinc/38/92/05/367389205.db2.gz IFAHSNRYEYTJPC-BFHYXJOUSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000381370834 367389425 /nfs/dbraw/zinc/38/94/25/367389425.db2.gz IFAHSNRYEYTJPC-MCIONIFRSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000381370845 367388538 /nfs/dbraw/zinc/38/85/38/367388538.db2.gz IFAHSNRYEYTJPC-MGPQQGTHSA-N 1 0 241.444 3.688 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000381370847 345591551 /nfs/dbraw/zinc/59/15/51/345591551.db2.gz IFAHSNRYEYTJPC-MJBXVCDLSA-N 1 0 241.444 3.688 10 0 BHAERO CC1CCC(C[NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000381373853 538999270 /nfs/dbraw/zinc/99/92/70/538999270.db2.gz IIOSPZKJGMYRDY-HTAVTVPLSA-N 1 0 231.330 3.590 10 0 BHAERO CC1CCC(C[NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000381373859 538999210 /nfs/dbraw/zinc/99/92/10/538999210.db2.gz IIOSPZKJGMYRDY-MCIGGMRASA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381390154 345791571 /nfs/dbraw/zinc/79/15/71/345791571.db2.gz NUYFQDOHQTWYMO-NEPJUHHUSA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381390157 367392834 /nfs/dbraw/zinc/39/28/34/367392834.db2.gz NUYFQDOHQTWYMO-NWDGAFQWSA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381390160 367392761 /nfs/dbraw/zinc/39/27/61/367392761.db2.gz NUYFQDOHQTWYMO-RYUDHWBXSA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381390161 367393077 /nfs/dbraw/zinc/39/30/77/367393077.db2.gz NUYFQDOHQTWYMO-VXGBXAGGSA-N 1 0 231.330 3.590 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000381399539 538999875 /nfs/dbraw/zinc/99/98/75/538999875.db2.gz QOTAIRIRZOBXDV-GRYCIOLGSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381399541 538999924 /nfs/dbraw/zinc/99/99/24/538999924.db2.gz QOTAIRIRZOBXDV-IJLUTSLNSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381399542 538999630 /nfs/dbraw/zinc/99/96/30/538999630.db2.gz QOTAIRIRZOBXDV-UTUOFQBUSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000381399544 538999796 /nfs/dbraw/zinc/99/97/96/538999796.db2.gz QOTAIRIRZOBXDV-WOPDTQHZSA-N 1 0 231.330 3.733 10 0 BHAERO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000381427847 345856721 /nfs/dbraw/zinc/85/67/21/345856721.db2.gz ZMFQXKCTIZDRBR-NXEZZACHSA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000381427848 345856596 /nfs/dbraw/zinc/85/65/96/345856596.db2.gz ZMFQXKCTIZDRBR-UWVGGRQHSA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000381427849 345856705 /nfs/dbraw/zinc/85/67/05/345856705.db2.gz ZMFQXKCTIZDRBR-VHSXEESVSA-N 1 0 237.309 3.743 10 0 BHAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000381427850 345856701 /nfs/dbraw/zinc/85/67/01/345856701.db2.gz ZMFQXKCTIZDRBR-ZJUUUORDSA-N 1 0 237.309 3.743 10 0 BHAERO CCCc1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000381444177 345915066 /nfs/dbraw/zinc/91/50/66/345915066.db2.gz FJLIPWCBNXIFBS-GFCCVEGCSA-N 1 0 217.356 3.527 10 0 BHAERO CCCc1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000381444178 344507437 /nfs/dbraw/zinc/50/74/37/344507437.db2.gz FJLIPWCBNXIFBS-LBPRGKRZSA-N 1 0 217.356 3.527 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000381447529 367406114 /nfs/dbraw/zinc/40/61/14/367406114.db2.gz OUUKGGQGJUHWON-GUIRCDHDSA-N 1 0 247.382 3.699 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000381447530 367405738 /nfs/dbraw/zinc/40/57/38/367405738.db2.gz OUUKGGQGJUHWON-PWNZVWSESA-N 1 0 247.382 3.699 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000381447531 367405809 /nfs/dbraw/zinc/40/58/09/367405809.db2.gz OUUKGGQGJUHWON-SFDCQRBFSA-N 1 0 247.382 3.699 10 0 BHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000381447533 367406155 /nfs/dbraw/zinc/40/61/55/367406155.db2.gz OUUKGGQGJUHWON-UKTARXLSSA-N 1 0 247.382 3.699 10 0 BHAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@H](C)F ZINC000381469633 345994084 /nfs/dbraw/zinc/99/40/84/345994084.db2.gz MECARDJJHVGCMB-IGQOVBAYSA-N 1 0 229.383 3.785 10 0 BHAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@H](C)F ZINC000381469634 345994258 /nfs/dbraw/zinc/99/42/58/345994258.db2.gz MECARDJJHVGCMB-XDQVBPFNSA-N 1 0 229.383 3.785 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@H](C)F ZINC000381469636 345994200 /nfs/dbraw/zinc/99/42/00/345994200.db2.gz MECARDJJHVGCMB-ZOBORPQBSA-N 1 0 229.383 3.785 10 0 BHAERO CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000381471632 367413503 /nfs/dbraw/zinc/41/35/03/367413503.db2.gz OUYMPORBCOMKSA-GHMZBOCLSA-N 1 0 233.346 3.836 10 0 BHAERO CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000381471633 367414069 /nfs/dbraw/zinc/41/40/69/367414069.db2.gz OUYMPORBCOMKSA-MNOVXSKESA-N 1 0 233.346 3.836 10 0 BHAERO CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000381471634 367413906 /nfs/dbraw/zinc/41/39/06/367413906.db2.gz OUYMPORBCOMKSA-QWRGUYRKSA-N 1 0 233.346 3.836 10 0 BHAERO CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000381471635 346003117 /nfs/dbraw/zinc/00/31/17/346003117.db2.gz OUYMPORBCOMKSA-WDEREUQCSA-N 1 0 233.346 3.836 10 0 BHAERO CCCc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000381487770 367418103 /nfs/dbraw/zinc/41/81/03/367418103.db2.gz WACVKRFXTHFPFA-GFCCVEGCSA-N 1 0 217.356 3.527 10 0 BHAERO CCCc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000381487774 367418361 /nfs/dbraw/zinc/41/83/61/367418361.db2.gz WACVKRFXTHFPFA-LBPRGKRZSA-N 1 0 217.356 3.527 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381495603 346114480 /nfs/dbraw/zinc/11/44/80/346114480.db2.gz BMZJJCULLUMNFZ-CHWSQXEVSA-N 1 0 227.367 3.827 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381495604 346114899 /nfs/dbraw/zinc/11/48/99/346114899.db2.gz BMZJJCULLUMNFZ-OLZOCXBDSA-N 1 0 227.367 3.827 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381495606 346114784 /nfs/dbraw/zinc/11/47/84/346114784.db2.gz BMZJJCULLUMNFZ-QWHCGFSZSA-N 1 0 227.367 3.827 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381495610 367419325 /nfs/dbraw/zinc/41/93/25/367419325.db2.gz BMZJJCULLUMNFZ-STQMWFEESA-N 1 0 227.367 3.827 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000381502685 539002016 /nfs/dbraw/zinc/00/20/16/539002016.db2.gz PICGCLAXBULXID-BYCMXARLSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000381502923 539002104 /nfs/dbraw/zinc/00/21/04/539002104.db2.gz PICGCLAXBULXID-DFBGVHRSSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]1C[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000381502925 539002721 /nfs/dbraw/zinc/00/27/21/539002721.db2.gz PICGCLAXBULXID-KCPJHIHWSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000381502927 539002808 /nfs/dbraw/zinc/00/28/08/539002808.db2.gz PICGCLAXBULXID-UGFHNGPFSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(F)F)CC(C)(C)C1 ZINC000381519151 539002836 /nfs/dbraw/zinc/00/28/36/539002836.db2.gz TYPVPQSUAWEYQG-NXEZZACHSA-N 1 0 233.346 3.835 10 0 BHAERO C[C@H]1C[C@H]([NH2+]C(C)(C)C(F)F)CC(C)(C)C1 ZINC000381519152 539002541 /nfs/dbraw/zinc/00/25/41/539002541.db2.gz TYPVPQSUAWEYQG-UWVGGRQHSA-N 1 0 233.346 3.835 10 0 BHAERO C[C@H]1C[C@@H]([NH2+]C(C)(C)C(F)F)CC(C)(C)C1 ZINC000381519153 539002863 /nfs/dbraw/zinc/00/28/63/539002863.db2.gz TYPVPQSUAWEYQG-VHSXEESVSA-N 1 0 233.346 3.835 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C(C)(C)C(F)F)CC(C)(C)C1 ZINC000381519154 539002591 /nfs/dbraw/zinc/00/25/91/539002591.db2.gz TYPVPQSUAWEYQG-ZJUUUORDSA-N 1 0 233.346 3.835 10 0 BHAERO C/C(=C\c1ccccc1)C[NH2+][C@H](C)C(C)C ZINC000381533072 367426374 /nfs/dbraw/zinc/42/63/74/367426374.db2.gz ZZRDLGQMPKCBDA-JWAFFJSPSA-N 1 0 217.356 3.724 10 0 BHAERO C/C(=C/c1ccccc1)C[NH2+][C@H](C)C(C)C ZINC000381533074 367425798 /nfs/dbraw/zinc/42/57/98/367425798.db2.gz ZZRDLGQMPKCBDA-QLKUMGTLSA-N 1 0 217.356 3.724 10 0 BHAERO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C(C)C ZINC000381533075 367425688 /nfs/dbraw/zinc/42/56/88/367425688.db2.gz ZZRDLGQMPKCBDA-UELRPHRMSA-N 1 0 217.356 3.724 10 0 BHAERO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C(C)C ZINC000381533076 367425929 /nfs/dbraw/zinc/42/59/29/367425929.db2.gz ZZRDLGQMPKCBDA-ZVHGMHCTSA-N 1 0 217.356 3.724 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1sccc1OC ZINC000381545989 346319643 /nfs/dbraw/zinc/31/96/43/346319643.db2.gz KJGZLCOMFHHZCU-AXFHLTTASA-N 1 0 239.384 3.596 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1sccc1OC ZINC000381545990 346319710 /nfs/dbraw/zinc/31/97/10/346319710.db2.gz KJGZLCOMFHHZCU-MXWKQRLJSA-N 1 0 239.384 3.596 10 0 BHAERO CCCCOCCC[NH2+][C@H](CC)C(C)(C)C ZINC000381550454 346331483 /nfs/dbraw/zinc/33/14/83/346331483.db2.gz MMIOIZAFVKSUSK-CYBMUJFWSA-N 1 0 229.408 3.608 10 0 BHAERO CCCCOCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000381550455 346331271 /nfs/dbraw/zinc/33/12/71/346331271.db2.gz MMIOIZAFVKSUSK-ZDUSSCGKSA-N 1 0 229.408 3.608 10 0 BHAERO CCC1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000381556168 346342798 /nfs/dbraw/zinc/34/27/98/346342798.db2.gz PADKOFJMJNTCNB-AXVKAWJUSA-N 1 0 221.388 3.733 10 0 BHAERO CCC1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000381556169 346342836 /nfs/dbraw/zinc/34/28/36/346342836.db2.gz PADKOFJMJNTCNB-MOQPVCNJSA-N 1 0 221.388 3.733 10 0 BHAERO CCC1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000381556170 346342427 /nfs/dbraw/zinc/34/24/27/346342427.db2.gz PADKOFJMJNTCNB-RIXNLZLZSA-N 1 0 221.388 3.733 10 0 BHAERO CCC1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000381556171 346342784 /nfs/dbraw/zinc/34/27/84/346342784.db2.gz PADKOFJMJNTCNB-UZVIJOLCSA-N 1 0 221.388 3.733 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000381558825 346348220 /nfs/dbraw/zinc/34/82/20/346348220.db2.gz QHPJHGTVOSWKSJ-AAVRWANBSA-N 1 0 227.367 3.683 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000381558826 346348212 /nfs/dbraw/zinc/34/82/12/346348212.db2.gz QHPJHGTVOSWKSJ-SYQHCUMBSA-N 1 0 227.367 3.683 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000381558828 346348119 /nfs/dbraw/zinc/34/81/19/346348119.db2.gz QHPJHGTVOSWKSJ-XDQVBPFNSA-N 1 0 227.367 3.683 10 0 BHAERO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000381558830 346347770 /nfs/dbraw/zinc/34/77/70/346347770.db2.gz QHPJHGTVOSWKSJ-XUXIUFHCSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000381569085 539004358 /nfs/dbraw/zinc/00/43/58/539004358.db2.gz WEHHLNONKLTLDT-CRWXNKLISA-N 1 0 241.444 3.829 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS[C@H]1C ZINC000381569091 539004387 /nfs/dbraw/zinc/00/43/87/539004387.db2.gz WEHHLNONKLTLDT-DGAVXFQQSA-N 1 0 241.444 3.829 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000381569092 539004115 /nfs/dbraw/zinc/00/41/15/539004115.db2.gz WEHHLNONKLTLDT-MQYQWHSLSA-N 1 0 241.444 3.829 10 0 BHAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000381569101 539004203 /nfs/dbraw/zinc/00/42/03/539004203.db2.gz WEHHLNONKLTLDT-SYQHCUMBSA-N 1 0 241.444 3.829 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000381570157 346371613 /nfs/dbraw/zinc/37/16/13/346371613.db2.gz WUKOIKFXBFNZNM-GXTWGEPZSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000381570158 346371481 /nfs/dbraw/zinc/37/14/81/346371481.db2.gz WUKOIKFXBFNZNM-JSGCOSHPSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000381570159 346371730 /nfs/dbraw/zinc/37/17/30/346371730.db2.gz WUKOIKFXBFNZNM-OCCSQVGLSA-N 1 0 237.412 3.849 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000381570160 346371679 /nfs/dbraw/zinc/37/16/79/346371679.db2.gz WUKOIKFXBFNZNM-TZMCWYRMSA-N 1 0 237.412 3.849 10 0 BHAERO CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000381584534 539004356 /nfs/dbraw/zinc/00/43/56/539004356.db2.gz GWNYBQXMRSUSDQ-SECBINFHSA-N 1 0 239.325 3.989 10 0 BHAERO CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000381584536 539004183 /nfs/dbraw/zinc/00/41/83/539004183.db2.gz GWNYBQXMRSUSDQ-VIFPVBQESA-N 1 0 239.325 3.989 10 0 BHAERO CC1CCC(C[NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000381590384 367433973 /nfs/dbraw/zinc/43/39/73/367433973.db2.gz DKLFPEKVBYRMOI-BPCQOVAHSA-N 1 0 245.357 3.838 10 0 BHAERO CC1CCC(C[NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000381590385 367433985 /nfs/dbraw/zinc/43/39/85/367433985.db2.gz DKLFPEKVBYRMOI-WXRRBKDZSA-N 1 0 245.357 3.838 10 0 BHAERO CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(C)C ZINC000381599257 367435894 /nfs/dbraw/zinc/43/58/94/367435894.db2.gz MYTSDQADCUDESB-AGIUHOORSA-N 1 0 243.460 3.931 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(C)C ZINC000381599258 367435913 /nfs/dbraw/zinc/43/59/13/367435913.db2.gz MYTSDQADCUDESB-AVGNSLFASA-N 1 0 243.460 3.931 10 0 BHAERO CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(C)C ZINC000381599259 367436155 /nfs/dbraw/zinc/43/61/55/367436155.db2.gz MYTSDQADCUDESB-FRRDWIJNSA-N 1 0 243.460 3.931 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(C)C ZINC000381599260 367435791 /nfs/dbraw/zinc/43/57/91/367435791.db2.gz MYTSDQADCUDESB-RWMBFGLXSA-N 1 0 243.460 3.931 10 0 BHAERO CC[C@@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000381618039 367439102 /nfs/dbraw/zinc/43/91/02/367439102.db2.gz WOMNBTRTFFWHKO-LLVKDONJSA-N 1 0 233.346 3.979 10 0 BHAERO CC[C@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000381618040 367439275 /nfs/dbraw/zinc/43/92/75/367439275.db2.gz WOMNBTRTFFWHKO-NSHDSACASA-N 1 0 233.346 3.979 10 0 BHAERO C[C@H]1SCC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381709834 539005686 /nfs/dbraw/zinc/00/56/86/539005686.db2.gz KAMLKPAEBWZZNS-FVCCEPFGSA-N 1 0 241.444 3.685 10 0 BHAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381709838 539006145 /nfs/dbraw/zinc/00/61/45/539006145.db2.gz KAMLKPAEBWZZNS-MROQNXINSA-N 1 0 241.444 3.685 10 0 BHAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381709840 539006059 /nfs/dbraw/zinc/00/60/59/539006059.db2.gz KAMLKPAEBWZZNS-NDBYEHHHSA-N 1 0 241.444 3.685 10 0 BHAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381709842 539005791 /nfs/dbraw/zinc/00/57/91/539005791.db2.gz KAMLKPAEBWZZNS-VOAKCMCISA-N 1 0 241.444 3.685 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381712906 367450563 /nfs/dbraw/zinc/45/05/63/367450563.db2.gz KNYJSYXRIWPESI-GHMZBOCLSA-N 1 0 233.346 3.979 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381712909 367449516 /nfs/dbraw/zinc/44/95/16/367449516.db2.gz KNYJSYXRIWPESI-MNOVXSKESA-N 1 0 233.346 3.979 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381712913 367450475 /nfs/dbraw/zinc/45/04/75/367450475.db2.gz KNYJSYXRIWPESI-QWRGUYRKSA-N 1 0 233.346 3.979 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381712923 367450196 /nfs/dbraw/zinc/45/01/96/367450196.db2.gz KNYJSYXRIWPESI-WDEREUQCSA-N 1 0 233.346 3.979 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000381734569 367452983 /nfs/dbraw/zinc/45/29/83/367452983.db2.gz LIEOSEGQNVNWGZ-GHMZBOCLSA-N 1 0 211.374 3.752 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000381734570 367452586 /nfs/dbraw/zinc/45/25/86/367452586.db2.gz LIEOSEGQNVNWGZ-MNOVXSKESA-N 1 0 211.374 3.752 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000381734571 367453029 /nfs/dbraw/zinc/45/30/29/367453029.db2.gz LIEOSEGQNVNWGZ-QWRGUYRKSA-N 1 0 211.374 3.752 10 0 BHAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000381734572 367453017 /nfs/dbraw/zinc/45/30/17/367453017.db2.gz LIEOSEGQNVNWGZ-WDEREUQCSA-N 1 0 211.374 3.752 10 0 BHAERO FC1(F)CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000381791585 346865447 /nfs/dbraw/zinc/86/54/47/346865447.db2.gz BAYRXVLTQIRDNJ-GFCCVEGCSA-N 1 0 231.330 3.688 10 0 BHAERO FC1(F)CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000381791587 349273754 /nfs/dbraw/zinc/27/37/54/349273754.db2.gz BAYRXVLTQIRDNJ-LBPRGKRZSA-N 1 0 231.330 3.688 10 0 BHAERO c1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000382062577 367483158 /nfs/dbraw/zinc/48/31/58/367483158.db2.gz YAIMBWPJYMBVSJ-SUUOEQEQSA-N 1 0 241.378 3.711 10 0 BHAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000382062579 367482462 /nfs/dbraw/zinc/48/24/62/367482462.db2.gz YAIMBWPJYMBVSJ-TXCCRRKCSA-N 1 0 241.378 3.711 10 0 BHAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000382062581 367482990 /nfs/dbraw/zinc/48/29/90/367482990.db2.gz YAIMBWPJYMBVSJ-VEDYZNCASA-N 1 0 241.378 3.711 10 0 BHAERO c1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000382062584 367482296 /nfs/dbraw/zinc/48/22/96/367482296.db2.gz YAIMBWPJYMBVSJ-XIVZWITCSA-N 1 0 241.378 3.711 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccsc1 ZINC000382076687 367484245 /nfs/dbraw/zinc/48/42/45/367484245.db2.gz DJWACLVPVVBTKO-KGYLQXTDSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccsc1 ZINC000382076692 367484257 /nfs/dbraw/zinc/48/42/57/367484257.db2.gz DJWACLVPVVBTKO-RAIGVLPGSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccsc1 ZINC000382076706 367484423 /nfs/dbraw/zinc/48/44/23/367484423.db2.gz DJWACLVPVVBTKO-RTXFEEFZSA-N 1 0 223.385 3.977 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccsc1 ZINC000382076711 367484566 /nfs/dbraw/zinc/48/45/66/367484566.db2.gz DJWACLVPVVBTKO-WXHSDQCUSA-N 1 0 223.385 3.977 10 0 BHAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)s1 ZINC000382121437 398255705 /nfs/dbraw/zinc/25/57/05/398255705.db2.gz GLIMAGXYBQNLKU-IACUBPJLSA-N 1 0 235.396 3.643 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccsc1 ZINC000382149856 367491179 /nfs/dbraw/zinc/49/11/79/367491179.db2.gz SCKHHNVGXFAUQB-CMPLNLGQSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccsc1 ZINC000382150257 367490743 /nfs/dbraw/zinc/49/07/43/367490743.db2.gz SCKHHNVGXFAUQB-JQWIXIFHSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccsc1 ZINC000382150258 367491155 /nfs/dbraw/zinc/49/11/55/367491155.db2.gz SCKHHNVGXFAUQB-PWSUYJOCSA-N 1 0 211.374 3.833 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccsc1 ZINC000382150259 367491075 /nfs/dbraw/zinc/49/10/75/367491075.db2.gz SCKHHNVGXFAUQB-ZYHUDNBSSA-N 1 0 211.374 3.833 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000382152825 367491033 /nfs/dbraw/zinc/49/10/33/367491033.db2.gz QASULPZKYHOBBI-FDYHWXHSSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000382152829 367490544 /nfs/dbraw/zinc/49/05/44/367490544.db2.gz QASULPZKYHOBBI-LPWJVIDDSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000382152838 367491203 /nfs/dbraw/zinc/49/12/03/367491203.db2.gz QASULPZKYHOBBI-XQHKEYJVSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000382152843 367490446 /nfs/dbraw/zinc/49/04/46/367490446.db2.gz QASULPZKYHOBBI-YVECIDJPSA-N 1 0 241.444 3.685 10 0 BHAERO Cc1cc(Cl)cc(C[NH2+][C@H](C)C(C)C)c1 ZINC000382177653 397917884 /nfs/dbraw/zinc/91/78/84/397917884.db2.gz YLDYQPYFNRTBPD-LLVKDONJSA-N 1 0 225.763 3.783 10 0 BHAERO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000382177699 397917932 /nfs/dbraw/zinc/91/79/32/397917932.db2.gz YLDYQPYFNRTBPD-NSHDSACASA-N 1 0 225.763 3.783 10 0 BHAERO Cc1csc(C[NH2+]CC2CCC(C)CC2)c1 ZINC000382191188 397919093 /nfs/dbraw/zinc/91/90/93/397919093.db2.gz RHZQKTVGLUXHRX-UHFFFAOYSA-N 1 0 237.412 3.972 10 0 BHAERO CC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000382212233 349269300 /nfs/dbraw/zinc/26/93/00/349269300.db2.gz HHEVQFPIQSTRGF-XBFCOCLRSA-N 1 0 209.377 3.591 10 0 BHAERO CC(C)C1([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000382212372 367499374 /nfs/dbraw/zinc/49/93/74/367499374.db2.gz HJECSNPOFQJUQO-UHFFFAOYSA-N 1 0 241.737 3.757 10 0 BHAERO CC[C@H](C)C[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000382274348 367502368 /nfs/dbraw/zinc/50/23/68/367502368.db2.gz CBHGLJCAHVLKQP-AEGPPILISA-N 1 0 217.356 3.568 10 0 BHAERO CC[C@@H](C)C[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000382274351 347255134 /nfs/dbraw/zinc/25/51/34/347255134.db2.gz CBHGLJCAHVLKQP-VHDGCEQUSA-N 1 0 217.356 3.568 10 0 BHAERO CC(C)C1([NH2+][C@@H]2C=CCCCCC2)CC1 ZINC000382307902 367505061 /nfs/dbraw/zinc/50/50/61/367505061.db2.gz PHORROYELIKHNO-CYBMUJFWSA-N 1 0 207.361 3.654 10 0 BHAERO CC(C)C1([NH2+][C@H]2C=CCCCCC2)CC1 ZINC000382307913 367505716 /nfs/dbraw/zinc/50/57/16/367505716.db2.gz PHORROYELIKHNO-ZDUSSCGKSA-N 1 0 207.361 3.654 10 0 BHAERO CC(C)C1([NH2+]CC2CCC(C)CC2)CC1 ZINC000382330736 367508098 /nfs/dbraw/zinc/50/80/98/367508098.db2.gz WKPWJDHABASNGO-UHFFFAOYSA-N 1 0 209.377 3.591 10 0 BHAERO CCC[C@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000382339786 357465836 /nfs/dbraw/zinc/46/58/36/357465836.db2.gz ZHEZZGOPMITAAB-AEGPPILISA-N 1 0 217.356 3.711 10 0 BHAERO CCC[C@@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000382339787 347285182 /nfs/dbraw/zinc/28/51/82/347285182.db2.gz ZHEZZGOPMITAAB-VHDGCEQUSA-N 1 0 217.356 3.711 10 0 BHAERO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000382374599 367512180 /nfs/dbraw/zinc/51/21/80/367512180.db2.gz HLJHNPIRBAQEHO-UGFHNGPFSA-N 1 0 221.388 3.591 10 0 BHAERO CC[C@@H]([NH2+]CCC1(F)CCC1)C(C)(C)C ZINC000382395063 347309088 /nfs/dbraw/zinc/30/90/88/347309088.db2.gz YVKBGLPQXBUWRT-LLVKDONJSA-N 1 0 215.356 3.683 10 0 BHAERO CC[C@H]([NH2+]CCC1(F)CCC1)C(C)(C)C ZINC000382395064 347308938 /nfs/dbraw/zinc/30/89/38/347308938.db2.gz YVKBGLPQXBUWRT-NSHDSACASA-N 1 0 215.356 3.683 10 0 BHAERO CCC1([NH2+]C[C@@H]2Cc3ccccc32)CCCC1 ZINC000382561275 367540132 /nfs/dbraw/zinc/54/01/32/367540132.db2.gz LENCHRYNYVZYQX-AWEZNQCLSA-N 1 0 229.367 3.639 10 0 BHAERO CCC1([NH2+]C[C@H]2Cc3ccccc32)CCCC1 ZINC000382561279 367539644 /nfs/dbraw/zinc/53/96/44/367539644.db2.gz LENCHRYNYVZYQX-CQSZACIVSA-N 1 0 229.367 3.639 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(F)c(F)c1 ZINC000383508748 367631787 /nfs/dbraw/zinc/63/17/87/367631787.db2.gz GGRFTXLCTDHKRX-AEISUSGSSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)c(F)c1 ZINC000383508768 367631635 /nfs/dbraw/zinc/63/16/35/367631635.db2.gz GGRFTXLCTDHKRX-DLVJRCHESA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000383508782 367631756 /nfs/dbraw/zinc/63/17/56/367631756.db2.gz GGRFTXLCTDHKRX-MAGOMRGPSA-N 1 0 239.309 3.660 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000383508792 367631982 /nfs/dbraw/zinc/63/19/82/367631982.db2.gz GGRFTXLCTDHKRX-RUMNANIHSA-N 1 0 239.309 3.660 10 0 BHAERO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000383733617 367649919 /nfs/dbraw/zinc/64/99/19/367649919.db2.gz BEHWAADTDXPRCR-HZSPNIEDSA-N 1 0 241.419 3.606 10 0 BHAERO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000383733619 367650038 /nfs/dbraw/zinc/65/00/38/367650038.db2.gz BEHWAADTDXPRCR-MCIONIFRSA-N 1 0 241.419 3.606 10 0 BHAERO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000383733620 367649893 /nfs/dbraw/zinc/64/98/93/367649893.db2.gz BEHWAADTDXPRCR-MGPQQGTHSA-N 1 0 241.419 3.606 10 0 BHAERO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000383733621 367649926 /nfs/dbraw/zinc/64/99/26/367649926.db2.gz BEHWAADTDXPRCR-RDBSUJKOSA-N 1 0 241.419 3.606 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385519397 367840157 /nfs/dbraw/zinc/84/01/57/367840157.db2.gz AWOQUNFQARXOPH-GUIRCDHDSA-N 1 0 247.382 3.780 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385519400 367840745 /nfs/dbraw/zinc/84/07/45/367840745.db2.gz AWOQUNFQARXOPH-PWNZVWSESA-N 1 0 247.382 3.780 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385519406 367840110 /nfs/dbraw/zinc/84/01/10/367840110.db2.gz AWOQUNFQARXOPH-SFDCQRBFSA-N 1 0 247.382 3.780 10 0 BHAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385519410 367840454 /nfs/dbraw/zinc/84/04/54/367840454.db2.gz AWOQUNFQARXOPH-UKTARXLSSA-N 1 0 247.382 3.780 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000387550886 344796210 /nfs/dbraw/zinc/79/62/10/344796210.db2.gz TYMSPWAKHVTERA-AAEUAGOBSA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000387550887 344796225 /nfs/dbraw/zinc/79/62/25/344796225.db2.gz TYMSPWAKHVTERA-DGCLKSJQSA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000387550888 344796326 /nfs/dbraw/zinc/79/63/26/344796326.db2.gz TYMSPWAKHVTERA-WCQYABFASA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000387550890 344796390 /nfs/dbraw/zinc/79/63/90/344796390.db2.gz TYMSPWAKHVTERA-YPMHNXCESA-N 1 0 236.359 3.602 10 0 BHAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000389215465 355883864 /nfs/dbraw/zinc/88/38/64/355883864.db2.gz KFRYJFKGHSLTNS-GMTAPVOTSA-N 1 0 209.358 3.587 10 0 BHAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccs1 ZINC000389215466 355884283 /nfs/dbraw/zinc/88/42/83/355884283.db2.gz KFRYJFKGHSLTNS-MXWKQRLJSA-N 1 0 209.358 3.587 10 0 BHAERO CC(C)[C@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000389280564 539016293 /nfs/dbraw/zinc/01/62/93/539016293.db2.gz RKUMZZPASDOPAB-JTQLQIEISA-N 1 0 211.374 3.617 10 0 BHAERO CC(C)[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000389280565 539016106 /nfs/dbraw/zinc/01/61/06/539016106.db2.gz RKUMZZPASDOPAB-SNVBAGLBSA-N 1 0 211.374 3.617 10 0 BHAERO CCSCCC[NH2+][C@H](CC)C(C)(C)C ZINC000389307220 355960981 /nfs/dbraw/zinc/96/09/81/355960981.db2.gz NXRYKMCHKOJZKN-LLVKDONJSA-N 1 0 217.422 3.544 10 0 BHAERO CCSCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000389307221 355961013 /nfs/dbraw/zinc/96/10/13/355961013.db2.gz NXRYKMCHKOJZKN-NSHDSACASA-N 1 0 217.422 3.544 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CC1(C)C ZINC000389871589 357058171 /nfs/dbraw/zinc/05/81/71/357058171.db2.gz JSNLJIJTHTZHLC-DMDPSCGWSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CC1(C)C ZINC000389871590 357058326 /nfs/dbraw/zinc/05/83/26/357058326.db2.gz JSNLJIJTHTZHLC-GMXVVIOVSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CC1(C)C ZINC000389871592 357058395 /nfs/dbraw/zinc/05/83/95/357058395.db2.gz JSNLJIJTHTZHLC-GVXVVHGQSA-N 1 0 209.377 3.589 10 0 BHAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CC1(C)C ZINC000389871593 357058281 /nfs/dbraw/zinc/05/82/81/357058281.db2.gz JSNLJIJTHTZHLC-LOWVWBTDSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCC12CCCC2)C(C)C ZINC000389904043 357064800 /nfs/dbraw/zinc/06/48/00/357064800.db2.gz FVALTMWURIOJCU-CHWSQXEVSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCC12CCCC2)C(C)C ZINC000389904044 357064998 /nfs/dbraw/zinc/06/49/98/357064998.db2.gz FVALTMWURIOJCU-OLZOCXBDSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCC12CCCC2)C(C)C ZINC000389904045 357065083 /nfs/dbraw/zinc/06/50/83/357065083.db2.gz FVALTMWURIOJCU-QWHCGFSZSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCC12CCCC2)C(C)C ZINC000389904046 357064802 /nfs/dbraw/zinc/06/48/02/357064802.db2.gz FVALTMWURIOJCU-STQMWFEESA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(C)C ZINC000389907111 357065798 /nfs/dbraw/zinc/06/57/98/357065798.db2.gz HNNDRIXYDVIOOL-HZSPNIEDSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(C)C ZINC000389907112 357065868 /nfs/dbraw/zinc/06/58/68/357065868.db2.gz HNNDRIXYDVIOOL-IHRRRGAJSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(C)C ZINC000389907113 357066036 /nfs/dbraw/zinc/06/60/36/357066036.db2.gz HNNDRIXYDVIOOL-MELADBBJSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(C)C ZINC000389907114 357065737 /nfs/dbraw/zinc/06/57/37/357065737.db2.gz HNNDRIXYDVIOOL-RDBSUJKOSA-N 1 0 209.377 3.589 10 0 BHAERO CC[C@@H]([NH2+]CC1(C2CC2)CC1)C(C)(C)C ZINC000389952287 357072506 /nfs/dbraw/zinc/07/25/06/357072506.db2.gz SNBOQMVOZRNQEI-GFCCVEGCSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H]([NH2+]CC1(C2CC2)CC1)C(C)(C)C ZINC000389952289 357072488 /nfs/dbraw/zinc/07/24/88/357072488.db2.gz SNBOQMVOZRNQEI-LBPRGKRZSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CC12CCCC2)C(C)(C)C ZINC000389952969 357072503 /nfs/dbraw/zinc/07/25/03/357072503.db2.gz STWJGKWIOGYABV-NEPJUHHUSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CC12CCCC2)C(C)(C)C ZINC000389952970 357072373 /nfs/dbraw/zinc/07/23/73/357072373.db2.gz STWJGKWIOGYABV-NWDGAFQWSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@H]([NH2+][C@H]1CC12CCCC2)C(C)(C)C ZINC000389952971 357072460 /nfs/dbraw/zinc/07/24/60/357072460.db2.gz STWJGKWIOGYABV-RYUDHWBXSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CC12CCCC2)C(C)(C)C ZINC000389952972 357072587 /nfs/dbraw/zinc/07/25/87/357072587.db2.gz STWJGKWIOGYABV-VXGBXAGGSA-N 1 0 209.377 3.733 10 0 BHAERO CC[C@@H]([NH2+]CCc1ccsc1)C(C)(C)C ZINC000389985461 357079104 /nfs/dbraw/zinc/07/91/04/357079104.db2.gz LSLPZVCOFCYYCN-GFCCVEGCSA-N 1 0 225.401 3.705 10 0 BHAERO CC[C@H]([NH2+]CCc1ccsc1)C(C)(C)C ZINC000389985462 357079474 /nfs/dbraw/zinc/07/94/74/357079474.db2.gz LSLPZVCOFCYYCN-LBPRGKRZSA-N 1 0 225.401 3.705 10 0 BHAERO CC1CCC(C[NH2+]CCCC(C)(F)F)CC1 ZINC000390095453 259380135 /nfs/dbraw/zinc/38/01/35/259380135.db2.gz LXVOONKJWOPSKV-UHFFFAOYSA-N 1 0 233.346 3.838 10 0 BHAERO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000390402533 357097078 /nfs/dbraw/zinc/09/70/78/357097078.db2.gz AHRNVTLOAKMTHU-CHWSQXEVSA-N 1 0 227.367 3.541 10 0 BHAERO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000390402536 357096698 /nfs/dbraw/zinc/09/66/98/357096698.db2.gz AHRNVTLOAKMTHU-OLZOCXBDSA-N 1 0 227.367 3.541 10 0 BHAERO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000390402539 357096836 /nfs/dbraw/zinc/09/68/36/357096836.db2.gz AHRNVTLOAKMTHU-QWHCGFSZSA-N 1 0 227.367 3.541 10 0 BHAERO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000390402541 357096968 /nfs/dbraw/zinc/09/69/68/357096968.db2.gz AHRNVTLOAKMTHU-STQMWFEESA-N 1 0 227.367 3.541 10 0 BHAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccoc1 ZINC000390451012 357093670 /nfs/dbraw/zinc/09/36/70/357093670.db2.gz ZPQYTJQTSHVVIE-MRVPVSSYSA-N 1 0 235.249 3.519 10 0 BHAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccoc1 ZINC000390451014 357093751 /nfs/dbraw/zinc/09/37/51/357093751.db2.gz ZPQYTJQTSHVVIE-QMMMGPOBSA-N 1 0 235.249 3.519 10 0 BHAERO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000390500948 259391461 /nfs/dbraw/zinc/39/14/61/259391461.db2.gz UPQONXAGRRUHMI-CHWSQXEVSA-N 1 0 247.423 3.638 10 0 BHAERO CSCCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000390500949 259391322 /nfs/dbraw/zinc/39/13/22/259391322.db2.gz UPQONXAGRRUHMI-OLZOCXBDSA-N 1 0 247.423 3.638 10 0 BHAERO CSCCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000390500950 259391252 /nfs/dbraw/zinc/39/12/52/259391252.db2.gz UPQONXAGRRUHMI-QWHCGFSZSA-N 1 0 247.423 3.638 10 0 BHAERO CSCCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000390500951 259391332 /nfs/dbraw/zinc/39/13/32/259391332.db2.gz UPQONXAGRRUHMI-STQMWFEESA-N 1 0 247.423 3.638 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000390519280 259391801 /nfs/dbraw/zinc/39/18/01/259391801.db2.gz DUYFRBDSKBJXKZ-CMPLNLGQSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000390519281 259391677 /nfs/dbraw/zinc/39/16/77/259391677.db2.gz DUYFRBDSKBJXKZ-JQWIXIFHSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000390519282 259391917 /nfs/dbraw/zinc/39/19/17/259391917.db2.gz DUYFRBDSKBJXKZ-PWSUYJOCSA-N 1 0 240.778 3.820 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000390519283 259391642 /nfs/dbraw/zinc/39/16/42/259391642.db2.gz DUYFRBDSKBJXKZ-ZYHUDNBSSA-N 1 0 240.778 3.820 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000390522391 259392573 /nfs/dbraw/zinc/39/25/73/259392573.db2.gz FROCCTKNMQPHQT-GHMZBOCLSA-N 1 0 237.309 3.887 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000390522394 259392299 /nfs/dbraw/zinc/39/22/99/259392299.db2.gz FROCCTKNMQPHQT-MNOVXSKESA-N 1 0 237.309 3.887 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000390522396 259392415 /nfs/dbraw/zinc/39/24/15/259392415.db2.gz FROCCTKNMQPHQT-QWRGUYRKSA-N 1 0 237.309 3.887 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000390522397 259392490 /nfs/dbraw/zinc/39/24/90/259392490.db2.gz FROCCTKNMQPHQT-WDEREUQCSA-N 1 0 237.309 3.887 10 0 BHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CCC1 ZINC000390591381 259394388 /nfs/dbraw/zinc/39/43/88/259394388.db2.gz ZMAWNKDTIKUQAI-CHWSQXEVSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000390591383 259394431 /nfs/dbraw/zinc/39/44/31/259394431.db2.gz ZMAWNKDTIKUQAI-OLZOCXBDSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CCC1 ZINC000390591400 259394752 /nfs/dbraw/zinc/39/47/52/259394752.db2.gz ZMAWNKDTIKUQAI-QWHCGFSZSA-N 1 0 241.444 3.831 10 0 BHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000390591403 259394420 /nfs/dbraw/zinc/39/44/20/259394420.db2.gz ZMAWNKDTIKUQAI-STQMWFEESA-N 1 0 241.444 3.831 10 0 BHAERO C[C@@H](COCc1ccccc1)[NH2+]CCC(C)(C)C ZINC000390593673 259394522 /nfs/dbraw/zinc/39/45/22/259394522.db2.gz RBONTJIVHHDASH-AWEZNQCLSA-N 1 0 249.398 3.618 10 0 BHAERO C[C@H](COCc1ccccc1)[NH2+]CCC(C)(C)C ZINC000390593674 259394556 /nfs/dbraw/zinc/39/45/56/259394556.db2.gz RBONTJIVHHDASH-CQSZACIVSA-N 1 0 249.398 3.618 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390593757 539026529 /nfs/dbraw/zinc/02/65/29/539026529.db2.gz RIJMVFAMNZQQDE-KKUMJFAQSA-N 1 0 249.398 3.616 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390593758 539026419 /nfs/dbraw/zinc/02/64/19/539026419.db2.gz RIJMVFAMNZQQDE-RRFJBIMHSA-N 1 0 249.398 3.616 10 0 BHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390593762 539026438 /nfs/dbraw/zinc/02/64/38/539026438.db2.gz RIJMVFAMNZQQDE-SOUVJXGZSA-N 1 0 249.398 3.616 10 0 BHAERO CC[C@H](C)[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390593763 539026421 /nfs/dbraw/zinc/02/64/21/539026421.db2.gz RIJMVFAMNZQQDE-ZNMIVQPWSA-N 1 0 249.398 3.616 10 0 BHAERO CC(C)CCC[NH2+][C@@H](C)COCc1ccccc1 ZINC000390651895 539026702 /nfs/dbraw/zinc/02/67/02/539026702.db2.gz XZWPPHMHGUZXAQ-HNNXBMFYSA-N 1 0 249.398 3.618 10 0 BHAERO CC(C)CCC[NH2+][C@H](C)COCc1ccccc1 ZINC000390651897 539026711 /nfs/dbraw/zinc/02/67/11/539026711.db2.gz XZWPPHMHGUZXAQ-OAHLLOKOSA-N 1 0 249.398 3.618 10 0 BHAERO CCCc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000390679435 371226625 /nfs/dbraw/zinc/22/66/25/371226625.db2.gz ZCVLBHMUHYGMLP-CYBMUJFWSA-N 1 0 219.372 3.773 10 0 BHAERO CCCc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000390679437 371227178 /nfs/dbraw/zinc/22/71/78/371227178.db2.gz ZCVLBHMUHYGMLP-ZDUSSCGKSA-N 1 0 219.372 3.773 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000390757307 385473235 /nfs/dbraw/zinc/47/32/35/385473235.db2.gz IVKKDSSGBGCVIY-AAEUAGOBSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000390757308 385472487 /nfs/dbraw/zinc/47/24/87/385472487.db2.gz IVKKDSSGBGCVIY-DGCLKSJQSA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000390757309 385473684 /nfs/dbraw/zinc/47/36/84/385473684.db2.gz IVKKDSSGBGCVIY-WCQYABFASA-N 1 0 223.360 3.982 10 0 BHAERO CC[C@H]([NH2+][C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000390757310 385473269 /nfs/dbraw/zinc/47/32/69/385473269.db2.gz IVKKDSSGBGCVIY-YPMHNXCESA-N 1 0 223.360 3.982 10 0 BHAERO CCCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000390770493 398098253 /nfs/dbraw/zinc/09/82/53/398098253.db2.gz VQMSCMLRSBQEQX-CHWSQXEVSA-N 1 0 227.367 3.685 10 0 BHAERO CCCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000390770494 398098323 /nfs/dbraw/zinc/09/83/23/398098323.db2.gz VQMSCMLRSBQEQX-OLZOCXBDSA-N 1 0 227.367 3.685 10 0 BHAERO CCCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000390770496 259415213 /nfs/dbraw/zinc/41/52/13/259415213.db2.gz VQMSCMLRSBQEQX-QWHCGFSZSA-N 1 0 227.367 3.685 10 0 BHAERO CCCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000390770497 398098347 /nfs/dbraw/zinc/09/83/47/398098347.db2.gz VQMSCMLRSBQEQX-STQMWFEESA-N 1 0 227.367 3.685 10 0 BHAERO CC[C@@H]([NH2+]CCCOC(C)(C)C)C(C)(C)C ZINC000390774899 537855326 /nfs/dbraw/zinc/85/53/26/537855326.db2.gz ZRQHUMXLPIWWHI-GFCCVEGCSA-N 1 0 229.408 3.606 10 0 BHAERO CC[C@H]([NH2+]CCCOC(C)(C)C)C(C)(C)C ZINC000390774900 539027291 /nfs/dbraw/zinc/02/72/91/539027291.db2.gz ZRQHUMXLPIWWHI-LBPRGKRZSA-N 1 0 229.408 3.606 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000390785893 385900715 /nfs/dbraw/zinc/90/07/15/385900715.db2.gz PDGLCEULBDGFCA-CRWXNKLISA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000390785894 385901151 /nfs/dbraw/zinc/90/11/51/385901151.db2.gz PDGLCEULBDGFCA-DGAVXFQQSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000390785895 385901508 /nfs/dbraw/zinc/90/15/08/385901508.db2.gz PDGLCEULBDGFCA-MQYQWHSLSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000390785896 385900484 /nfs/dbraw/zinc/90/04/84/385900484.db2.gz PDGLCEULBDGFCA-SYQHCUMBSA-N 1 0 227.367 3.683 10 0 BHAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000390818195 385924181 /nfs/dbraw/zinc/92/41/81/385924181.db2.gz QEYRVFZNZYOZFC-KBPBESRZSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000390818196 385924087 /nfs/dbraw/zinc/92/40/87/385924087.db2.gz QEYRVFZNZYOZFC-KGLIPLIRSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000390818197 385925737 /nfs/dbraw/zinc/92/57/37/385925737.db2.gz QEYRVFZNZYOZFC-UONOGXRCSA-N 1 0 227.367 3.685 10 0 BHAERO FCC[C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000390818198 385925524 /nfs/dbraw/zinc/92/55/24/385925524.db2.gz QEYRVFZNZYOZFC-ZIAGYGMSSA-N 1 0 227.367 3.685 10 0 BHAERO CCC(CC)(CC)C[NH2+]Cc1cccc(C)n1 ZINC000391171103 539027593 /nfs/dbraw/zinc/02/75/93/539027593.db2.gz HIXFQKIHHHYONZ-UHFFFAOYSA-N 1 0 234.387 3.696 10 0 BHAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393161288 410301871 /nfs/dbraw/zinc/30/18/71/410301871.db2.gz WQUVIZAKWMTNTE-WUHRBBMRSA-N 1 0 235.396 3.896 10 0 BHAERO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000393483060 410698204 /nfs/dbraw/zinc/69/82/04/410698204.db2.gz PEHHWSJTKSAWRS-JTQLQIEISA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(Cl)cc(C[NH2+][C@H](C)C2CC2)c1 ZINC000393483062 410699112 /nfs/dbraw/zinc/69/91/12/410699112.db2.gz PEHHWSJTKSAWRS-SNVBAGLBSA-N 1 0 223.747 3.537 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000393521108 259310214 /nfs/dbraw/zinc/31/02/14/259310214.db2.gz PDGLCEULBDGFCA-AAVRWANBSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000393521109 259310241 /nfs/dbraw/zinc/31/02/41/259310241.db2.gz PDGLCEULBDGFCA-REWJHTLYSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000393521111 259310227 /nfs/dbraw/zinc/31/02/27/259310227.db2.gz PDGLCEULBDGFCA-RFQIPJPRSA-N 1 0 227.367 3.683 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000393521112 259310181 /nfs/dbraw/zinc/31/01/81/259310181.db2.gz PDGLCEULBDGFCA-YIYPIFLZSA-N 1 0 227.367 3.683 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000393598564 631821784 /nfs/dbraw/zinc/82/17/84/631821784.db2.gz NCCGUNBUKPEDLY-DZKIICNBSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000393598566 631822339 /nfs/dbraw/zinc/82/23/39/631822339.db2.gz NCCGUNBUKPEDLY-LZWOXQAQSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000393598568 631822035 /nfs/dbraw/zinc/82/20/35/631822035.db2.gz NCCGUNBUKPEDLY-OFQRWUPVSA-N 1 0 247.382 3.603 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000393598570 631821852 /nfs/dbraw/zinc/82/18/52/631821852.db2.gz NCCGUNBUKPEDLY-SQWLQELKSA-N 1 0 247.382 3.603 10 0 BHAERO CC[C@@H]([NH2+]CCCCCSC)C(C)(C)C ZINC000393602075 388435384 /nfs/dbraw/zinc/43/53/84/388435384.db2.gz BBLFJYFTOIKRDS-GFCCVEGCSA-N 1 0 231.449 3.934 10 0 BHAERO CC[C@H]([NH2+]CCCCCSC)C(C)(C)C ZINC000393602076 388434937 /nfs/dbraw/zinc/43/49/37/388434937.db2.gz BBLFJYFTOIKRDS-LBPRGKRZSA-N 1 0 231.449 3.934 10 0 BHAERO CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)C(C)(C)C ZINC000393607733 582818909 /nfs/dbraw/zinc/81/89/09/582818909.db2.gz JIILEMXJAPKWTK-NXEZZACHSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@H]([NH2+][C@H]1CCCC1(F)F)C(C)(C)C ZINC000393607735 582818886 /nfs/dbraw/zinc/81/88/86/582818886.db2.gz JIILEMXJAPKWTK-UWVGGRQHSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCCC1(F)F)C(C)(C)C ZINC000393607738 582818842 /nfs/dbraw/zinc/81/88/42/582818842.db2.gz JIILEMXJAPKWTK-VHSXEESVSA-N 1 0 219.319 3.589 10 0 BHAERO CC[C@@H]([NH2+][C@H]1CCCC1(F)F)C(C)(C)C ZINC000393607739 582818851 /nfs/dbraw/zinc/81/88/51/582818851.db2.gz JIILEMXJAPKWTK-ZJUUUORDSA-N 1 0 219.319 3.589 10 0 BHAERO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000393613064 582821089 /nfs/dbraw/zinc/82/10/89/582821089.db2.gz GSJMRJAVZMSWDB-CHWSQXEVSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(CC)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000393613066 582821027 /nfs/dbraw/zinc/82/10/27/582821027.db2.gz GSJMRJAVZMSWDB-OLZOCXBDSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000393613068 582820843 /nfs/dbraw/zinc/82/08/43/582820843.db2.gz GSJMRJAVZMSWDB-QWHCGFSZSA-N 1 0 215.356 3.541 10 0 BHAERO CCC(CC)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000393613069 582821006 /nfs/dbraw/zinc/82/10/06/582821006.db2.gz GSJMRJAVZMSWDB-STQMWFEESA-N 1 0 215.356 3.541 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000393614575 259361513 /nfs/dbraw/zinc/36/15/13/259361513.db2.gz NCHFJJQKBNNHIC-AAEUAGOBSA-N 1 0 229.433 3.542 10 0 BHAERO CC[C@@H]([NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000393614577 259361564 /nfs/dbraw/zinc/36/15/64/259361564.db2.gz NCHFJJQKBNNHIC-DGCLKSJQSA-N 1 0 229.433 3.542 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000393614579 259361519 /nfs/dbraw/zinc/36/15/19/259361519.db2.gz NCHFJJQKBNNHIC-WCQYABFASA-N 1 0 229.433 3.542 10 0 BHAERO CC[C@H]([NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000393614581 259361558 /nfs/dbraw/zinc/36/15/58/259361558.db2.gz NCHFJJQKBNNHIC-YPMHNXCESA-N 1 0 229.433 3.542 10 0 BHAERO CC[C@@H]([NH2+]CCCCSC)C(C)(C)C ZINC000393688767 387864540 /nfs/dbraw/zinc/86/45/40/387864540.db2.gz KQLCNGCNXCPNCP-LLVKDONJSA-N 1 0 217.422 3.544 10 0 BHAERO CC[C@H]([NH2+]CCCCSC)C(C)(C)C ZINC000393688768 387863856 /nfs/dbraw/zinc/86/38/56/387863856.db2.gz KQLCNGCNXCPNCP-NSHDSACASA-N 1 0 217.422 3.544 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393805930 259387795 /nfs/dbraw/zinc/38/77/95/259387795.db2.gz QASULPZKYHOBBI-FVCCEPFGSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393805932 259387645 /nfs/dbraw/zinc/38/76/45/259387645.db2.gz QASULPZKYHOBBI-MROQNXINSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000393805934 259387699 /nfs/dbraw/zinc/38/76/99/259387699.db2.gz QASULPZKYHOBBI-NDBYEHHHSA-N 1 0 241.444 3.685 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000393805937 259387728 /nfs/dbraw/zinc/38/77/28/259387728.db2.gz QASULPZKYHOBBI-VOAKCMCISA-N 1 0 241.444 3.685 10 0 BHAERO CCc1ccccc1C[NH2+]C1(C(C)C)CC1 ZINC000393942275 357321537 /nfs/dbraw/zinc/32/15/37/357321537.db2.gz ZSDOBDITSTUHOK-UHFFFAOYSA-N 1 0 217.356 3.527 10 0 BHAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000394120053 342878241 /nfs/dbraw/zinc/87/82/41/342878241.db2.gz VYFMYFGVBMAVHW-BLMDWJLWSA-N 1 0 241.378 3.842 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000394120056 342878331 /nfs/dbraw/zinc/87/83/31/342878331.db2.gz VYFMYFGVBMAVHW-KNHPQMQCSA-N 1 0 241.378 3.842 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000394120058 342878390 /nfs/dbraw/zinc/87/83/90/342878390.db2.gz VYFMYFGVBMAVHW-MPCAOIJTSA-N 1 0 241.378 3.842 10 0 BHAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000394120060 342878326 /nfs/dbraw/zinc/87/83/26/342878326.db2.gz VYFMYFGVBMAVHW-TVGUXLQWSA-N 1 0 241.378 3.842 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1csc(C)c1 ZINC000394428725 322997802 /nfs/dbraw/zinc/99/78/02/322997802.db2.gz ATDAVZMEKNVHQX-DMDPSCGWSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1csc(C)c1 ZINC000394428726 322997793 /nfs/dbraw/zinc/99/77/93/322997793.db2.gz ATDAVZMEKNVHQX-LOWVWBTDSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1csc(C)c1 ZINC000394428727 384588335 /nfs/dbraw/zinc/58/83/35/384588335.db2.gz ATDAVZMEKNVHQX-NQBHXWOUSA-N 1 0 223.385 3.896 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1csc(C)c1 ZINC000394428729 384588611 /nfs/dbraw/zinc/58/86/11/384588611.db2.gz ATDAVZMEKNVHQX-WZRBSPASSA-N 1 0 223.385 3.896 10 0 BHAERO Cc1cc([C@H](C)[NH2+]C2CCCC2)ccc1F ZINC000394495037 582987764 /nfs/dbraw/zinc/98/77/64/582987764.db2.gz GDVAVIUKRSOULP-NSHDSACASA-N 1 0 221.319 3.727 10 0 BHAERO C[C@H]([NH2+]CCC1CCCCCC1)[C@H]1CCCO1 ZINC000394555545 583017125 /nfs/dbraw/zinc/01/71/25/583017125.db2.gz CKMRDSCRDWFKOF-DZGCQCFKSA-N 1 0 239.403 3.504 10 0 BHAERO C[C@@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCCO1 ZINC000394555546 583016761 /nfs/dbraw/zinc/01/67/61/583016761.db2.gz CKMRDSCRDWFKOF-HIFRSBDPSA-N 1 0 239.403 3.504 10 0 BHAERO C[C@@H]([NH2+]CCC1CCCCCC1)[C@H]1CCCO1 ZINC000394555547 583017074 /nfs/dbraw/zinc/01/70/74/583017074.db2.gz CKMRDSCRDWFKOF-UKRRQHHQSA-N 1 0 239.403 3.504 10 0 BHAERO C[C@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCCO1 ZINC000394555548 582993718 /nfs/dbraw/zinc/99/37/18/582993718.db2.gz CKMRDSCRDWFKOF-ZFWWWQNUSA-N 1 0 239.403 3.504 10 0 BHAERO C(C[C@@H]1CCCO1)[NH2+]CCC1CCCCCC1 ZINC000394569468 582994549 /nfs/dbraw/zinc/99/45/49/582994549.db2.gz KPFADBXASDKUSN-HNNXBMFYSA-N 1 0 239.403 3.506 10 0 BHAERO C(C[C@H]1CCCO1)[NH2+]CCC1CCCCCC1 ZINC000394569471 582994871 /nfs/dbraw/zinc/99/48/71/582994871.db2.gz KPFADBXASDKUSN-OAHLLOKOSA-N 1 0 239.403 3.506 10 0 BHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(CSC)CC1 ZINC000395110137 323187270 /nfs/dbraw/zinc/18/72/70/323187270.db2.gz OIAPISSSLYWLPD-FKZOYECMSA-N 1 0 241.444 3.686 10 0 BHAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(CSC)CC1 ZINC000395110141 323187231 /nfs/dbraw/zinc/18/72/31/323187231.db2.gz OIAPISSSLYWLPD-GNRIBBGQSA-N 1 0 241.444 3.686 10 0 BHAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(CSC)CC1 ZINC000395110145 323076542 /nfs/dbraw/zinc/07/65/42/323076542.db2.gz OIAPISSSLYWLPD-HHTDUIENSA-N 1 0 241.444 3.686 10 0 BHAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC(CSC)CC1 ZINC000395110148 323187268 /nfs/dbraw/zinc/18/72/68/323187268.db2.gz OIAPISSSLYWLPD-YIOUJQMASA-N 1 0 241.444 3.686 10 0 BHAERO C(C[NH2+]CC[C@@H]1CCCO1)CC1CCCCC1 ZINC000395159194 583045311 /nfs/dbraw/zinc/04/53/11/583045311.db2.gz SAFSLEIYNQIVPU-HNNXBMFYSA-N 1 0 239.403 3.506 10 0 BHAERO C(C[NH2+]CC[C@H]1CCCO1)CC1CCCCC1 ZINC000395159197 583045354 /nfs/dbraw/zinc/04/53/54/583045354.db2.gz SAFSLEIYNQIVPU-OAHLLOKOSA-N 1 0 239.403 3.506 10 0 BHAERO CCC(CC)(CC)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000395211293 583049601 /nfs/dbraw/zinc/04/96/01/583049601.db2.gz ILASZPWAYICBMB-GFCCVEGCSA-N 1 0 238.375 3.850 10 0 BHAERO CCC(CC)(CC)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000395211295 583049929 /nfs/dbraw/zinc/04/99/29/583049929.db2.gz ILASZPWAYICBMB-LBPRGKRZSA-N 1 0 238.375 3.850 10 0 BHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CSC2)cc1 ZINC000396456472 583082255 /nfs/dbraw/zinc/08/22/55/583082255.db2.gz MWHXJOVCTTVIBB-GFCCVEGCSA-N 1 0 249.423 3.651 10 0 BHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C2CSC2)cc1 ZINC000396456474 583082458 /nfs/dbraw/zinc/08/24/58/583082458.db2.gz MWHXJOVCTTVIBB-LBPRGKRZSA-N 1 0 249.423 3.651 10 0 BHAERO CCCC[C@@]1(CC)[NH2+]CCc2sccc21 ZINC000397115945 583096870 /nfs/dbraw/zinc/09/68/70/583096870.db2.gz HQKZRSSCUSJRDZ-CYBMUJFWSA-N 1 0 223.385 3.689 10 0 BHAERO CCCC[C@]1(CC)[NH2+]CCc2sccc21 ZINC000397115947 583096983 /nfs/dbraw/zinc/09/69/83/583096983.db2.gz HQKZRSSCUSJRDZ-ZDUSSCGKSA-N 1 0 223.385 3.689 10 0 BHAERO CCc1ccc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000397136107 583097026 /nfs/dbraw/zinc/09/70/26/583097026.db2.gz YKAJQCHRXALORO-CYBMUJFWSA-N 1 0 249.404 3.607 10 0 BHAERO CCc1ccc([C@H]2[NH2+]CCc3sccc32)s1 ZINC000397136110 583097214 /nfs/dbraw/zinc/09/72/14/583097214.db2.gz YKAJQCHRXALORO-ZDUSSCGKSA-N 1 0 249.404 3.607 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@@H]2CC1CCCC1 ZINC000397145363 583097515 /nfs/dbraw/zinc/09/75/15/583097515.db2.gz FVITZVVAMZDFDY-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@H]2CC1CCCC1 ZINC000397145366 583097776 /nfs/dbraw/zinc/09/77/76/583097776.db2.gz FVITZVVAMZDFDY-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CC1(C)CCC2(CC1)[NH2+]CCc1sccc12 ZINC000397150717 583097512 /nfs/dbraw/zinc/09/75/12/583097512.db2.gz IVULVDKTKLOKIR-UHFFFAOYSA-N 1 0 235.396 3.689 10 0 BHAERO CC1([C@@H]2[NH2+]CCc3sccc32)CCCCC1 ZINC000397152813 583097644 /nfs/dbraw/zinc/09/76/44/583097644.db2.gz LANDLEUOYSSXRV-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO CC1([C@H]2[NH2+]CCc3sccc32)CCCCC1 ZINC000397152815 583097957 /nfs/dbraw/zinc/09/79/57/583097957.db2.gz LANDLEUOYSSXRV-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@H]2C1CCCCCC1 ZINC000397156671 583097721 /nfs/dbraw/zinc/09/77/21/583097721.db2.gz OQSRBEGODPFOJU-AWEZNQCLSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@@H]2C1CCCCCC1 ZINC000397156672 583097532 /nfs/dbraw/zinc/09/75/32/583097532.db2.gz OQSRBEGODPFOJU-CQSZACIVSA-N 1 0 235.396 3.905 10 0 BHAERO Cc1cc([C@@H]2[NH2+]CCc3sccc32)c(C)s1 ZINC000397158498 583097673 /nfs/dbraw/zinc/09/76/73/583097673.db2.gz QQTNRDDJBACZBN-CYBMUJFWSA-N 1 0 249.404 3.662 10 0 BHAERO Cc1cc([C@H]2[NH2+]CCc3sccc32)c(C)s1 ZINC000397158499 583097517 /nfs/dbraw/zinc/09/75/17/583097517.db2.gz QQTNRDDJBACZBN-ZDUSSCGKSA-N 1 0 249.404 3.662 10 0 BHAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCc1sccc12 ZINC000397167412 583098085 /nfs/dbraw/zinc/09/80/85/583098085.db2.gz CJRFLQIOHYXNOF-GHMZBOCLSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397167415 583098242 /nfs/dbraw/zinc/09/82/42/583098242.db2.gz CJRFLQIOHYXNOF-GNXNZQSNSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CCc1sccc12 ZINC000397167420 583098367 /nfs/dbraw/zinc/09/83/67/583098367.db2.gz CJRFLQIOHYXNOF-QWRGUYRKSA-N 1 0 235.396 3.545 10 0 BHAERO CC(C)CC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397168205 583098061 /nfs/dbraw/zinc/09/80/61/583098061.db2.gz CUSWFEVTFNWHMA-CYBMUJFWSA-N 1 0 223.385 3.545 10 0 BHAERO CC(C)CC[C@]1(C)[NH2+]CCc2sccc21 ZINC000397168208 583098564 /nfs/dbraw/zinc/09/85/64/583098564.db2.gz CUSWFEVTFNWHMA-ZDUSSCGKSA-N 1 0 223.385 3.545 10 0 BHAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397178053 583098543 /nfs/dbraw/zinc/09/85/43/583098543.db2.gz GPRZCJSYLAGUHQ-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO CC1(C)CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397178060 583098244 /nfs/dbraw/zinc/09/82/44/583098244.db2.gz GPRZCJSYLAGUHQ-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1CCCC[C@H]1[C@@H]1[NH2+]CCc2sccc21 ZINC000397178461 583098241 /nfs/dbraw/zinc/09/82/41/583098241.db2.gz HSLJQHCSELOROW-GYSYKLTISA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@H]1[C@H]1[NH2+]CCc2sccc21 ZINC000397178462 583098229 /nfs/dbraw/zinc/09/82/29/583098229.db2.gz HSLJQHCSELOROW-JTNHKYCSSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[C@@H]1[NH2+]CCc2sccc21 ZINC000397178463 583098592 /nfs/dbraw/zinc/09/85/92/583098592.db2.gz HSLJQHCSELOROW-SUNKGSAMSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[C@H]1[NH2+]CCc2sccc21 ZINC000397178464 583098613 /nfs/dbraw/zinc/09/86/13/583098613.db2.gz HSLJQHCSELOROW-UHIISALHSA-N 1 0 235.396 3.761 10 0 BHAERO c1cc2c(s1)CC[NH2+]C21CCCCCCC1 ZINC000397184015 583098272 /nfs/dbraw/zinc/09/82/72/583098272.db2.gz KPHGWKNSQUPECZ-UHFFFAOYSA-N 1 0 235.396 3.833 10 0 BHAERO C[C@H]([C@H]1[NH2+]CCc2sccc21)C(C)(C)C ZINC000397189705 583098617 /nfs/dbraw/zinc/09/86/17/583098617.db2.gz NXHXJXXRGSBWHA-BXKDBHETSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@@H]([C@@H]1[NH2+]CCc2sccc21)C(C)(C)C ZINC000397189707 583098391 /nfs/dbraw/zinc/09/83/91/583098391.db2.gz NXHXJXXRGSBWHA-CABZTGNLSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@@H]([C@H]1[NH2+]CCc2sccc21)C(C)(C)C ZINC000397189709 583098470 /nfs/dbraw/zinc/09/84/70/583098470.db2.gz NXHXJXXRGSBWHA-JOYOIKCWSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@H]([C@@H]1[NH2+]CCc2sccc21)C(C)(C)C ZINC000397189710 583098475 /nfs/dbraw/zinc/09/84/75/583098475.db2.gz NXHXJXXRGSBWHA-SKDRFNHKSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@H](C)[C@@H]1[NH2+]CCc2sccc21 ZINC000397191224 583098188 /nfs/dbraw/zinc/09/81/88/583098188.db2.gz ORQWCVRKIYKFOF-GWCFXTLKSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@H](C)[C@H]1[NH2+]CCc2sccc21 ZINC000397191228 583098287 /nfs/dbraw/zinc/09/82/87/583098287.db2.gz ORQWCVRKIYKFOF-GXFFZTMASA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@@H](C)[C@@H]1[NH2+]CCc2sccc21 ZINC000397191232 583098270 /nfs/dbraw/zinc/09/82/70/583098270.db2.gz ORQWCVRKIYKFOF-MFKMUULPSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@@H](C)[C@H]1[NH2+]CCc2sccc21 ZINC000397191236 583098357 /nfs/dbraw/zinc/09/83/57/583098357.db2.gz ORQWCVRKIYKFOF-ZWNOBZJWSA-N 1 0 223.385 3.617 10 0 BHAERO CCCC1(CCC)[NH2+]CCc2sccc21 ZINC000397192289 583099171 /nfs/dbraw/zinc/09/91/71/583099171.db2.gz PNWJOQGFONDNTN-UHFFFAOYSA-N 1 0 223.385 3.689 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000397193716 583098337 /nfs/dbraw/zinc/09/83/37/583098337.db2.gz QUSYEQKPRKMMJW-UHFFFAOYSA-N 1 0 235.396 3.689 10 0 BHAERO CC(C)C(C(C)C)[C@H]1[NH2+]CCc2sccc21 ZINC000397201105 583098231 /nfs/dbraw/zinc/09/82/31/583098231.db2.gz WCDAPZQTPJRBPP-AWEZNQCLSA-N 1 0 237.412 3.863 10 0 BHAERO CC(C)C(C(C)C)[C@@H]1[NH2+]CCc2sccc21 ZINC000397201109 583098674 /nfs/dbraw/zinc/09/86/74/583098674.db2.gz WCDAPZQTPJRBPP-CQSZACIVSA-N 1 0 237.412 3.863 10 0 BHAERO CCC[C@@]1(C2CCC2)[NH2+]CCc2sccc21 ZINC000397204957 583098926 /nfs/dbraw/zinc/09/89/26/583098926.db2.gz YVCFELVEOUGJGU-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO CCC[C@]1(C2CCC2)[NH2+]CCc2sccc21 ZINC000397204958 583099075 /nfs/dbraw/zinc/09/90/75/583099075.db2.gz YVCFELVEOUGJGU-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1CC[C@@]2(C[C@H]1C)[NH2+]CCc1sccc12 ZINC000397207125 583098934 /nfs/dbraw/zinc/09/89/34/583098934.db2.gz UQARRAYPUKJDHW-GYSYKLTISA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@]2(C[C@H]1C)[NH2+]CCc1sccc12 ZINC000397207126 583098990 /nfs/dbraw/zinc/09/89/90/583098990.db2.gz UQARRAYPUKJDHW-JTNHKYCSSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@@]2(C[C@@H]1C)[NH2+]CCc1sccc12 ZINC000397207127 583099115 /nfs/dbraw/zinc/09/91/15/583099115.db2.gz UQARRAYPUKJDHW-SUNKGSAMSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@]2(C[C@@H]1C)[NH2+]CCc1sccc12 ZINC000397207128 583098952 /nfs/dbraw/zinc/09/89/52/583098952.db2.gz UQARRAYPUKJDHW-UHIISALHSA-N 1 0 235.396 3.545 10 0 BHAERO CCCCC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397208880 583099117 /nfs/dbraw/zinc/09/91/17/583099117.db2.gz CWDIBQJONKBKFQ-CYBMUJFWSA-N 1 0 223.385 3.689 10 0 BHAERO CCCCC[C@]1(C)[NH2+]CCc2sccc21 ZINC000397208881 583098895 /nfs/dbraw/zinc/09/88/95/583098895.db2.gz CWDIBQJONKBKFQ-ZDUSSCGKSA-N 1 0 223.385 3.689 10 0 BHAERO CC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397219903 583099005 /nfs/dbraw/zinc/09/90/05/583099005.db2.gz FDIISJJDWLXVBJ-FZMZJTMJSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397219907 583099195 /nfs/dbraw/zinc/09/91/95/583099195.db2.gz FDIISJJDWLXVBJ-RISCZKNCSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397219910 583099144 /nfs/dbraw/zinc/09/91/44/583099144.db2.gz FDIISJJDWLXVBJ-SMDDNHRTSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@@H](C)C[C@@]1(CC)[NH2+]CCc2sccc21 ZINC000397226690 583098819 /nfs/dbraw/zinc/09/88/19/583098819.db2.gz NUGFEXMDXNXMKR-BXUZGUMPSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@H](C)C[C@]1(CC)[NH2+]CCc2sccc21 ZINC000397226691 583099089 /nfs/dbraw/zinc/09/90/89/583099089.db2.gz NUGFEXMDXNXMKR-FZMZJTMJSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@@H](C)C[C@]1(CC)[NH2+]CCc2sccc21 ZINC000397226693 583099148 /nfs/dbraw/zinc/09/91/48/583099148.db2.gz NUGFEXMDXNXMKR-RISCZKNCSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@H](C)C[C@@]1(CC)[NH2+]CCc2sccc21 ZINC000397226695 583098977 /nfs/dbraw/zinc/09/89/77/583098977.db2.gz NUGFEXMDXNXMKR-SMDDNHRTSA-N 1 0 237.412 3.935 10 0 BHAERO CC1([C@@H]2[NH2+]CCc3sccc32)CCCC1 ZINC000397239241 583098859 /nfs/dbraw/zinc/09/88/59/583098859.db2.gz QPFBFOLVJIMNNF-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO CC1([C@H]2[NH2+]CCc3sccc32)CCCC1 ZINC000397239243 583099130 /nfs/dbraw/zinc/09/91/30/583099130.db2.gz QPFBFOLVJIMNNF-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CC(C)(C)C[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397240041 583099155 /nfs/dbraw/zinc/09/91/55/583099155.db2.gz XKMATYGSYCAPFW-CYBMUJFWSA-N 1 0 223.385 3.545 10 0 BHAERO CC(C)(C)C[C@]1(C)[NH2+]CCc2sccc21 ZINC000397240043 583098970 /nfs/dbraw/zinc/09/89/70/583098970.db2.gz XKMATYGSYCAPFW-ZDUSSCGKSA-N 1 0 223.385 3.545 10 0 BHAERO CCCCCC[C@H]1[NH2+]CCc2sccc21 ZINC000397243528 583099177 /nfs/dbraw/zinc/09/91/77/583099177.db2.gz ZGPLDPUTQILSQQ-GFCCVEGCSA-N 1 0 223.385 3.905 10 0 BHAERO CCCCCC[C@@H]1[NH2+]CCc2sccc21 ZINC000397243530 583099032 /nfs/dbraw/zinc/09/90/32/583099032.db2.gz ZGPLDPUTQILSQQ-LBPRGKRZSA-N 1 0 223.385 3.905 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@@H]2[NH2+]CCc3sccc32)C1 ZINC000397272047 583098974 /nfs/dbraw/zinc/09/89/74/583098974.db2.gz DJVHTCJZRVRWTM-GYSYKLTISA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@H]2[NH2+]CCc3sccc32)C1 ZINC000397272048 583099091 /nfs/dbraw/zinc/09/90/91/583099091.db2.gz DJVHTCJZRVRWTM-JTNHKYCSSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@H]([C@@H]2[NH2+]CCc3sccc32)C1 ZINC000397272050 583099164 /nfs/dbraw/zinc/09/91/64/583099164.db2.gz DJVHTCJZRVRWTM-SUNKGSAMSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@H]([C@H]2[NH2+]CCc3sccc32)C1 ZINC000397272052 583099188 /nfs/dbraw/zinc/09/91/88/583099188.db2.gz DJVHTCJZRVRWTM-UHIISALHSA-N 1 0 235.396 3.761 10 0 BHAERO CC(C)(C)CC[C@]1(C)[NH2+]CCc2sccc21 ZINC000397288448 583618969 /nfs/dbraw/zinc/61/89/69/583618969.db2.gz KFZDEYKIDVBNKF-AWEZNQCLSA-N 1 0 237.412 3.935 10 0 BHAERO CC(C)(C)CC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397288450 583099642 /nfs/dbraw/zinc/09/96/42/583099642.db2.gz KFZDEYKIDVBNKF-CQSZACIVSA-N 1 0 237.412 3.935 10 0 BHAERO CC1CCC([C@@H]2[NH2+]CCc3sccc32)CC1 ZINC000397293959 583099546 /nfs/dbraw/zinc/09/95/46/583099546.db2.gz MHMAUHUOBXOPSU-MGULZYLOSA-N 1 0 235.396 3.761 10 0 BHAERO CC1CCC([C@H]2[NH2+]CCc3sccc32)CC1 ZINC000397293961 583137168 /nfs/dbraw/zinc/13/71/68/583137168.db2.gz MHMAUHUOBXOPSU-QIMFLAQGSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000397336425 583100203 /nfs/dbraw/zinc/10/02/03/583100203.db2.gz ZLAQLUPDQWSOBQ-BXUZGUMPSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000397336428 583100315 /nfs/dbraw/zinc/10/03/15/583100315.db2.gz ZLAQLUPDQWSOBQ-FZMZJTMJSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000397336430 583100359 /nfs/dbraw/zinc/10/03/59/583100359.db2.gz ZLAQLUPDQWSOBQ-RISCZKNCSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000397336433 583100455 /nfs/dbraw/zinc/10/04/55/583100455.db2.gz ZLAQLUPDQWSOBQ-SMDDNHRTSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397562409 384456230 /nfs/dbraw/zinc/45/62/30/384456230.db2.gz BEYKRSFHOLLDTA-FPMFFAJLSA-N 1 0 232.371 3.557 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397562410 384454731 /nfs/dbraw/zinc/45/47/31/384454731.db2.gz BEYKRSFHOLLDTA-IACUBPJLSA-N 1 0 232.371 3.557 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1CC1(C)C ZINC000397607643 388483123 /nfs/dbraw/zinc/48/31/23/388483123.db2.gz HPTASBJWCYNJFW-FPMFFAJLSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1CC1(C)C ZINC000397607646 262927602 /nfs/dbraw/zinc/92/76/02/262927602.db2.gz HPTASBJWCYNJFW-IACUBPJLSA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@@H]1CC1(C)C ZINC000397607650 262927539 /nfs/dbraw/zinc/92/75/39/262927539.db2.gz HPTASBJWCYNJFW-UBHSHLNASA-N 1 0 245.366 3.534 10 0 BHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1CC1(C)C ZINC000397607655 388483083 /nfs/dbraw/zinc/48/30/83/388483083.db2.gz HPTASBJWCYNJFW-YUTCNCBUSA-N 1 0 245.366 3.534 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397683825 488134073 /nfs/dbraw/zinc/13/40/73/488134073.db2.gz UUBKYTDYWQGYPF-RWMBFGLXSA-N 1 0 232.371 3.557 10 0 BHAERO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397683830 488133739 /nfs/dbraw/zinc/13/37/39/488133739.db2.gz UUBKYTDYWQGYPF-YNEHKIRRSA-N 1 0 232.371 3.557 10 0 BHAERO CC[C@@]1([C@H]2CC2(C)C)[NH2+]CCc2sccc21 ZINC000397700962 583107306 /nfs/dbraw/zinc/10/73/06/583107306.db2.gz RKVAMNBOTBMVRS-GXTWGEPZSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@]1([C@H]2CC2(C)C)[NH2+]CCc2sccc21 ZINC000397700965 583107338 /nfs/dbraw/zinc/10/73/38/583107338.db2.gz RKVAMNBOTBMVRS-JSGCOSHPSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@]1([C@@H]2CC2(C)C)[NH2+]CCc2sccc21 ZINC000397700968 583107012 /nfs/dbraw/zinc/10/70/12/583107012.db2.gz RKVAMNBOTBMVRS-OCCSQVGLSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@@]1([C@@H]2CC2(C)C)[NH2+]CCc2sccc21 ZINC000397700971 583106941 /nfs/dbraw/zinc/10/69/41/583106941.db2.gz RKVAMNBOTBMVRS-TZMCWYRMSA-N 1 0 235.396 3.545 10 0 BHAERO CC(C)=CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000397768553 350975505 /nfs/dbraw/zinc/97/55/05/350975505.db2.gz OGKCMIKAGIYLAV-GFCCVEGCSA-N 1 0 248.326 3.602 10 0 BHAERO CC(C)=CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000397768554 350975681 /nfs/dbraw/zinc/97/56/81/350975681.db2.gz OGKCMIKAGIYLAV-LBPRGKRZSA-N 1 0 248.326 3.602 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397853203 398123730 /nfs/dbraw/zinc/12/37/30/398123730.db2.gz WOCVZQPOJVNYRL-OBJOEFQTSA-N 1 0 247.382 3.780 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397853206 398123526 /nfs/dbraw/zinc/12/35/26/398123526.db2.gz WOCVZQPOJVNYRL-OUCADQQQSA-N 1 0 247.382 3.780 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397853733 388506448 /nfs/dbraw/zinc/50/64/48/388506448.db2.gz WOCVZQPOJVNYRL-SCRDCRAPSA-N 1 0 247.382 3.780 10 0 BHAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397853736 388506085 /nfs/dbraw/zinc/50/60/85/388506085.db2.gz WOCVZQPOJVNYRL-SGMGOOAPSA-N 1 0 247.382 3.780 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)[C@H]1CC1(C)C ZINC000397868533 388507235 /nfs/dbraw/zinc/50/72/35/388507235.db2.gz ZMDXLPACQBLXJQ-AEJSXWLSSA-N 1 0 237.309 3.742 10 0 BHAERO CC[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@H]1CC1(C)C ZINC000397868534 388507683 /nfs/dbraw/zinc/50/76/83/388507683.db2.gz ZMDXLPACQBLXJQ-BBBLOLIVSA-N 1 0 237.309 3.742 10 0 BHAERO CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)[C@@H]1CC1(C)C ZINC000397868535 388506989 /nfs/dbraw/zinc/50/69/89/388506989.db2.gz ZMDXLPACQBLXJQ-GUBZILKMSA-N 1 0 237.309 3.742 10 0 BHAERO CC[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H]1CC1(C)C ZINC000397868536 388507198 /nfs/dbraw/zinc/50/71/98/388507198.db2.gz ZMDXLPACQBLXJQ-UTLUCORTSA-N 1 0 237.309 3.742 10 0 BHAERO Cc1ccc(C[NH2+]CC2(C)CCCCCC2)nc1 ZINC000400859712 490568512 /nfs/dbraw/zinc/56/85/12/490568512.db2.gz LMQPRYRVZLEEIZ-UHFFFAOYSA-N 1 0 246.398 3.840 10 0 BHAERO Cc1cc(C[NH2+][C@H](C)c2cccc(C)c2)sn1 ZINC000404349558 384966447 /nfs/dbraw/zinc/96/64/47/384966447.db2.gz IOFKBEMOMMKLOM-GFCCVEGCSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)sn1 ZINC000404349559 384964599 /nfs/dbraw/zinc/96/45/99/384964599.db2.gz IOFKBEMOMMKLOM-LBPRGKRZSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccns2)cc1C ZINC000404415790 351431745 /nfs/dbraw/zinc/43/17/45/351431745.db2.gz FVXYUJXVIGDYMC-GFCCVEGCSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccns2)cc1C ZINC000404415793 351431863 /nfs/dbraw/zinc/43/18/63/351431863.db2.gz FVXYUJXVIGDYMC-LBPRGKRZSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1cc(C[NH2+][C@@H](C)c2ccccc2C)sn1 ZINC000404436514 384995053 /nfs/dbraw/zinc/99/50/53/384995053.db2.gz GPICUDACRKEBPB-LBPRGKRZSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccns2)c(C)c1 ZINC000404445315 351459323 /nfs/dbraw/zinc/45/93/23/351459323.db2.gz CRGYTISUENQGAO-GFCCVEGCSA-N 1 0 246.379 3.611 10 0 BHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccns2)c(C)c1 ZINC000404445317 351459213 /nfs/dbraw/zinc/45/92/13/351459213.db2.gz CRGYTISUENQGAO-LBPRGKRZSA-N 1 0 246.379 3.611 10 0 BHAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccns2)cc1 ZINC000404473103 351472482 /nfs/dbraw/zinc/47/24/82/351472482.db2.gz STLNDESZXKWYCQ-LLVKDONJSA-N 1 0 246.379 3.556 10 0 BHAERO CCC[C@@H]([NH2+]C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000417327963 386498463 /nfs/dbraw/zinc/49/84/63/386498463.db2.gz HRSFLLDLFZOULY-GHMZBOCLSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@H]([NH2+]C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000417327966 386498883 /nfs/dbraw/zinc/49/88/83/386498883.db2.gz HRSFLLDLFZOULY-MNOVXSKESA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000417327973 386499615 /nfs/dbraw/zinc/49/96/15/386499615.db2.gz HRSFLLDLFZOULY-QWRGUYRKSA-N 1 0 231.330 3.589 10 0 BHAERO CCC[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000417327975 386498359 /nfs/dbraw/zinc/49/83/59/386498359.db2.gz HRSFLLDLFZOULY-WDEREUQCSA-N 1 0 231.330 3.589 10 0 BHAERO [NH3+]C1CCC(Nc2cccc(C3CCC3)c2)CC1 ZINC000423137586 518197265 /nfs/dbraw/zinc/19/72/65/518197265.db2.gz IFXOCTVEXLVWNV-UHFFFAOYSA-N 1 0 244.382 3.636 10 0 BHAERO c1cc(N[C@H]2CCC[NH2+]CC2)cc(C2CCC2)c1 ZINC000423143294 387920428 /nfs/dbraw/zinc/92/04/28/387920428.db2.gz WXFQOYOOQQGITJ-HNNXBMFYSA-N 1 0 244.382 3.508 10 0 BHAERO c1cc(N[C@@H]2CCC[NH2+]CC2)cc(C2CCC2)c1 ZINC000423143295 387920711 /nfs/dbraw/zinc/92/07/11/387920711.db2.gz WXFQOYOOQQGITJ-OAHLLOKOSA-N 1 0 244.382 3.508 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429455105 201108529 /nfs/dbraw/zinc/10/85/29/201108529.db2.gz PBYSKJHOYLWBSA-KGYLQXTDSA-N 1 0 245.357 3.835 10 0 BHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429455111 201108115 /nfs/dbraw/zinc/10/81/15/201108115.db2.gz PBYSKJHOYLWBSA-WXHSDQCUSA-N 1 0 245.357 3.835 10 0 BHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429463866 201109804 /nfs/dbraw/zinc/10/98/04/201109804.db2.gz HOBPWKDQNINODI-NEPJUHHUSA-N 1 0 245.357 3.979 10 0 BHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429463867 201108472 /nfs/dbraw/zinc/10/84/72/201108472.db2.gz HOBPWKDQNINODI-NWDGAFQWSA-N 1 0 245.357 3.979 10 0 BHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429463868 201107879 /nfs/dbraw/zinc/10/78/79/201107879.db2.gz HOBPWKDQNINODI-RYUDHWBXSA-N 1 0 245.357 3.979 10 0 BHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429463869 201108776 /nfs/dbraw/zinc/10/87/76/201108776.db2.gz HOBPWKDQNINODI-VXGBXAGGSA-N 1 0 245.357 3.979 10 0 BHAERO CCC[C@@H]([NH2+]C1CC(F)(F)C1)C1CCCC1 ZINC000449282467 388167118 /nfs/dbraw/zinc/16/71/18/388167118.db2.gz HVDUURCWWOWTIQ-GFCCVEGCSA-N 1 0 231.330 3.733 10 0 BHAERO CCC[C@H]([NH2+]C1CC(F)(F)C1)C1CCCC1 ZINC000449282468 388167415 /nfs/dbraw/zinc/16/74/15/388167415.db2.gz HVDUURCWWOWTIQ-LBPRGKRZSA-N 1 0 231.330 3.733 10 0 BHAERO C[C@H](CC(C)(C)C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000449304711 201863668 /nfs/dbraw/zinc/86/36/68/201863668.db2.gz PORVSHVKCBCALP-AGIUHOORSA-N 1 0 241.419 3.604 10 0 BHAERO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449304712 388170521 /nfs/dbraw/zinc/17/05/21/388170521.db2.gz PORVSHVKCBCALP-FQUUOJAGSA-N 1 0 241.419 3.604 10 0 BHAERO C[C@H](CC(C)(C)C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000449304713 201863164 /nfs/dbraw/zinc/86/31/64/201863164.db2.gz PORVSHVKCBCALP-JHJVBQTASA-N 1 0 241.419 3.604 10 0 BHAERO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449304714 388170674 /nfs/dbraw/zinc/17/06/74/388170674.db2.gz PORVSHVKCBCALP-YIYPIFLZSA-N 1 0 241.419 3.604 10 0 BHAERO C[C@@H]1C[C@@H](C[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000466426624 388118601 /nfs/dbraw/zinc/11/86/01/388118601.db2.gz VSZCTFUYSMNEAU-BTTYYORXSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@@H]1CC(C[NH2+]C2CCCCCC2)C[C@@H](C)O1 ZINC000466426625 388118470 /nfs/dbraw/zinc/11/84/70/388118470.db2.gz VSZCTFUYSMNEAU-CHWSQXEVSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@H]1CC(C[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000466426626 388118751 /nfs/dbraw/zinc/11/87/51/388118751.db2.gz VSZCTFUYSMNEAU-STQMWFEESA-N 1 0 239.403 3.502 10 0 BHAERO CCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467433599 528782211 /nfs/dbraw/zinc/78/22/11/528782211.db2.gz JWBSAOCEOKFNEA-LXTVHRRPSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC[C@H](CC)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000467433600 528914260 /nfs/dbraw/zinc/91/42/60/528914260.db2.gz JWBSAOCEOKFNEA-NFAWXSAZSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467433601 528915534 /nfs/dbraw/zinc/91/55/34/528915534.db2.gz JWBSAOCEOKFNEA-XGUBFFRZSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC[C@H](CC)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000467433602 528914446 /nfs/dbraw/zinc/91/44/46/528914446.db2.gz JWBSAOCEOKFNEA-YDHLFZDLSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC(CCC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467441403 528000351 /nfs/dbraw/zinc/00/03/51/528000351.db2.gz FROOPCLHSZNZDD-BTTYYORXSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC(CCC)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000467441404 527998613 /nfs/dbraw/zinc/99/86/13/527998613.db2.gz FROOPCLHSZNZDD-CHWSQXEVSA-N 1 0 241.419 3.748 10 0 BHAERO CCCC(CCC)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000467441405 527998181 /nfs/dbraw/zinc/99/81/81/527998181.db2.gz FROOPCLHSZNZDD-STQMWFEESA-N 1 0 241.419 3.748 10 0 BHAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467456100 527805042 /nfs/dbraw/zinc/80/50/42/527805042.db2.gz UAOANJPUQHJNDF-APIJFGDWSA-N 1 0 241.419 3.604 10 0 BHAERO CC(C)CC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000467456101 527843174 /nfs/dbraw/zinc/84/31/74/527843174.db2.gz UAOANJPUQHJNDF-BFHYXJOUSA-N 1 0 241.419 3.604 10 0 BHAERO CC(C)CC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000467456102 527843730 /nfs/dbraw/zinc/84/37/30/527843730.db2.gz UAOANJPUQHJNDF-IHRRRGAJSA-N 1 0 241.419 3.604 10 0 BHAERO CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467456103 527843493 /nfs/dbraw/zinc/84/34/93/527843493.db2.gz UAOANJPUQHJNDF-XQLPTFJDSA-N 1 0 241.419 3.604 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000484363923 533991793 /nfs/dbraw/zinc/99/17/93/533991793.db2.gz FGZOUKBCKIJZAH-AEGPPILISA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000484363925 534004953 /nfs/dbraw/zinc/00/49/53/534004953.db2.gz FGZOUKBCKIJZAH-BPLDGKMQSA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000484363926 534004971 /nfs/dbraw/zinc/00/49/71/534004971.db2.gz FGZOUKBCKIJZAH-NWANDNLSSA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000484363928 533994270 /nfs/dbraw/zinc/99/42/70/533994270.db2.gz FGZOUKBCKIJZAH-VHDGCEQUSA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000484374540 533991420 /nfs/dbraw/zinc/99/14/20/533991420.db2.gz GPLMJUJJYKVTIQ-AEGPPILISA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000484374541 534004414 /nfs/dbraw/zinc/00/44/14/534004414.db2.gz GPLMJUJJYKVTIQ-BPLDGKMQSA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000484374542 534004787 /nfs/dbraw/zinc/00/47/87/534004787.db2.gz GPLMJUJJYKVTIQ-NWANDNLSSA-N 1 0 249.423 3.848 10 0 BHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000484374543 533994087 /nfs/dbraw/zinc/99/40/87/533994087.db2.gz GPLMJUJJYKVTIQ-VHDGCEQUSA-N 1 0 249.423 3.848 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2SC)cc1 ZINC000484392665 529722530 /nfs/dbraw/zinc/72/25/30/529722530.db2.gz FDPHOTSOYIUMBT-CQDKDKBSSA-N 1 0 249.423 3.794 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2SC)cc1 ZINC000484392666 529722004 /nfs/dbraw/zinc/72/20/04/529722004.db2.gz FDPHOTSOYIUMBT-GLQYFDAESA-N 1 0 249.423 3.794 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2SC)cc1 ZINC000484392667 529722071 /nfs/dbraw/zinc/72/20/71/529722071.db2.gz FDPHOTSOYIUMBT-NILFDRSVSA-N 1 0 249.423 3.794 10 0 BHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2SC)cc1 ZINC000484392668 529722343 /nfs/dbraw/zinc/72/23/43/529722343.db2.gz FDPHOTSOYIUMBT-TUKIKUTGSA-N 1 0 249.423 3.794 10 0 BHAERO CC1CCC(C[NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000484746132 528184031 /nfs/dbraw/zinc/18/40/31/528184031.db2.gz FUQAWPBIGNSJJC-BPCQOVAHSA-N 1 0 245.357 3.980 10 0 BHAERO CC1CCC(C[NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000484746133 528183317 /nfs/dbraw/zinc/18/33/17/528183317.db2.gz FUQAWPBIGNSJJC-WXRRBKDZSA-N 1 0 245.357 3.980 10 0 BHAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503568973 226332412 /nfs/dbraw/zinc/33/24/12/226332412.db2.gz LVMIOUOMUBBEPZ-LXTVHRRPSA-N 1 0 247.382 3.541 10 0 BHAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000503568974 226332538 /nfs/dbraw/zinc/33/25/38/226332538.db2.gz LVMIOUOMUBBEPZ-MCIONIFRSA-N 1 0 247.382 3.541 10 0 BHAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000503568975 533370070 /nfs/dbraw/zinc/37/00/70/533370070.db2.gz LVMIOUOMUBBEPZ-MGPQQGTHSA-N 1 0 247.382 3.541 10 0 BHAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503568976 226332452 /nfs/dbraw/zinc/33/24/52/226332452.db2.gz LVMIOUOMUBBEPZ-XGUBFFRZSA-N 1 0 247.382 3.541 10 0 BHAERO CCC[NH+](CCC)CCc1cccc(NCC)c1 ZINC000504619310 528060427 /nfs/dbraw/zinc/06/04/27/528060427.db2.gz LBJQKCWRMCCYDX-UHFFFAOYSA-N 1 0 248.414 3.783 10 0 BHAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000536950961 387163140 /nfs/dbraw/zinc/16/31/40/387163140.db2.gz MRCFKSZBZYNROH-CYBMUJFWSA-N 1 0 237.774 3.833 10 0 BHAERO CCC1(CC)C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000536950965 323955781 /nfs/dbraw/zinc/95/57/81/323955781.db2.gz MRCFKSZBZYNROH-ZDUSSCGKSA-N 1 0 237.774 3.833 10 0 BHAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000536951763 387163826 /nfs/dbraw/zinc/16/38/26/387163826.db2.gz VVWUDEQGJMNNIC-GFCCVEGCSA-N 1 0 237.774 3.833 10 0 BHAERO CCC1(CC)C[NH2+]C[C@H]1c1ccccc1Cl ZINC000536951764 323957385 /nfs/dbraw/zinc/95/73/85/323957385.db2.gz VVWUDEQGJMNNIC-LBPRGKRZSA-N 1 0 237.774 3.833 10 0 BHAERO CCC1(CC)C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000536951810 323957461 /nfs/dbraw/zinc/95/74/61/323957461.db2.gz XCWDTGAOXDTEDK-CYBMUJFWSA-N 1 0 237.774 3.833 10 0 BHAERO CCC1(CC)C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000536951814 387163437 /nfs/dbraw/zinc/16/34/37/387163437.db2.gz XCWDTGAOXDTEDK-ZDUSSCGKSA-N 1 0 237.774 3.833 10 0 BHAERO CC(C)n1ccc([C@@H]2[NH2+]CC23CCCCC3)c1 ZINC000536957581 387171567 /nfs/dbraw/zinc/17/15/67/387171567.db2.gz BXXQBLLRXOCIEX-AWEZNQCLSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)n1ccc([C@H]2[NH2+]CC23CCCCC3)c1 ZINC000536957582 323968638 /nfs/dbraw/zinc/96/86/38/323968638.db2.gz BXXQBLLRXOCIEX-CQSZACIVSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)Cn1ccc([C@@H]2[NH2+]CC23CCCCC3)c1 ZINC000536960890 323974307 /nfs/dbraw/zinc/97/43/07/323974307.db2.gz VDDYPNJDMCOXDM-HNNXBMFYSA-N 1 0 246.398 3.739 10 0 BHAERO CC(C)Cn1ccc([C@H]2[NH2+]CC23CCCCC3)c1 ZINC000536960893 323973949 /nfs/dbraw/zinc/97/39/49/323973949.db2.gz VDDYPNJDMCOXDM-OAHLLOKOSA-N 1 0 246.398 3.739 10 0 BHAERO Cc1cc(C)[nH+]c(N[C@H]2CCc3ccccc32)c1 ZINC000558090371 385298185 /nfs/dbraw/zinc/29/81/85/385298185.db2.gz LCEIVFDSAVIOPL-HNNXBMFYSA-N 1 0 238.334 3.798 10 0 BHAERO Cc1cc(C)[nH+]c(N[C@@H]2CCc3ccccc32)c1 ZINC000558090372 385297562 /nfs/dbraw/zinc/29/75/62/385297562.db2.gz LCEIVFDSAVIOPL-OAHLLOKOSA-N 1 0 238.334 3.798 10 0 BHAERO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000563898831 323208042 /nfs/dbraw/zinc/20/80/42/323208042.db2.gz RUNKRYLQKIGWLT-BHPKHCPMSA-N 1 0 223.404 3.979 10 0 BHAERO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000563898835 323207836 /nfs/dbraw/zinc/20/78/36/323207836.db2.gz RUNKRYLQKIGWLT-RGCMKSIDSA-N 1 0 223.404 3.979 10 0 BHAERO CCCC[NH+](CCCC)Cc1ccccc1 ZINC000575154875 346436712 /nfs/dbraw/zinc/43/67/12/346436712.db2.gz NQYBOOOWKBRCJA-UHFFFAOYSA-N 1 0 218.364 3.744 10 0 BHAERO CC1(C)CCCC(C)(C)[NH+]1Cc1ccccc1 ZINC000575191296 386977638 /nfs/dbraw/zinc/97/76/38/386977638.db2.gz AMDOXHNAAWXPOQ-UHFFFAOYSA-N 1 0 230.375 3.885 10 0 BHAERO CC(C)(C)CC(NC(C)(C)C)[NH2+]C(C)(C)C ZINC000575318843 387539862 /nfs/dbraw/zinc/53/98/62/387539862.db2.gz FVZVBOKHMPQJRY-UHFFFAOYSA-N 1 0 227.416 3.688 10 0 BHAERO [NH3+][C@H](CC(F)F)c1ccc(Cl)cc1Cl ZINC000575436911 387104374 /nfs/dbraw/zinc/10/43/74/387104374.db2.gz KQLQYZANYCANJT-MRVPVSSYSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@H](CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000575437405 387106353 /nfs/dbraw/zinc/10/63/53/387106353.db2.gz DVLHYVCRRHMDRI-MRVPVSSYSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000575437407 387107274 /nfs/dbraw/zinc/10/72/74/387107274.db2.gz DVLHYVCRRHMDRI-QMMMGPOBSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@H](CC(F)F)c1cc(Cl)ccc1Cl ZINC000575437491 387107173 /nfs/dbraw/zinc/10/71/73/387107173.db2.gz HKEAEKMLZFUNDD-MRVPVSSYSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1cc(Cl)ccc1Cl ZINC000575437492 387107783 /nfs/dbraw/zinc/10/77/83/387107783.db2.gz HKEAEKMLZFUNDD-QMMMGPOBSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@H](CC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000575437614 387109670 /nfs/dbraw/zinc/10/96/70/387109670.db2.gz KIMYJPYNXMMJRL-MRVPVSSYSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000575437615 387109068 /nfs/dbraw/zinc/10/90/68/387109068.db2.gz KIMYJPYNXMMJRL-QMMMGPOBSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1ccc(Cl)cc1Cl ZINC000575437626 387109831 /nfs/dbraw/zinc/10/98/31/387109831.db2.gz KQLQYZANYCANJT-QMMMGPOBSA-N 1 0 240.080 3.648 10 0 BHAERO CC(C)(C)c1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437722 387110756 /nfs/dbraw/zinc/11/07/56/387110756.db2.gz QGQLAAGDROCVTR-LLVKDONJSA-N 1 0 227.298 3.639 10 0 BHAERO [NH3+][C@H](CC(F)F)c1cccc(Cl)c1Cl ZINC000575437800 387110980 /nfs/dbraw/zinc/11/09/80/387110980.db2.gz UXMMFRYFAVFDSX-SSDOTTSWSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1cccc(Cl)c1Cl ZINC000575437802 387111455 /nfs/dbraw/zinc/11/14/55/387111455.db2.gz UXMMFRYFAVFDSX-ZETCQYMHSA-N 1 0 240.080 3.648 10 0 BHAERO [NH3+][C@H](CC(F)F)c1c(Cl)cccc1Cl ZINC000575437818 387111280 /nfs/dbraw/zinc/11/12/80/387111280.db2.gz VNTBFPARKRBDTL-SSDOTTSWSA-N 1 0 240.080 3.648 10 0 BHAERO CC(C)(C)Sc1ccccc1[C@@H]([NH3+])CCF ZINC000575438232 387112781 /nfs/dbraw/zinc/11/27/81/387112781.db2.gz HVUUFJGFIOMRHN-NSHDSACASA-N 1 0 241.375 3.937 10 0 BHAERO Cc1ccc([C@H]([NH3+])CCF)c2ccccc12 ZINC000575438273 387117040 /nfs/dbraw/zinc/11/70/40/387117040.db2.gz GRCLDBMTRCURGK-CQSZACIVSA-N 1 0 217.287 3.508 10 0 BHAERO Cc1ccc([C@@H]([NH3+])CCF)c2ccccc12 ZINC000575438274 387116560 /nfs/dbraw/zinc/11/65/60/387116560.db2.gz GRCLDBMTRCURGK-AWEZNQCLSA-N 1 0 217.287 3.508 10 0 BHAERO CC(C)(C)Sc1ccccc1[C@H]([NH3+])CCF ZINC000575438286 387129143 /nfs/dbraw/zinc/12/91/43/387129143.db2.gz HVUUFJGFIOMRHN-LLVKDONJSA-N 1 0 241.375 3.937 10 0 BHAERO CC(C)(C)c1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575439228 387121723 /nfs/dbraw/zinc/12/17/23/387121723.db2.gz QGQLAAGDROCVTR-NSHDSACASA-N 1 0 227.298 3.639 10 0 BHAERO [NH3+][C@@H](CC(F)F)c1c(Cl)cccc1Cl ZINC000575439743 387125402 /nfs/dbraw/zinc/12/54/02/387125402.db2.gz VNTBFPARKRBDTL-ZETCQYMHSA-N 1 0 240.080 3.648 10 0 BHAERO Cc1c(C)c(C)c([C@H]([NH3+])CCF)c(C)c1C ZINC000575439755 388630203 /nfs/dbraw/zinc/63/02/03/388630203.db2.gz VSBPIIQVHCIYMT-CYBMUJFWSA-N 1 0 223.335 3.588 10 0 BHAERO Cc1c(C)c(C)c([C@@H]([NH3+])CCF)c(C)c1C ZINC000575439758 387125354 /nfs/dbraw/zinc/12/53/54/387125354.db2.gz VSBPIIQVHCIYMT-ZDUSSCGKSA-N 1 0 223.335 3.588 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cc2cscc2s1 ZINC000575470447 397954641 /nfs/dbraw/zinc/95/46/41/397954641.db2.gz IYCPHGFWEROCPO-SGJFDWMWSA-N 1 0 209.339 3.539 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cc2cscc2s1 ZINC000575470448 388847218 /nfs/dbraw/zinc/84/72/18/388847218.db2.gz IYCPHGFWEROCPO-UFUPEUMYSA-N 1 0 209.339 3.539 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2cscc2s1 ZINC000575491529 387277072 /nfs/dbraw/zinc/27/70/72/387277072.db2.gz FHZQWAFGXLBHGB-JTQLQIEISA-N 1 0 211.355 3.619 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2cscc2s1 ZINC000575491539 388930006 /nfs/dbraw/zinc/93/00/06/388930006.db2.gz FHZQWAFGXLBHGB-SNVBAGLBSA-N 1 0 211.355 3.619 10 0 BHAERO [NH3+]Cc1sccc1-c1csc(Cl)c1 ZINC000575496905 387327057 /nfs/dbraw/zinc/32/70/57/387327057.db2.gz CBWVTIGEZZNZPX-UHFFFAOYSA-N 1 0 229.757 3.589 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1ccsc1Br ZINC000575498420 387341062 /nfs/dbraw/zinc/34/10/62/387341062.db2.gz DNTJQVXHYPXFDV-SSDOTTSWSA-N 1 0 248.189 3.557 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccsc1Br ZINC000575498421 387340828 /nfs/dbraw/zinc/34/08/28/387340828.db2.gz DNTJQVXHYPXFDV-ZETCQYMHSA-N 1 0 248.189 3.557 10 0 BHAERO C[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1 ZINC000575503312 387358032 /nfs/dbraw/zinc/35/80/32/387358032.db2.gz LGBAABDIPIKTDI-CXAGYDPISA-N 1 0 237.346 3.505 10 0 BHAERO C[C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575503313 387357823 /nfs/dbraw/zinc/35/78/23/387357823.db2.gz LGBAABDIPIKTDI-DYVFJYSZSA-N 1 0 237.346 3.505 10 0 BHAERO C[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575503314 387357180 /nfs/dbraw/zinc/35/71/80/387357180.db2.gz LGBAABDIPIKTDI-GUYCJALGSA-N 1 0 237.346 3.505 10 0 BHAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1 ZINC000575503315 387357818 /nfs/dbraw/zinc/35/78/18/387357818.db2.gz LGBAABDIPIKTDI-SUMWQHHRSA-N 1 0 237.346 3.505 10 0 BHAERO [NH3+]C1(C/C=C/Cl)CCCCCCC1 ZINC000575523453 388358959 /nfs/dbraw/zinc/35/89/59/388358959.db2.gz KTHZSCIHSBZTLH-UXBLZVDNSA-N 1 0 201.741 3.571 10 0 BHAERO C/C(=C/Cl)CC1([NH3+])CCCCCC1 ZINC000575527012 387530546 /nfs/dbraw/zinc/53/05/46/387530546.db2.gz APMWKXDJOIWSJN-KTKRTIGZSA-N 1 0 201.741 3.571 10 0 BHAERO C/C(=C\Cl)CC1([NH3+])CCCCCC1 ZINC000575527013 387530506 /nfs/dbraw/zinc/53/05/06/387530506.db2.gz APMWKXDJOIWSJN-MDZDMXLPSA-N 1 0 201.741 3.571 10 0 BHAERO C[C@@H]1CCC[C@@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528941 387539868 /nfs/dbraw/zinc/53/98/68/387539868.db2.gz RHAARTOPAGAXNV-PSASIEDQSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@@H]1CCC[C@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528951 387540542 /nfs/dbraw/zinc/54/05/42/387540542.db2.gz RHAARTOPAGAXNV-SCZZXKLOSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@H]1CCC[C@@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528952 387541025 /nfs/dbraw/zinc/54/10/25/387541025.db2.gz RHAARTOPAGAXNV-WCBMZHEXSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@H]1CCC[C@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528954 387539796 /nfs/dbraw/zinc/53/97/96/387539796.db2.gz RHAARTOPAGAXNV-WPRPVWTQSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@@H]1CCCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575528966 387540159 /nfs/dbraw/zinc/54/01/59/387540159.db2.gz RSSIZAOLRXXMQZ-PSASIEDQSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@@H]1CCCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575528968 387540900 /nfs/dbraw/zinc/54/09/00/387540900.db2.gz RSSIZAOLRXXMQZ-SCZZXKLOSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@H]1CCCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575528969 387541223 /nfs/dbraw/zinc/54/12/23/387541223.db2.gz RSSIZAOLRXXMQZ-WCBMZHEXSA-N 1 0 222.159 3.603 10 0 BHAERO C[C@H]1CCCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575528971 387540137 /nfs/dbraw/zinc/54/01/37/387540137.db2.gz RSSIZAOLRXXMQZ-WPRPVWTQSA-N 1 0 222.159 3.603 10 0 BHAERO CC1CCC([NH3+])(CC=C(Cl)Cl)CC1 ZINC000575529217 387540695 /nfs/dbraw/zinc/54/06/95/387540695.db2.gz UEUDJWUWACLZPX-UHFFFAOYSA-N 1 0 222.159 3.603 10 0 BHAERO [NH3+]C1(CC=C(Cl)Cl)CCCCCC1 ZINC000575529218 385851632 /nfs/dbraw/zinc/85/16/32/385851632.db2.gz UHZIBZYNKZHANA-UHFFFAOYSA-N 1 0 222.159 3.747 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575563010 387703991 /nfs/dbraw/zinc/70/39/91/387703991.db2.gz JAKYRNYLUCHTOM-PBKGFPTLSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575563016 387704546 /nfs/dbraw/zinc/70/45/46/387704546.db2.gz JAKYRNYLUCHTOM-VMZHVLLKSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000575563597 387706926 /nfs/dbraw/zinc/70/69/26/387706926.db2.gz PJRLHLAFISIXTM-PBKGFPTLSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000575563598 387707089 /nfs/dbraw/zinc/70/70/89/387707089.db2.gz PJRLHLAFISIXTM-VMZHVLLKSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575566001 386083416 /nfs/dbraw/zinc/08/34/16/386083416.db2.gz FVDZWQWPNFLCDK-PBKGFPTLSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575566003 387734642 /nfs/dbraw/zinc/73/46/42/387734642.db2.gz FVDZWQWPNFLCDK-VMZHVLLKSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000575566074 387733831 /nfs/dbraw/zinc/73/38/31/387733831.db2.gz GJCSRATXXBJJKH-SZKDQXIBSA-N 1 0 222.140 3.631 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000575566079 387733098 /nfs/dbraw/zinc/73/30/98/387733098.db2.gz GJCSRATXXBJJKH-YRFDSLTASA-N 1 0 222.140 3.631 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575567060 387733370 /nfs/dbraw/zinc/73/33/70/387733370.db2.gz IZDVHXHCDYYWRY-HDMKULJXSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575567061 386084735 /nfs/dbraw/zinc/08/47/35/386084735.db2.gz IZDVHXHCDYYWRY-LXOKAJLYSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1cc2sccc2s1 ZINC000575567804 387736167 /nfs/dbraw/zinc/73/61/67/387736167.db2.gz NQUSNFBQIVZDFV-AIYRYJHASA-N 1 0 209.339 3.539 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1cc2sccc2s1 ZINC000575567807 386096994 /nfs/dbraw/zinc/09/69/94/386096994.db2.gz NQUSNFBQIVZDFV-TYWZFMJISA-N 1 0 209.339 3.539 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575568131 387726638 /nfs/dbraw/zinc/72/66/38/387726638.db2.gz ONWHJMDPHUOAHU-HDMKULJXSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575568132 386092563 /nfs/dbraw/zinc/09/25/63/386092563.db2.gz ONWHJMDPHUOAHU-LXOKAJLYSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000575568257 387728074 /nfs/dbraw/zinc/72/80/74/387728074.db2.gz PMCDEBNNNIQTOH-PBKGFPTLSA-N 1 0 216.111 3.569 10 0 BHAERO C/C=C/[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000575568260 386095800 /nfs/dbraw/zinc/09/58/00/386095800.db2.gz PMCDEBNNNIQTOH-VMZHVLLKSA-N 1 0 216.111 3.569 10 0 BHAERO CC(C)(C)[C@@](C)([NH3+])c1ccc(Cl)s1 ZINC000575575032 386976960 /nfs/dbraw/zinc/97/69/60/386976960.db2.gz CDEZITGRSASJRU-JTQLQIEISA-N 1 0 217.765 3.622 10 0 BHAERO CC(C)(C)[C@](C)([NH3+])c1ccc(Cl)s1 ZINC000575575034 386975963 /nfs/dbraw/zinc/97/59/63/386975963.db2.gz CDEZITGRSASJRU-SNVBAGLBSA-N 1 0 217.765 3.622 10 0 BHAERO CC(C)(C)[C@@](C)([NH3+])c1sccc1Cl ZINC000575576175 387019388 /nfs/dbraw/zinc/01/93/88/387019388.db2.gz LEFFRHQEBOAXLQ-JTQLQIEISA-N 1 0 217.765 3.622 10 0 BHAERO CC(C)(C)[C@](C)([NH3+])c1sccc1Cl ZINC000575576177 387023124 /nfs/dbraw/zinc/02/31/24/387023124.db2.gz LEFFRHQEBOAXLQ-SNVBAGLBSA-N 1 0 217.765 3.622 10 0 BHAERO CC(C)(C)[C@@](C)([NH3+])c1ccsc1Cl ZINC000575577122 387028435 /nfs/dbraw/zinc/02/84/35/387028435.db2.gz BUXWKVSVYQWHSZ-JTQLQIEISA-N 1 0 217.765 3.622 10 0 BHAERO CC(C)(C)[C@](C)([NH3+])c1ccsc1Cl ZINC000575577123 386193256 /nfs/dbraw/zinc/19/32/56/386193256.db2.gz BUXWKVSVYQWHSZ-SNVBAGLBSA-N 1 0 217.765 3.622 10 0 BHAERO CC1(C)CCC(C)(C)C1[NH2+]Cc1ccccc1 ZINC000575593785 386365631 /nfs/dbraw/zinc/36/56/31/386365631.db2.gz PUUZNZZXOXOPBB-UHFFFAOYSA-N 1 0 231.383 3.991 10 0 BHAERO CCC(C)(C)[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000581411705 367451308 /nfs/dbraw/zinc/45/13/08/367451308.db2.gz OXGGXPJWYBMCAH-AVGNSLFASA-N 1 0 241.419 3.604 10 0 BHAERO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581411706 367451931 /nfs/dbraw/zinc/45/19/31/367451931.db2.gz OXGGXPJWYBMCAH-CRWXNKLISA-N 1 0 241.419 3.604 10 0 BHAERO CCC(C)(C)[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000581411707 367452096 /nfs/dbraw/zinc/45/20/96/367452096.db2.gz OXGGXPJWYBMCAH-UPJWGTAASA-N 1 0 241.419 3.604 10 0 BHAERO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581411708 367451050 /nfs/dbraw/zinc/45/10/50/367451050.db2.gz OXGGXPJWYBMCAH-XJFOESAGSA-N 1 0 241.419 3.604 10 0 BHAERO C[C@@]1([NH2+]Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000582739162 357377813 /nfs/dbraw/zinc/37/78/13/357377813.db2.gz STARQEOFZHPIPO-DLBZAZTESA-N 1 0 237.346 3.722 10 0 BHAERO c1ccc2c(c1)C=Cc1ccccc1C2[NH+]1CCC1 ZINC000584591821 358250520 /nfs/dbraw/zinc/25/05/20/358250520.db2.gz PKAXGWDUGPEASA-UHFFFAOYSA-N 1 0 247.341 3.966 10 0 BHAERO CC1(c2cc(Cl)ccc2C[NH2+]C2CC2)CC1 ZINC000584595136 358252672 /nfs/dbraw/zinc/25/26/72/358252672.db2.gz FHEBWPDNMGKVEM-UHFFFAOYSA-N 1 0 235.758 3.644 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C2CC2)cc1 ZINC000584595151 358252852 /nfs/dbraw/zinc/25/28/52/358252852.db2.gz GZBNIVYPQYTGAB-ZDUSSCGKSA-N 1 0 203.329 3.610 10 0 BHAERO Fc1ccc(C2CCCC2)c(C[NH2+]C2CC2)c1 ZINC000584595186 358252845 /nfs/dbraw/zinc/25/28/45/358252845.db2.gz MMURFTQLNIBQFK-UHFFFAOYSA-N 1 0 233.330 3.735 10 0 BHAERO CC1(c2cccc(Cl)c2C[NH2+]C2CC2)CC1 ZINC000584595198 358252719 /nfs/dbraw/zinc/25/27/19/358252719.db2.gz NWTHXVFNTQAPNJ-UHFFFAOYSA-N 1 0 235.758 3.644 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C(F)F)cc1F ZINC000584595200 358252532 /nfs/dbraw/zinc/25/25/32/358252532.db2.gz PDCZVIZVZFUFJV-JTQLQIEISA-N 1 0 231.261 3.809 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(C2CC2)c(F)c1 ZINC000584595249 358252840 /nfs/dbraw/zinc/25/28/40/358252840.db2.gz WQWZIKHNYXJMQP-ZDUSSCGKSA-N 1 0 221.319 3.749 10 0 BHAERO FC(F)(F)c1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000584595345 358252736 /nfs/dbraw/zinc/25/27/36/358252736.db2.gz DWMHRXMABUSHJH-UHFFFAOYSA-N 1 0 249.663 3.611 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(CC(F)(F)F)cc1 ZINC000584595366 358252481 /nfs/dbraw/zinc/25/24/81/358252481.db2.gz GXVNNVIYUUJPBC-NSHDSACASA-N 1 0 245.288 3.837 10 0 BHAERO Cc1ccc(C(C)(C)C)c(C[NH2+]C2CC2)c1 ZINC000584595389 358252768 /nfs/dbraw/zinc/25/27/68/358252768.db2.gz MDDPHLKBDVLCPQ-UHFFFAOYSA-N 1 0 217.356 3.545 10 0 BHAERO CCC1(c2ccc(C)cc2C[NH2+]C2CC2)CC1 ZINC000584595396 358252811 /nfs/dbraw/zinc/25/28/11/358252811.db2.gz NNJDUCGVZKWTDO-UHFFFAOYSA-N 1 0 229.367 3.689 10 0 BHAERO Cc1cc(C[NH2+]C2CC2)c(C2(C)CC2)cc1C ZINC000584595410 358252374 /nfs/dbraw/zinc/25/23/74/358252374.db2.gz OQZVQAVCNBUMGF-UHFFFAOYSA-N 1 0 229.367 3.607 10 0 BHAERO CCC1(c2cc(C)ccc2C[NH2+]C2CC2)CC1 ZINC000584595411 358253083 /nfs/dbraw/zinc/25/30/83/358253083.db2.gz PBUYUKJBLBPZGT-UHFFFAOYSA-N 1 0 229.367 3.689 10 0 BHAERO C[C@@H]([NH3+])c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000584595420 358253168 /nfs/dbraw/zinc/25/31/68/358253168.db2.gz PPYDUVPQBWWHOD-MRVPVSSYSA-N 1 0 231.261 3.546 10 0 BHAERO C[C@H]([NH3+])c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000584595422 358253266 /nfs/dbraw/zinc/25/32/66/358253266.db2.gz PPYDUVPQBWWHOD-QMMMGPOBSA-N 1 0 231.261 3.546 10 0 BHAERO c1ccc2c(c1)CC[C@H]1C[NH+]=Cc3cccc-2c31 ZINC000584596960 358111826 /nfs/dbraw/zinc/11/18/26/358111826.db2.gz RTALSTJNPVNRNL-AWEZNQCLSA-N 1 0 233.314 3.816 10 0 BHAERO c1ccc2c(c1)CC[C@@H]1C[NH+]=Cc3cccc-2c31 ZINC000584596966 358254637 /nfs/dbraw/zinc/25/46/37/358254637.db2.gz RTALSTJNPVNRNL-CQSZACIVSA-N 1 0 233.314 3.816 10 0 BHAERO Cc1cccc(C)c1O[C@H]1CCCC[C@H]1[NH+](C)C ZINC000584600289 358257103 /nfs/dbraw/zinc/25/71/03/358257103.db2.gz DDLQOYJKTVBOCR-CABCVRRESA-N 1 0 247.382 3.555 10 0 BHAERO C[C@@H]1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000584600718 358257740 /nfs/dbraw/zinc/25/77/40/358257740.db2.gz ZDGJWHNVBIUTEU-OLZOCXBDSA-N 1 0 209.377 3.735 10 0 BHAERO C[C@H]1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000584600719 358257640 /nfs/dbraw/zinc/25/76/40/358257640.db2.gz ZDGJWHNVBIUTEU-STQMWFEESA-N 1 0 209.377 3.735 10 0 BHAERO CCC[NH+](CCC)C[C@@H]1C[C@H]1c1ccccc1 ZINC000584602090 358259504 /nfs/dbraw/zinc/25/95/04/358259504.db2.gz OXXQWIANTXTQPS-HOTGVXAUSA-N 1 0 231.383 3.912 10 0 BHAERO CC1C(C)(C)P([NH+]2CCCC2)C1(C)C ZINC000584612947 358277011 /nfs/dbraw/zinc/27/70/11/358277011.db2.gz XZUXJHJPRKORMR-UHFFFAOYSA-N 1 0 213.305 3.686 10 0 BHAERO CC(C)[NH2+]CCCNc1cccc2ccccc21 ZINC000584614757 358279493 /nfs/dbraw/zinc/27/94/93/358279493.db2.gz BPFNHQIAFSSCCE-UHFFFAOYSA-N 1 0 242.366 3.640 10 0 BHAERO CCCC[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000584618197 358284402 /nfs/dbraw/zinc/28/44/02/358284402.db2.gz IIVIXVKGXZLKET-HNNXBMFYSA-N 1 0 231.383 3.838 10 0 BHAERO CCCC[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000584618199 358284122 /nfs/dbraw/zinc/28/41/22/358284122.db2.gz IIVIXVKGXZLKET-OAHLLOKOSA-N 1 0 231.383 3.838 10 0 BHAERO C(=C/[NH+]1CCCCC1)\c1c[nH]c2ccccc12 ZINC000584618237 358284362 /nfs/dbraw/zinc/28/43/62/358284362.db2.gz CARSRLACVBYVCY-DHZHZOJOSA-N 1 0 226.323 3.625 10 0 BHAERO CC(C)n1c([C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000584618445 358284457 /nfs/dbraw/zinc/28/44/57/358284457.db2.gz HJQZLSAVIZODCJ-AWEZNQCLSA-N 1 0 242.366 3.689 10 0 BHAERO CC(C)n1c([C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000584618446 358284129 /nfs/dbraw/zinc/28/41/29/358284129.db2.gz HJQZLSAVIZODCJ-CQSZACIVSA-N 1 0 242.366 3.689 10 0 BHAERO CCC[NH+](CCC)CCC1Cc2ccccc2C1 ZINC000584618459 358284033 /nfs/dbraw/zinc/28/40/33/358284033.db2.gz HUEMOJOUCOZAOC-UHFFFAOYSA-N 1 0 245.410 3.914 10 0 BHAERO C1=CC2=C3C1=CCC[C@H]3CC[NH2+][C@@H]2c1ccccc1 ZINC000584618479 358284138 /nfs/dbraw/zinc/28/41/38/358284138.db2.gz JNYVSSLQBJHHBX-KBXCAEBGSA-N 1 0 249.357 3.924 10 0 BHAERO C1=CC2=C3C1=CCC[C@@H]3CC[NH2+][C@@H]2c1ccccc1 ZINC000584618487 358284056 /nfs/dbraw/zinc/28/40/56/358284056.db2.gz JNYVSSLQBJHHBX-RDTXWAMCSA-N 1 0 249.357 3.924 10 0 BHAERO CCCC[N@H+](C)C[C@H]1Cc2ccccc2[C@H]1C ZINC000584618506 358284246 /nfs/dbraw/zinc/28/42/46/358284246.db2.gz KCRXIULQRVVJRI-DZGCQCFKSA-N 1 0 231.383 3.694 10 0 BHAERO CCCC[N@H+](C)C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000584618507 358284290 /nfs/dbraw/zinc/28/42/90/358284290.db2.gz KCRXIULQRVVJRI-HIFRSBDPSA-N 1 0 231.383 3.694 10 0 BHAERO CCCC[N@H+](C)C[C@H]1Cc2ccccc2[C@@H]1C ZINC000584618508 358284060 /nfs/dbraw/zinc/28/40/60/358284060.db2.gz KCRXIULQRVVJRI-UKRRQHHQSA-N 1 0 231.383 3.694 10 0 BHAERO CCCC[N@H+](C)C[C@@H]1Cc2ccccc2[C@H]1C ZINC000584618509 358284095 /nfs/dbraw/zinc/28/40/95/358284095.db2.gz KCRXIULQRVVJRI-ZFWWWQNUSA-N 1 0 231.383 3.694 10 0 BHAERO CCCC[N@H+](C)CCC1Cc2ccccc2C1 ZINC000584618919 358285384 /nfs/dbraw/zinc/28/53/84/358285384.db2.gz ZKTYQVZQDNLCGM-UHFFFAOYSA-N 1 0 231.383 3.523 10 0 BHAERO C[C@H]1C=Cc2ccc(F)cc2[C@]1(C)CC[NH+](C)C ZINC000584620394 358287228 /nfs/dbraw/zinc/28/72/28/358287228.db2.gz GXKLPJVFNITVCL-BLLLJJGKSA-N 1 0 247.357 3.698 10 0 BHAERO C[C@H]1C=Cc2ccc(F)cc2[C@@]1(C)CC[NH+](C)C ZINC000584620395 358287331 /nfs/dbraw/zinc/28/73/31/358287331.db2.gz GXKLPJVFNITVCL-LRDDRELGSA-N 1 0 247.357 3.698 10 0 BHAERO C[C@@H]1C=Cc2ccc(F)cc2[C@]1(C)CC[NH+](C)C ZINC000584620396 358287583 /nfs/dbraw/zinc/28/75/83/358287583.db2.gz GXKLPJVFNITVCL-MLGOLLRUSA-N 1 0 247.357 3.698 10 0 BHAERO C[C@@H]1C=Cc2ccc(F)cc2[C@@]1(C)CC[NH+](C)C ZINC000584620397 358287727 /nfs/dbraw/zinc/28/77/27/358287727.db2.gz GXKLPJVFNITVCL-WBMJQRKESA-N 1 0 247.357 3.698 10 0 BHAERO C[C@@H]([NH3+])c1ccc(C(F)(F)F)c2ccccc21 ZINC000584620483 358287646 /nfs/dbraw/zinc/28/76/46/358287646.db2.gz KMXVGLLLLTZXSU-MRVPVSSYSA-N 1 0 239.240 3.878 10 0 BHAERO CCCCC[C@@]12CC[NH2+][C@@H](Cc3ccccc31)C2 ZINC000584624235 358292342 /nfs/dbraw/zinc/29/23/42/358292342.db2.gz KSVMESLRDAPBMW-RDJZCZTQSA-N 1 0 243.394 3.813 10 0 BHAERO [NH3+]Cc1oc2ccccc2c1-c1ccccc1 ZINC000584624886 398079577 /nfs/dbraw/zinc/07/95/77/398079577.db2.gz JIKYKPLYBUXNLV-UHFFFAOYSA-N 1 0 223.275 3.559 10 0 BHAERO COc1ccc(C2=C[N@@H+]3CCCC[C@H]3CC2)cc1 ZINC000584625196 358293656 /nfs/dbraw/zinc/29/36/56/358293656.db2.gz IGASJCFVYKYYAG-HNNXBMFYSA-N 1 0 243.350 3.684 10 0 BHAERO COc1ccc(C2=C[N@@H+]3CCCC[C@@H]3CC2)cc1 ZINC000584625197 358293715 /nfs/dbraw/zinc/29/37/15/358293715.db2.gz IGASJCFVYKYYAG-OAHLLOKOSA-N 1 0 243.350 3.684 10 0 BHAERO CC(C)[NH2+][C@@H](Cc1ccccc1)c1ccco1 ZINC000584625363 358294096 /nfs/dbraw/zinc/29/40/96/358294096.db2.gz MCMVHPOMULLPKQ-AWEZNQCLSA-N 1 0 229.323 3.561 10 0 BHAERO CC(C)[NH2+][C@H](Cc1ccccc1)c1ccco1 ZINC000584625365 358294299 /nfs/dbraw/zinc/29/42/99/358294299.db2.gz MCMVHPOMULLPKQ-CQSZACIVSA-N 1 0 229.323 3.561 10 0 BHAERO CC1(C)C[NH+]=C(Cc2ccc(Cl)cc2)C1 ZINC000584625731 358294817 /nfs/dbraw/zinc/29/48/17/358294817.db2.gz SDQFRZCJMKLJOS-UHFFFAOYSA-N 1 0 221.731 3.753 10 0 BHAERO COc1ccccc1C1=C[N@@H+]2CCCC[C@H]2CC1 ZINC000584625742 358294958 /nfs/dbraw/zinc/29/49/58/358294958.db2.gz SYJPKNBETWKTPJ-AWEZNQCLSA-N 1 0 243.350 3.684 10 0 BHAERO COc1ccccc1C1=C[N@@H+]2CCCC[C@@H]2CC1 ZINC000584625743 358294926 /nfs/dbraw/zinc/29/49/26/358294926.db2.gz SYJPKNBETWKTPJ-CQSZACIVSA-N 1 0 243.350 3.684 10 0 BHAERO CC[Si](CC)(CC)CCC(C)(C)[NH3+] ZINC000584625950 358295339 /nfs/dbraw/zinc/29/53/39/358295339.db2.gz OXLIIYVBBNEVBG-UHFFFAOYSA-N 1 0 201.430 3.622 10 0 BHAERO Cc1cc2ccc(C[NH2+]C(C)C)nc2cc1Cl ZINC000584630211 358299530 /nfs/dbraw/zinc/29/95/30/358299530.db2.gz OKHBDXBNKDISEG-UHFFFAOYSA-N 1 0 248.757 3.695 10 0 BHAERO Cc1ccc2nc(C[NH2+]C(C)C)ccc2c1Cl ZINC000584630403 358299732 /nfs/dbraw/zinc/29/97/32/358299732.db2.gz VIPUJAMWLKFLLX-UHFFFAOYSA-N 1 0 248.757 3.695 10 0 BHAERO CCCC[N@H+]1CCc2ccc(O)cc2[C@H](C)CC1 ZINC000584630956 358251087 /nfs/dbraw/zinc/25/10/87/358251087.db2.gz FHFOKKBOVZXJMB-CYBMUJFWSA-N 1 0 247.382 3.544 10 0 BHAERO CCCC[N@H+]1CCc2ccc(O)cc2[C@@H](C)CC1 ZINC000584630957 488017729 /nfs/dbraw/zinc/01/77/29/488017729.db2.gz FHFOKKBOVZXJMB-ZDUSSCGKSA-N 1 0 247.382 3.544 10 0 BHAERO CC1([NH+]2CC3CCC(CC3)C2)CCCCC1 ZINC000584631218 358282714 /nfs/dbraw/zinc/28/27/14/358282714.db2.gz ZHAGCFCCDKVVJY-UHFFFAOYSA-N 1 0 221.388 3.831 10 0 BHAERO CCN(CC)C1=[NH+]C=CC=C(c2ccccc2)C1 ZINC000584632677 358315239 /nfs/dbraw/zinc/31/52/39/358315239.db2.gz WFLTZKXLPFCDNX-UHFFFAOYSA-N 1 0 240.350 3.728 10 0 BHAERO C/C=C/[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@@H+]2C ZINC000584640542 358326813 /nfs/dbraw/zinc/32/68/13/358326813.db2.gz YNBLYUVSJNIOLC-FEYQTPARSA-N 1 0 241.378 3.829 10 0 BHAERO C[N@@H+]1CCC(C(C)(C)C)=C[C@@H]1Cc1ccccc1 ZINC000584642435 358327765 /nfs/dbraw/zinc/32/77/65/358327765.db2.gz VLGDJNWDAZLIEN-INIZCTEOSA-N 1 0 243.394 3.906 10 0 BHAERO C[N@@H+]1CCC(C(C)(C)C)=C[C@H]1Cc1ccccc1 ZINC000584642436 358327939 /nfs/dbraw/zinc/32/79/39/358327939.db2.gz VLGDJNWDAZLIEN-MRXNPFEDSA-N 1 0 243.394 3.906 10 0 BHAERO C[N@@H+]1CC=C(C(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000584642447 358327876 /nfs/dbraw/zinc/32/78/76/358327876.db2.gz XFESNWWRDBSXQM-INIZCTEOSA-N 1 0 243.394 3.906 10 0 BHAERO C[N@@H+]1CC=C(C(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000584642449 358327828 /nfs/dbraw/zinc/32/78/28/358327828.db2.gz XFESNWWRDBSXQM-MRXNPFEDSA-N 1 0 243.394 3.906 10 0 BHAERO c1ccc2c(c1)CCCC[C@H]2[C@@H]1CCCC[NH2+]1 ZINC000584647686 398080777 /nfs/dbraw/zinc/08/07/77/398080777.db2.gz CRVQPNZQJSJHNF-CVEARBPZSA-N 1 0 229.367 3.639 10 0 BHAERO c1ccc2c(c1)CCCC[C@@H]2[C@@H]1CCCC[NH2+]1 ZINC000584647687 398080905 /nfs/dbraw/zinc/08/09/05/398080905.db2.gz CRVQPNZQJSJHNF-HOTGVXAUSA-N 1 0 229.367 3.639 10 0 BHAERO c1ccc2c(c1)CCCC[C@H]2[C@H]1CCCC[NH2+]1 ZINC000584647689 398080848 /nfs/dbraw/zinc/08/08/48/398080848.db2.gz CRVQPNZQJSJHNF-HZPDHXFCSA-N 1 0 229.367 3.639 10 0 BHAERO c1ccc2c(c1)CCCC[C@@H]2[C@H]1CCCC[NH2+]1 ZINC000584647691 398080856 /nfs/dbraw/zinc/08/08/56/398080856.db2.gz CRVQPNZQJSJHNF-JKSUJKDBSA-N 1 0 229.367 3.639 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@H]([C@H]1CCC[NH2+]1)CC2 ZINC000584648919 358303279 /nfs/dbraw/zinc/30/32/79/358303279.db2.gz UKRJRQKABRGGMJ-GDBMZVCRSA-N 1 0 243.394 3.766 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@@H]([C@H]1CCC[NH2+]1)CC2 ZINC000584648921 358303589 /nfs/dbraw/zinc/30/35/89/358303589.db2.gz UKRJRQKABRGGMJ-GOEBONIOSA-N 1 0 243.394 3.766 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@@H]([C@@H]1CCC[NH2+]1)CC2 ZINC000584648922 358303363 /nfs/dbraw/zinc/30/33/63/358303363.db2.gz UKRJRQKABRGGMJ-HOCLYGCPSA-N 1 0 243.394 3.766 10 0 BHAERO CC(C)(C)c1ccc2c(c1)[C@H]([C@@H]1CCC[NH2+]1)CC2 ZINC000584648923 358303567 /nfs/dbraw/zinc/30/35/67/358303567.db2.gz UKRJRQKABRGGMJ-ZBFHGGJFSA-N 1 0 243.394 3.766 10 0 BHAERO CC1=C(C)[C@H](Cc2ccc(Cl)cc2)[N@H+](C)CC1 ZINC000584650120 490177931 /nfs/dbraw/zinc/17/79/31/490177931.db2.gz DYBNQQJFXHISDK-HNNXBMFYSA-N 1 0 249.785 3.923 10 0 BHAERO CC1=C(C)[C@@H](Cc2ccc(Cl)cc2)[N@H+](C)CC1 ZINC000584650121 490177790 /nfs/dbraw/zinc/17/77/90/490177790.db2.gz DYBNQQJFXHISDK-OAHLLOKOSA-N 1 0 249.785 3.923 10 0 BHAERO CCCOc1cccc([C@@]2(CCC)CC[NH2+]C2)c1 ZINC000584650195 490177857 /nfs/dbraw/zinc/17/78/57/490177857.db2.gz OCQGUFAQENBZRX-INIZCTEOSA-N 1 0 247.382 3.507 10 0 BHAERO CCCOc1cccc([C@]2(CCC)CC[NH2+]C2)c1 ZINC000584650196 490177950 /nfs/dbraw/zinc/17/79/50/490177950.db2.gz OCQGUFAQENBZRX-MRXNPFEDSA-N 1 0 247.382 3.507 10 0 BHAERO c1ccc([C@@H]2CCC[C@H]3CCC[NH+]=C32)cc1 ZINC000584650854 358305784 /nfs/dbraw/zinc/30/57/84/358305784.db2.gz CJRDWRYJPVRWDT-KBPBESRZSA-N 1 0 213.324 3.805 10 0 BHAERO c1ccc([C@@H]2CCC[C@@H]3CCC[NH+]=C32)cc1 ZINC000584650861 358305796 /nfs/dbraw/zinc/30/57/96/358305796.db2.gz CJRDWRYJPVRWDT-KGLIPLIRSA-N 1 0 213.324 3.805 10 0 BHAERO c1ccc([C@H]2CCC[C@H]3CCC[NH+]=C23)cc1 ZINC000584650863 358305574 /nfs/dbraw/zinc/30/55/74/358305574.db2.gz CJRDWRYJPVRWDT-UONOGXRCSA-N 1 0 213.324 3.805 10 0 BHAERO c1ccc([C@H]2CCC[C@@H]3CCC[NH+]=C32)cc1 ZINC000584650865 358305604 /nfs/dbraw/zinc/30/56/04/358305604.db2.gz CJRDWRYJPVRWDT-ZIAGYGMSSA-N 1 0 213.324 3.805 10 0 BHAERO CN1Cc2cccc3[nH]cc(c32)[C@@H]1c1ccccc1 ZINC000584651332 358306152 /nfs/dbraw/zinc/30/61/52/358306152.db2.gz WYZDVZVLHQCIEZ-KRWDZBQOSA-N 1 0 248.329 3.703 10 0 BHAERO CN1Cc2cccc3[nH]cc(c32)[C@H]1c1ccccc1 ZINC000584651333 358306175 /nfs/dbraw/zinc/30/61/75/358306175.db2.gz WYZDVZVLHQCIEZ-QGZVFWFLSA-N 1 0 248.329 3.703 10 0 BHAERO Cc1ccc([C@@H]2C[N@@H+](C)Cc3sccc32)cc1 ZINC000584651614 358306217 /nfs/dbraw/zinc/30/62/17/358306217.db2.gz CTCIGXQQSRUTNY-AWEZNQCLSA-N 1 0 243.375 3.634 10 0 BHAERO Cc1ccc([C@H]2C[N@@H+](C)Cc3sccc32)cc1 ZINC000584651615 358306479 /nfs/dbraw/zinc/30/64/79/358306479.db2.gz CTCIGXQQSRUTNY-CQSZACIVSA-N 1 0 243.375 3.634 10 0 BHAERO CCC[C@H](c1cccc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000584652229 358307038 /nfs/dbraw/zinc/30/70/38/358307038.db2.gz UCESPXPNQAZZTA-GDBMZVCRSA-N 1 0 247.382 3.531 10 0 BHAERO CCC[C@H](c1cccc(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000584652234 358307110 /nfs/dbraw/zinc/30/71/10/358307110.db2.gz UCESPXPNQAZZTA-GOEBONIOSA-N 1 0 247.382 3.531 10 0 BHAERO CCC[C@@H](c1cccc(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000584652238 358307146 /nfs/dbraw/zinc/30/71/46/358307146.db2.gz UCESPXPNQAZZTA-HOCLYGCPSA-N 1 0 247.382 3.531 10 0 BHAERO CCC[C@@H](c1cccc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000584652239 358306820 /nfs/dbraw/zinc/30/68/20/358306820.db2.gz UCESPXPNQAZZTA-ZBFHGGJFSA-N 1 0 247.382 3.531 10 0 BHAERO C[NH+]1CCC2(CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000584652345 358307666 /nfs/dbraw/zinc/30/76/66/358307666.db2.gz GVIQOFKVLFYXSV-KBPBESRZSA-N 1 0 221.388 3.689 10 0 BHAERO C[NH+]1CCC2(CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000584652349 358307684 /nfs/dbraw/zinc/30/76/84/358307684.db2.gz GVIQOFKVLFYXSV-KGLIPLIRSA-N 1 0 221.388 3.689 10 0 BHAERO C[NH+]1CCC2(CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000584652351 358307623 /nfs/dbraw/zinc/30/76/23/358307623.db2.gz GVIQOFKVLFYXSV-UONOGXRCSA-N 1 0 221.388 3.689 10 0 BHAERO C[NH+]1CCC2(CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000584652353 358307820 /nfs/dbraw/zinc/30/78/20/358307820.db2.gz GVIQOFKVLFYXSV-ZIAGYGMSSA-N 1 0 221.388 3.689 10 0 BHAERO C[n+]1c2ccccc2sc1CC1CCCCC1 ZINC000584657600 358309369 /nfs/dbraw/zinc/30/93/69/358309369.db2.gz SVQCBESOMDZSHE-UHFFFAOYSA-N 1 0 246.399 3.849 10 0 BHAERO Cc1cccc(CCCC[NH3+])c1-c1ccccc1 ZINC000584661019 358311963 /nfs/dbraw/zinc/31/19/63/358311963.db2.gz JWHVICVDVUVMOW-UHFFFAOYSA-N 1 0 239.362 3.943 10 0 BHAERO Nc1ncc(C2CCCCC2)cc1C(F)(F)F ZINC000584881131 343082019 /nfs/dbraw/zinc/08/20/19/343082019.db2.gz OMCUJWADRXMRMJ-UHFFFAOYSA-N 1 0 244.260 3.730 10 0 BHAERO CCc1cccc2c(CC[C@@H](C)[NH3+])cn(CC)c21 ZINC000584882582 343084999 /nfs/dbraw/zinc/08/49/99/343084999.db2.gz POTPFOWXSKPUJY-GFCCVEGCSA-N 1 0 244.382 3.503 10 0 BHAERO CCc1cccc2c(CC[C@H](C)[NH3+])cn(CC)c21 ZINC000584882588 343085132 /nfs/dbraw/zinc/08/51/32/343085132.db2.gz POTPFOWXSKPUJY-LBPRGKRZSA-N 1 0 244.382 3.503 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883743 343087122 /nfs/dbraw/zinc/08/71/22/343087122.db2.gz CEXZLMKTJLHIQH-UHFFFAOYSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCc1ccsc12 ZINC000584883745 343087067 /nfs/dbraw/zinc/08/70/67/343087067.db2.gz CQEDTAZAILFLSH-GHMZBOCLSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000584883746 343087158 /nfs/dbraw/zinc/08/71/58/343087158.db2.gz CQEDTAZAILFLSH-GNXNZQSNSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CCc1ccsc12 ZINC000584883747 343087163 /nfs/dbraw/zinc/08/71/63/343087163.db2.gz CQEDTAZAILFLSH-QWRGUYRKSA-N 1 0 235.396 3.545 10 0 BHAERO CC1CCC2(CC1)[NH2+][C@@H](C)Cc1ccsc12 ZINC000584883765 343086935 /nfs/dbraw/zinc/08/69/35/343086935.db2.gz GDTJBPXKPQSKOV-CVZZAPKMSA-N 1 0 235.396 3.688 10 0 BHAERO CC1CCC2(CC1)[NH2+][C@H](C)Cc1ccsc12 ZINC000584883766 343087103 /nfs/dbraw/zinc/08/71/03/343087103.db2.gz GDTJBPXKPQSKOV-IQLKVPPVSA-N 1 0 235.396 3.688 10 0 BHAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+][C@H](C)Cc1ccsc12 ZINC000584883884 343086861 /nfs/dbraw/zinc/08/68/61/343086861.db2.gz VMZXHKSLNYDBNZ-IJLUTSLNSA-N 1 0 249.423 3.934 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+][C@H](C)Cc1ccsc12 ZINC000584883885 343086797 /nfs/dbraw/zinc/08/67/97/343086797.db2.gz VMZXHKSLNYDBNZ-NWJSVONSSA-N 1 0 249.423 3.934 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+][C@@H](C)Cc1ccsc12 ZINC000584883886 343086954 /nfs/dbraw/zinc/08/69/54/343086954.db2.gz VMZXHKSLNYDBNZ-OXIQGZBJSA-N 1 0 249.423 3.934 10 0 BHAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+][C@@H](C)Cc1ccsc12 ZINC000584883887 343086812 /nfs/dbraw/zinc/08/68/12/343086812.db2.gz VMZXHKSLNYDBNZ-UTUOFQBUSA-N 1 0 249.423 3.934 10 0 BHAERO CC1(C)CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883912 343087333 /nfs/dbraw/zinc/08/73/33/343087333.db2.gz XNVFJKFHGMIEDT-UHFFFAOYSA-N 1 0 235.396 3.689 10 0 BHAERO CC(C)C1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883917 343087417 /nfs/dbraw/zinc/08/74/17/343087417.db2.gz YRDPYFHDIBPQHB-UHFFFAOYSA-N 1 0 249.423 3.935 10 0 BHAERO [NH3+][C@H](C[C@@H](CCF)C(F)(F)F)c1ccccc1 ZINC000606302905 351556634 /nfs/dbraw/zinc/55/66/34/351556634.db2.gz AZVACDLSNUCOAO-GHMZBOCLSA-N 1 0 249.251 3.615 10 0 BHAERO [NH3+][C@@H](C[C@@H](CCF)C(F)(F)F)c1ccccc1 ZINC000606302908 353857854 /nfs/dbraw/zinc/85/78/54/353857854.db2.gz AZVACDLSNUCOAO-MNOVXSKESA-N 1 0 249.251 3.615 10 0 BHAERO [NH3+][C@@H](C[C@H](CCF)C(F)(F)F)c1ccccc1 ZINC000606302909 351556677 /nfs/dbraw/zinc/55/66/77/351556677.db2.gz AZVACDLSNUCOAO-QWRGUYRKSA-N 1 0 249.251 3.615 10 0 BHAERO [NH3+][C@H](C[C@H](CCF)C(F)(F)F)c1ccccc1 ZINC000606302910 351556833 /nfs/dbraw/zinc/55/68/33/351556833.db2.gz AZVACDLSNUCOAO-WDEREUQCSA-N 1 0 249.251 3.615 10 0 BHAERO C[C@@H]([NH2+]CCCCC1CC1)c1ccccc1 ZINC000616577679 349117782 /nfs/dbraw/zinc/11/77/82/349117782.db2.gz KNTFHERLAWBHAP-CYBMUJFWSA-N 1 0 217.356 3.918 10 0 BHAERO C[C@H]([NH2+]CCCCC1CC1)c1ccccc1 ZINC000616577688 349117879 /nfs/dbraw/zinc/11/78/79/349117879.db2.gz KNTFHERLAWBHAP-ZDUSSCGKSA-N 1 0 217.356 3.918 10 0 BHAERO Cc1nc2ccccc2n1CC1(F)CCCC1 ZINC000616580823 349260423 /nfs/dbraw/zinc/26/04/23/349260423.db2.gz QFGIFNYBEMSSEE-UHFFFAOYSA-N 1 0 232.302 3.627 10 0 BHAERO CC[N@@H+]1CCc2ccccc2[C@H]1C(C)(C)C ZINC000616587491 349431848 /nfs/dbraw/zinc/43/18/48/349431848.db2.gz YKEVJAXYKXLQJQ-AWEZNQCLSA-N 1 0 217.356 3.652 10 0 BHAERO CC(C)(C)N1CCc2ccccc2[C@@H]1C(F)F ZINC000616588473 349495303 /nfs/dbraw/zinc/49/53/03/349495303.db2.gz RZHWVNFLQDVYDG-GFCCVEGCSA-N 1 0 239.309 3.649 10 0 BHAERO CC[N@@H+]1CCc2ccccc2[C@@H]1C(C)(C)C ZINC000616589357 349558817 /nfs/dbraw/zinc/55/88/17/349558817.db2.gz YKEVJAXYKXLQJQ-CQSZACIVSA-N 1 0 217.356 3.652 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(N)cc2)CC1 ZINC000616600394 350779600 /nfs/dbraw/zinc/77/96/00/350779600.db2.gz DNWYEMRVUHVENA-CYBMUJFWSA-N 1 0 246.398 3.637 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616600504 350780373 /nfs/dbraw/zinc/78/03/73/350780373.db2.gz BLNNJMWRWOMSLE-ZDUSSCGKSA-N 1 0 235.346 3.804 10 0 BHAERO CNc1ccc([C@H]2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000616601100 350781088 /nfs/dbraw/zinc/78/10/88/350781088.db2.gz JMKDHRZWLPDUTB-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO C[N@@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616601289 350782495 /nfs/dbraw/zinc/78/24/95/350782495.db2.gz LEUAZGSEMPDPFB-NSHDSACASA-N 1 0 223.747 3.539 10 0 BHAERO C[N@@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616601699 350786819 /nfs/dbraw/zinc/78/68/19/350786819.db2.gz FINCUUFLKPEBKN-LBPRGKRZSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000616601971 350789840 /nfs/dbraw/zinc/78/98/40/350789840.db2.gz OWTHWLKWLNCSCW-ZDUSSCGKSA-N 1 0 246.398 3.637 10 0 BHAERO CC[N@@H+]1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616602270 350790522 /nfs/dbraw/zinc/79/05/22/350790522.db2.gz JWVYRIAZKHGKFW-ZDUSSCGKSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccc(N)c2)CC1 ZINC000616602549 350791664 /nfs/dbraw/zinc/79/16/64/350791664.db2.gz ZRPKCXFRJSSUKX-CYBMUJFWSA-N 1 0 246.398 3.637 10 0 BHAERO COc1cccc([C@H]2CCC[N@@H+](C(C)C)CC2)c1 ZINC000616602625 350791655 /nfs/dbraw/zinc/79/16/55/350791655.db2.gz RMFJYEYUVXUVRT-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616602854 350788018 /nfs/dbraw/zinc/78/80/18/350788018.db2.gz SZDXIHZROPDFDD-LBPRGKRZSA-N 1 0 237.774 3.929 10 0 BHAERO C[N@@H+]1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616602923 350789282 /nfs/dbraw/zinc/78/92/82/350789282.db2.gz QAZFVCZGQJDDSS-LBPRGKRZSA-N 1 0 223.747 3.539 10 0 BHAERO CC[N@@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616602964 350789124 /nfs/dbraw/zinc/78/91/24/350789124.db2.gz QTCSERUGTHHROC-ZDUSSCGKSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616603248 350789227 /nfs/dbraw/zinc/78/92/27/350789227.db2.gz DYLSJXCETZJZQC-AWEZNQCLSA-N 1 0 246.398 3.637 10 0 BHAERO CNc1ccc([C@H]2CCCC[N@@H+](C(C)C)C2)cc1 ZINC000616603286 350788938 /nfs/dbraw/zinc/78/89/38/350788938.db2.gz FOIVLWHFLOZTGV-HNNXBMFYSA-N 1 0 246.398 3.706 10 0 BHAERO CNc1ccccc1[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000616603540 350789914 /nfs/dbraw/zinc/78/99/14/350789914.db2.gz XZJHQZANFPLSJW-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO C[N@@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616603574 350789984 /nfs/dbraw/zinc/78/99/84/350789984.db2.gz WMXNFYPUQNNUFS-NSHDSACASA-N 1 0 223.747 3.539 10 0 BHAERO COc1ccc([C@H]2CCCC[N@@H+](C(C)C)C2)cc1 ZINC000616603701 350790159 /nfs/dbraw/zinc/79/01/59/350790159.db2.gz GOFRYBATCZFBRS-HNNXBMFYSA-N 1 0 247.382 3.673 10 0 BHAERO COc1ccccc1[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC000616603850 350795444 /nfs/dbraw/zinc/79/54/44/350795444.db2.gz IYSOPYHJHDPCPT-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO CC[N@@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616604017 350792602 /nfs/dbraw/zinc/79/26/02/350792602.db2.gz ZQZOCPXXKYHPFR-LBPRGKRZSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccccc1N ZINC000616604037 350792609 /nfs/dbraw/zinc/79/26/09/350792609.db2.gz ACGIGDQXTOPCKI-OAHLLOKOSA-N 1 0 246.398 3.984 10 0 BHAERO C[N@@H+]1CCCCC[C@@H]1c1cccc2ccncc21 ZINC000616604234 350792683 /nfs/dbraw/zinc/79/26/83/350792683.db2.gz BUSYKUQZHAEMTM-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616604370 350793281 /nfs/dbraw/zinc/79/32/81/350793281.db2.gz CJDMXOLSFKLYLB-CQSZACIVSA-N 1 0 232.371 3.797 10 0 BHAERO CNc1cccc([C@H]2CCCC[N@@H+](C(C)C)C2)c1 ZINC000616604486 350793422 /nfs/dbraw/zinc/79/34/22/350793422.db2.gz PYPYQJLRHWPDFY-HNNXBMFYSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616604500 350793525 /nfs/dbraw/zinc/79/35/25/350793525.db2.gz DYLSJXCETZJZQC-CQSZACIVSA-N 1 0 246.398 3.637 10 0 BHAERO CNc1ccc([C@@H]2CCCC[N@@H+](C(C)C)C2)cc1 ZINC000616604544 350793372 /nfs/dbraw/zinc/79/33/72/350793372.db2.gz FOIVLWHFLOZTGV-OAHLLOKOSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616604865 350793310 /nfs/dbraw/zinc/79/33/10/350793310.db2.gz RIAVUMQBUBLLFS-ZDUSSCGKSA-N 1 0 235.346 3.804 10 0 BHAERO COc1cccc([C@H]2CCCC[N@@H+](C(C)C)C2)c1 ZINC000616604949 350794324 /nfs/dbraw/zinc/79/43/24/350794324.db2.gz VKFWFJJSEUHVFK-HNNXBMFYSA-N 1 0 247.382 3.673 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccccc2N)C1 ZINC000616604976 350794149 /nfs/dbraw/zinc/79/41/49/350794149.db2.gz IKNSINOXFMJSMS-CYBMUJFWSA-N 1 0 246.398 3.637 10 0 BHAERO COc1ccccc1[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC000616604993 350794235 /nfs/dbraw/zinc/79/42/35/350794235.db2.gz IYSOPYHJHDPCPT-CQSZACIVSA-N 1 0 247.382 3.673 10 0 BHAERO CC[N@@H+]1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616605009 350794182 /nfs/dbraw/zinc/79/41/82/350794182.db2.gz JWVYRIAZKHGKFW-CYBMUJFWSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccc(N)cc1 ZINC000616605232 350794184 /nfs/dbraw/zinc/79/41/84/350794184.db2.gz IZXWLNWITLUBQB-OAHLLOKOSA-N 1 0 246.398 3.984 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616605284 350794067 /nfs/dbraw/zinc/79/40/67/350794067.db2.gz XQFNHGMDODXUET-AWEZNQCLSA-N 1 0 246.398 3.637 10 0 BHAERO C[N@@H+]1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616605590 350794975 /nfs/dbraw/zinc/79/49/75/350794975.db2.gz QAZFVCZGQJDDSS-GFCCVEGCSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616605632 350795010 /nfs/dbraw/zinc/79/50/10/350795010.db2.gz RIAVUMQBUBLLFS-CYBMUJFWSA-N 1 0 235.346 3.804 10 0 BHAERO C[N@@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616605840 350794775 /nfs/dbraw/zinc/79/47/75/350794775.db2.gz WMXNFYPUQNNUFS-LLVKDONJSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000616606011 350796740 /nfs/dbraw/zinc/79/67/40/350796740.db2.gz VEBPMJJZTQESEA-CQSZACIVSA-N 1 0 232.371 3.797 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616606016 350796572 /nfs/dbraw/zinc/79/65/72/350796572.db2.gz VMANIWKUAZECOP-CQSZACIVSA-N 1 0 232.371 3.797 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccc(N)c1 ZINC000616606022 350796351 /nfs/dbraw/zinc/79/63/51/350796351.db2.gz VVMVJEGFMPMCOU-OAHLLOKOSA-N 1 0 246.398 3.984 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616606326 350797243 /nfs/dbraw/zinc/79/72/43/350797243.db2.gz BWHSJHAOOMKYHE-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000616606345 350797642 /nfs/dbraw/zinc/79/76/42/350797642.db2.gz GMUAXGIMVIDMEZ-ZDUSSCGKSA-N 1 0 223.747 3.885 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616606391 350797538 /nfs/dbraw/zinc/79/75/38/350797538.db2.gz DQJHYMCXGSRAJY-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000616606431 350797204 /nfs/dbraw/zinc/79/72/04/350797204.db2.gz GMUAXGIMVIDMEZ-CYBMUJFWSA-N 1 0 223.747 3.885 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000616606821 350799493 /nfs/dbraw/zinc/79/94/93/350799493.db2.gz KLDITSQUJCZKLU-ZDUSSCGKSA-N 1 0 223.747 3.885 10 0 BHAERO CNc1ccc([C@H]2CCC[N@@H+]2C(C)(C)C)cc1 ZINC000616606879 350799107 /nfs/dbraw/zinc/79/91/07/350799107.db2.gz GXXJXAWDCSZKOU-CQSZACIVSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606908 350798980 /nfs/dbraw/zinc/79/89/80/350798980.db2.gz KHXAULRBHBQDAZ-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000616606910 350799593 /nfs/dbraw/zinc/79/95/93/350799593.db2.gz KLDITSQUJCZKLU-CYBMUJFWSA-N 1 0 223.747 3.885 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616606962 350799285 /nfs/dbraw/zinc/79/92/85/350799285.db2.gz NNMSWASWQSGJQG-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000616606998 350799484 /nfs/dbraw/zinc/79/94/84/350799484.db2.gz OAZLHNWPLCFEEN-CYBMUJFWSA-N 1 0 223.747 3.885 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000616607002 350799177 /nfs/dbraw/zinc/79/91/77/350799177.db2.gz OAZLHNWPLCFEEN-ZDUSSCGKSA-N 1 0 223.747 3.885 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616607020 350799258 /nfs/dbraw/zinc/79/92/58/350799258.db2.gz BWHSJHAOOMKYHE-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO COc1ccc([C@H]2CCC[N@@H+]2C(C)(C)C)cc1 ZINC000616607031 350799387 /nfs/dbraw/zinc/79/93/87/350799387.db2.gz PLHIRWKPBHDIKG-CQSZACIVSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616607066 350800393 /nfs/dbraw/zinc/80/03/93/350800393.db2.gz DQJHYMCXGSRAJY-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CNc1ccc([C@@H]2CCC[N@@H+]2C(C)(C)C)cc1 ZINC000616607117 350800498 /nfs/dbraw/zinc/80/04/98/350800498.db2.gz GXXJXAWDCSZKOU-AWEZNQCLSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000616607259 344464924 /nfs/dbraw/zinc/46/49/24/344464924.db2.gz QYTGYHPCRRAARC-CYBMUJFWSA-N 1 0 221.319 3.761 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616607346 350800505 /nfs/dbraw/zinc/80/05/05/350800505.db2.gz RXKPXAZHKGDYCY-OAHLLOKOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC000616607507 350800981 /nfs/dbraw/zinc/80/09/81/350800981.db2.gz UECJRYWNCNZEGN-CYBMUJFWSA-N 1 0 221.319 3.761 10 0 BHAERO COc1ccccc1[C@H]1CCC[N@@H+]1C(C)(C)C ZINC000616607519 350801086 /nfs/dbraw/zinc/80/10/86/350801086.db2.gz UVICLSKAFZVECP-CYBMUJFWSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616607557 350801338 /nfs/dbraw/zinc/80/13/38/350801338.db2.gz KHXAULRBHBQDAZ-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO COc1cccc([C@H]2CCC[N@@H+]2C(C)(C)C)c1 ZINC000616607679 350802097 /nfs/dbraw/zinc/80/20/97/350802097.db2.gz XTWLTIQXKZLKOB-CQSZACIVSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000616607683 350801949 /nfs/dbraw/zinc/80/19/49/350801949.db2.gz XWPVQWNTKRZRDD-CYBMUJFWSA-N 1 0 221.319 3.761 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc2ccncc21 ZINC000616607696 350802130 /nfs/dbraw/zinc/80/21/30/350802130.db2.gz LCILYTLINLEBEX-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616607869 350802066 /nfs/dbraw/zinc/80/20/66/350802066.db2.gz ZJZMCDBWLLUMMY-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616608194 350800299 /nfs/dbraw/zinc/80/02/99/350800299.db2.gz NNMSWASWQSGJQG-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO COc1ccc([C@@H]2CCC[N@@H+]2C(C)(C)C)cc1 ZINC000616608222 350797271 /nfs/dbraw/zinc/79/72/71/350797271.db2.gz PLHIRWKPBHDIKG-AWEZNQCLSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000616608283 350804685 /nfs/dbraw/zinc/80/46/85/350804685.db2.gz QYTGYHPCRRAARC-ZDUSSCGKSA-N 1 0 221.319 3.761 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616608315 350804243 /nfs/dbraw/zinc/80/42/43/350804243.db2.gz RXKPXAZHKGDYCY-HNNXBMFYSA-N 1 0 240.350 3.780 10 0 BHAERO CNc1ccccc1[C@@H]1CCC[N@@H+]1C(C)(C)C ZINC000616608337 350804627 /nfs/dbraw/zinc/80/46/27/350804627.db2.gz SLCMHMXDVNAMFO-AWEZNQCLSA-N 1 0 232.371 3.664 10 0 BHAERO CNc1ccccc1[C@H]1CCC[N@@H+]1C(C)(C)C ZINC000616608380 350804569 /nfs/dbraw/zinc/80/45/69/350804569.db2.gz SLCMHMXDVNAMFO-CQSZACIVSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccccc1F ZINC000616608411 350804800 /nfs/dbraw/zinc/80/48/00/350804800.db2.gz UECJRYWNCNZEGN-ZDUSSCGKSA-N 1 0 221.319 3.761 10 0 BHAERO COc1ccccc1[C@@H]1CCC[N@@H+]1C(C)(C)C ZINC000616608427 350804260 /nfs/dbraw/zinc/80/42/60/350804260.db2.gz UVICLSKAFZVECP-ZDUSSCGKSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cncc2ccccc21 ZINC000616608509 369102237 /nfs/dbraw/zinc/10/22/37/369102237.db2.gz XBDYXJUWMWIKQI-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc2cnccc21 ZINC000616608532 350804442 /nfs/dbraw/zinc/80/44/42/350804442.db2.gz XFGRYXJPHPDVGH-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO COc1cccc([C@@H]2CCC[N@@H+]2C(C)(C)C)c1 ZINC000616608552 350805631 /nfs/dbraw/zinc/80/56/31/350805631.db2.gz XTWLTIQXKZLKOB-AWEZNQCLSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000616608561 350805538 /nfs/dbraw/zinc/80/55/38/350805538.db2.gz XWPVQWNTKRZRDD-ZDUSSCGKSA-N 1 0 221.319 3.761 10 0 BHAERO CNc1cccc([C@@H]2CCC[N@@H+]2C(C)(C)C)c1 ZINC000616608657 350805671 /nfs/dbraw/zinc/80/56/71/350805671.db2.gz ZFQYEBUVFWJPNM-AWEZNQCLSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc2ncccc21 ZINC000616608659 350805352 /nfs/dbraw/zinc/80/53/52/350805352.db2.gz ZGFGNZJSGDZJBR-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CNc1cccc([C@H]2CCC[N@@H+]2C(C)(C)C)c1 ZINC000616608667 350805265 /nfs/dbraw/zinc/80/52/65/350805265.db2.gz ZFQYEBUVFWJPNM-CQSZACIVSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616608689 350805432 /nfs/dbraw/zinc/80/54/32/350805432.db2.gz ZJZMCDBWLLUMMY-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616609557 350803386 /nfs/dbraw/zinc/80/33/86/350803386.db2.gz BLNNJMWRWOMSLE-CYBMUJFWSA-N 1 0 235.346 3.804 10 0 BHAERO CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616609580 350803779 /nfs/dbraw/zinc/80/37/79/350803779.db2.gz CEOAQVFJDFOTED-GFCCVEGCSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccc1CO ZINC000616610372 350808639 /nfs/dbraw/zinc/80/86/39/350808639.db2.gz IATPJUKEEKHJJK-HNNXBMFYSA-N 1 0 247.382 3.504 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616610489 350805584 /nfs/dbraw/zinc/80/55/84/350805584.db2.gz KSBONDSAXISIJI-CYBMUJFWSA-N 1 0 235.346 3.804 10 0 BHAERO C[N@@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616610512 350806242 /nfs/dbraw/zinc/80/62/42/350806242.db2.gz LEUAZGSEMPDPFB-LLVKDONJSA-N 1 0 223.747 3.539 10 0 BHAERO FC(F)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616610543 350806157 /nfs/dbraw/zinc/80/61/57/350806157.db2.gz MGAQTUUXZHOOPU-CYBMUJFWSA-N 1 0 239.309 3.554 10 0 BHAERO C[N@@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616610606 350806470 /nfs/dbraw/zinc/80/64/70/350806470.db2.gz NCMKRCMSNAJNQN-LLVKDONJSA-N 1 0 223.747 3.539 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1nccc2ccccc21 ZINC000616610994 350806438 /nfs/dbraw/zinc/80/64/38/350806438.db2.gz PRNYXDUOQHSKGF-HNNXBMFYSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616611014 350807581 /nfs/dbraw/zinc/80/75/81/350807581.db2.gz QJEBFHYBSLRPGB-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616611346 350810926 /nfs/dbraw/zinc/81/09/26/350810926.db2.gz OTANDCQNDPZURM-GFCCVEGCSA-N 1 0 237.774 3.929 10 0 BHAERO CNc1cccc([C@@H]2CCC[N@@H+](C(C)C)CC2)c1 ZINC000616611430 350809055 /nfs/dbraw/zinc/80/90/55/350809055.db2.gz QOZUUSLSAIYANK-CQSZACIVSA-N 1 0 246.398 3.706 10 0 BHAERO COc1cccc([C@@H]2CCC[N@@H+](C(C)C)CC2)c1 ZINC000616611485 350809139 /nfs/dbraw/zinc/80/91/39/350809139.db2.gz RMFJYEYUVXUVRT-CQSZACIVSA-N 1 0 247.382 3.673 10 0 BHAERO C[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616611510 350809373 /nfs/dbraw/zinc/80/93/73/350809373.db2.gz RSKFNHVOVSOCFC-LLVKDONJSA-N 1 0 223.747 3.539 10 0 BHAERO COc1ccc([C@@H]2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000616612478 349562559 /nfs/dbraw/zinc/56/25/59/349562559.db2.gz VQGKEMJILKTERF-CQSZACIVSA-N 1 0 247.382 3.673 10 0 BHAERO COc1ccccc1[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000616612575 349581837 /nfs/dbraw/zinc/58/18/37/349581837.db2.gz WKKLJEHDHUKWGX-CQSZACIVSA-N 1 0 247.382 3.673 10 0 BHAERO CNc1ccccc1[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000616612706 349578597 /nfs/dbraw/zinc/57/85/97/349578597.db2.gz XZJHQZANFPLSJW-CQSZACIVSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC000616613013 349601411 /nfs/dbraw/zinc/60/14/11/349601411.db2.gz GTCQZEVLWKUUJW-NSHDSACASA-N 1 0 237.774 3.928 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000616613465 349863803 /nfs/dbraw/zinc/86/38/03/349863803.db2.gz JZIDCNMWPMIAQV-LBPRGKRZSA-N 1 0 237.774 3.928 10 0 BHAERO CNc1cccc([C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000616613794 350068017 /nfs/dbraw/zinc/06/80/17/350068017.db2.gz AZYKBUSLAWZFNK-OAHLLOKOSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616613816 350067514 /nfs/dbraw/zinc/06/75/14/350067514.db2.gz BJWLBSGWGIRZTP-OAHLLOKOSA-N 1 0 247.382 3.504 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616613858 350065350 /nfs/dbraw/zinc/06/53/50/350065350.db2.gz CGLJYRFZUBYTFW-OAHLLOKOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616613892 350814938 /nfs/dbraw/zinc/81/49/38/350814938.db2.gz DASZGDRLQMOWQI-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000616613979 398166911 /nfs/dbraw/zinc/16/69/11/398166911.db2.gz XMOMLQAMBYIUFG-LBPRGKRZSA-N 1 0 237.774 3.928 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000616614090 350827568 /nfs/dbraw/zinc/82/75/68/350827568.db2.gz IATPJUKEEKHJJK-OAHLLOKOSA-N 1 0 247.382 3.504 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC000616614187 350831055 /nfs/dbraw/zinc/83/10/55/350831055.db2.gz GTCQZEVLWKUUJW-LLVKDONJSA-N 1 0 237.774 3.928 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616614206 350831079 /nfs/dbraw/zinc/83/10/79/350831079.db2.gz KVPYFNIGPWRDQF-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO COc1cccc([C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000616614246 350830234 /nfs/dbraw/zinc/83/02/34/350830234.db2.gz MJULNYOJBHXLME-OAHLLOKOSA-N 1 0 233.355 3.631 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616614345 350831915 /nfs/dbraw/zinc/83/19/15/350831915.db2.gz JZIDCNMWPMIAQV-GFCCVEGCSA-N 1 0 237.774 3.928 10 0 BHAERO CNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000616614449 350833612 /nfs/dbraw/zinc/83/36/12/350833612.db2.gz OROJEVVYAQTVNV-OAHLLOKOSA-N 1 0 232.371 3.664 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614456 350833285 /nfs/dbraw/zinc/83/32/85/350833285.db2.gz PCFCQUGFUNKZAH-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1cccc2ncccc21 ZINC000616614519 350834084 /nfs/dbraw/zinc/83/40/84/350834084.db2.gz TWKQJJRBVMMBMZ-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccccc1N ZINC000616614580 350835471 /nfs/dbraw/zinc/83/54/71/350835471.db2.gz VTMQETUMPWEMGN-CQSZACIVSA-N 1 0 232.371 3.594 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC000616614787 350838293 /nfs/dbraw/zinc/83/82/93/350838293.db2.gz WCDPBJLJMIUYBE-CQSZACIVSA-N 1 0 221.319 3.761 10 0 BHAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000616614848 350840269 /nfs/dbraw/zinc/84/02/69/350840269.db2.gz XMOMLQAMBYIUFG-GFCCVEGCSA-N 1 0 237.774 3.928 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccc2ccncc2c1 ZINC000616614901 350842172 /nfs/dbraw/zinc/84/21/72/350842172.db2.gz YJFPTUDQBYAEEA-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CNc1ccccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000616614903 350841784 /nfs/dbraw/zinc/84/17/84/350841784.db2.gz YMKMLWPTXHXBSW-OAHLLOKOSA-N 1 0 232.371 3.664 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000616614913 350842072 /nfs/dbraw/zinc/84/20/72/350842072.db2.gz ZFAZNJGBJZWHPQ-CYBMUJFWSA-N 1 0 223.747 3.887 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616614914 350842147 /nfs/dbraw/zinc/84/21/47/350842147.db2.gz ZJASLEMGBJHWJQ-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CNc1cccc([C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000616615065 350844798 /nfs/dbraw/zinc/84/47/98/350844798.db2.gz AZYKBUSLAWZFNK-HNNXBMFYSA-N 1 0 232.371 3.664 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615082 398173389 /nfs/dbraw/zinc/17/33/89/398173389.db2.gz BJWLBSGWGIRZTP-HNNXBMFYSA-N 1 0 247.382 3.504 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cccc2ccncc21 ZINC000616615087 350844625 /nfs/dbraw/zinc/84/46/25/350844625.db2.gz BTLMWUYWZUBPGO-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cccc2cccnc21 ZINC000616615098 350845373 /nfs/dbraw/zinc/84/53/73/350845373.db2.gz CGLJYRFZUBYTFW-HNNXBMFYSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccc2ccccc2n1 ZINC000616615125 350845696 /nfs/dbraw/zinc/84/56/96/350845696.db2.gz DASZGDRLQMOWQI-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cncc2ccccc21 ZINC000616615186 350845432 /nfs/dbraw/zinc/84/54/32/350845432.db2.gz FRMHXPTXVLMCQX-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccc2cnccc2c1 ZINC000616615449 350845497 /nfs/dbraw/zinc/84/54/97/350845497.db2.gz KVPYFNIGPWRDQF-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccnc2ccccc21 ZINC000616615474 350847329 /nfs/dbraw/zinc/84/73/29/350847329.db2.gz LXMOWWYWMBAXRM-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO COc1cccc([C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000616615477 350847319 /nfs/dbraw/zinc/84/73/19/350847319.db2.gz MJULNYOJBHXLME-HNNXBMFYSA-N 1 0 233.355 3.631 10 0 BHAERO CNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000616615514 350847750 /nfs/dbraw/zinc/84/77/50/350847750.db2.gz OROJEVVYAQTVNV-HNNXBMFYSA-N 1 0 232.371 3.664 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615522 350847777 /nfs/dbraw/zinc/84/77/77/350847777.db2.gz PCFCQUGFUNKZAH-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615811 350851156 /nfs/dbraw/zinc/85/11/56/350851156.db2.gz TWKQJJRBVMMBMZ-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccc1N ZINC000616615848 350851093 /nfs/dbraw/zinc/85/10/93/350851093.db2.gz VTMQETUMPWEMGN-AWEZNQCLSA-N 1 0 232.371 3.594 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC000616615855 350849729 /nfs/dbraw/zinc/84/97/29/350849729.db2.gz WCDPBJLJMIUYBE-AWEZNQCLSA-N 1 0 221.319 3.761 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccc2ccncc2c1 ZINC000616616047 350853164 /nfs/dbraw/zinc/85/31/64/350853164.db2.gz YJFPTUDQBYAEEA-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CNc1ccccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000616616053 350853297 /nfs/dbraw/zinc/85/32/97/350853297.db2.gz YMKMLWPTXHXBSW-HNNXBMFYSA-N 1 0 232.371 3.664 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000616616079 350853196 /nfs/dbraw/zinc/85/31/96/350853196.db2.gz ZFAZNJGBJZWHPQ-ZDUSSCGKSA-N 1 0 223.747 3.887 10 0 BHAERO CC[N@@H+]1CCCC[C@H]1c1ccc2cccnc2c1 ZINC000616616080 350853127 /nfs/dbraw/zinc/85/31/27/350853127.db2.gz ZJASLEMGBJHWJQ-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616617003 350859469 /nfs/dbraw/zinc/85/94/69/350859469.db2.gz FUJWOAWVRBGDBU-GFCCVEGCSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2Cl)C1 ZINC000616617004 350859130 /nfs/dbraw/zinc/85/91/30/350859130.db2.gz FWBWFNZHUPOVCI-GFCCVEGCSA-N 1 0 237.774 3.928 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000616617089 350861055 /nfs/dbraw/zinc/86/10/55/350861055.db2.gz FUJWOAWVRBGDBU-LBPRGKRZSA-N 1 0 223.747 3.539 10 0 BHAERO CC[N@@H+]1CCC[C@@H](c2ccccc2Cl)C1 ZINC000616617187 350862741 /nfs/dbraw/zinc/86/27/41/350862741.db2.gz MHFHCCMVJUUOQO-LLVKDONJSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616617201 398180553 /nfs/dbraw/zinc/18/05/53/398180553.db2.gz NCOBUTOLMVZLFW-CYBMUJFWSA-N 1 0 237.774 3.928 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2F)C1 ZINC000616617223 350863738 /nfs/dbraw/zinc/86/37/38/350863738.db2.gz NWVFGEAUCQWSEG-GFCCVEGCSA-N 1 0 235.346 3.804 10 0 BHAERO CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616617246 350863242 /nfs/dbraw/zinc/86/32/42/350863242.db2.gz OTCCDEPHWGHPOZ-GFCCVEGCSA-N 1 0 223.747 3.539 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2ccccc2Cl)C1 ZINC000616617296 350863979 /nfs/dbraw/zinc/86/39/79/350863979.db2.gz MHFHCCMVJUUOQO-NSHDSACASA-N 1 0 223.747 3.539 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616617326 350864367 /nfs/dbraw/zinc/86/43/67/350864367.db2.gz OTCCDEPHWGHPOZ-LBPRGKRZSA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616617351 411394167 /nfs/dbraw/zinc/39/41/67/411394167.db2.gz SNKSNZCSYAGNQF-CYBMUJFWSA-N 1 0 237.774 3.928 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2Cl)C1 ZINC000616617711 350871977 /nfs/dbraw/zinc/87/19/77/350871977.db2.gz FWBWFNZHUPOVCI-LBPRGKRZSA-N 1 0 237.774 3.928 10 0 BHAERO COc1ccc([C@H]2CCC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616617859 350878369 /nfs/dbraw/zinc/87/83/69/350878369.db2.gz LMLVJWKZZOQDSV-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616617926 350880514 /nfs/dbraw/zinc/88/05/14/350880514.db2.gz MZKXUHOEHMUWGW-ZDUSSCGKSA-N 1 0 235.346 3.804 10 0 BHAERO CNc1cccc([C@H]2CCC[N@@H+](C(C)(C)C)C2)c1 ZINC000616617940 350879038 /nfs/dbraw/zinc/87/90/38/350879038.db2.gz NGOKLELZKFDDEW-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccccc2F)C1 ZINC000616617971 350881134 /nfs/dbraw/zinc/88/11/34/350881134.db2.gz NWVFGEAUCQWSEG-LBPRGKRZSA-N 1 0 235.346 3.804 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(F)c2)C1 ZINC000616618160 350883510 /nfs/dbraw/zinc/88/35/10/350883510.db2.gz PJLRPJGIXBSYHA-ZDUSSCGKSA-N 1 0 235.346 3.804 10 0 BHAERO CNc1ccc([C@H]2CCC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616618161 350883008 /nfs/dbraw/zinc/88/30/08/350883008.db2.gz PLSPGTBISOJEAQ-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616618215 343522951 /nfs/dbraw/zinc/52/29/51/343522951.db2.gz SNKSNZCSYAGNQF-ZDUSSCGKSA-N 1 0 237.774 3.928 10 0 BHAERO COc1ccccc1[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000616618263 350884135 /nfs/dbraw/zinc/88/41/35/350884135.db2.gz UNRAJUWZNCENKW-ZDUSSCGKSA-N 1 0 247.382 3.673 10 0 BHAERO CNc1ccccc1[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000616618430 350910914 /nfs/dbraw/zinc/91/09/14/350910914.db2.gz UUUZOPZHGBJBQK-ZDUSSCGKSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)(C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000616618972 350925627 /nfs/dbraw/zinc/92/56/27/350925627.db2.gz AXNXYGAZQTXLMN-UHFFFAOYSA-N 1 0 235.346 3.804 10 0 BHAERO CC(C)(C)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000616618992 350925857 /nfs/dbraw/zinc/92/58/57/350925857.db2.gz CEIWITRUVIWAOH-UHFFFAOYSA-N 1 0 235.346 3.804 10 0 BHAERO CNc1ccc(C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000616619005 350926084 /nfs/dbraw/zinc/92/60/84/350926084.db2.gz DGKCWKCPNAKDJM-UHFFFAOYSA-N 1 0 246.398 3.706 10 0 BHAERO CNc1cccc(C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000616619045 350925814 /nfs/dbraw/zinc/92/58/14/350925814.db2.gz HHZOVDCPNAYRFR-UHFFFAOYSA-N 1 0 246.398 3.706 10 0 BHAERO COc1cccc(C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000616619390 350926866 /nfs/dbraw/zinc/92/68/66/350926866.db2.gz LTIRHBKXXXLTRA-UHFFFAOYSA-N 1 0 247.382 3.673 10 0 BHAERO CNc1ccccc1C1CC[NH+](C(C)(C)C)CC1 ZINC000616619448 350927496 /nfs/dbraw/zinc/92/74/96/350927496.db2.gz OJQSXUXYWPINHK-UHFFFAOYSA-N 1 0 246.398 3.706 10 0 BHAERO COc1ccccc1C1CC[NH+](C(C)(C)C)CC1 ZINC000616619698 350928574 /nfs/dbraw/zinc/92/85/74/350928574.db2.gz WWLYOZNFWPZDNH-UHFFFAOYSA-N 1 0 247.382 3.673 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1ccc2ccncc2c1 ZINC000616620054 350932152 /nfs/dbraw/zinc/93/21/52/350932152.db2.gz BXLDIZRPKOXPLU-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCCC[C@H]1c1ccccc1NC ZINC000616620074 350932187 /nfs/dbraw/zinc/93/21/87/350932187.db2.gz CKPDAORNRITBQZ-HNNXBMFYSA-N 1 0 232.371 3.665 10 0 BHAERO CC[N@@H+]1CCCCC[C@H]1c1ccc(NC)cc1 ZINC000616620113 350933373 /nfs/dbraw/zinc/93/33/73/350933373.db2.gz CPURVODMYWZRBR-HNNXBMFYSA-N 1 0 232.371 3.665 10 0 BHAERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccccc1CO 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/nfs/dbraw/zinc/09/28/59/351092859.db2.gz IZXWLNWITLUBQB-HNNXBMFYSA-N 1 0 246.398 3.984 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1ccnc2ccccc21 ZINC000616625407 351093925 /nfs/dbraw/zinc/09/39/25/351093925.db2.gz LXMOWWYWMBAXRM-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1ccccn1 ZINC000616625729 351094434 /nfs/dbraw/zinc/09/44/34/351094434.db2.gz VEBPMJJZTQESEA-AWEZNQCLSA-N 1 0 232.371 3.797 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000616625746 351094466 /nfs/dbraw/zinc/09/44/66/351094466.db2.gz VMANIWKUAZECOP-AWEZNQCLSA-N 1 0 232.371 3.797 10 0 BHAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1cccc(N)c1 ZINC000616625764 351094828 /nfs/dbraw/zinc/09/48/28/351094828.db2.gz VVMVJEGFMPMCOU-HNNXBMFYSA-N 1 0 246.398 3.984 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1nccc2ccccc21 ZINC000616626046 343526172 /nfs/dbraw/zinc/52/61/72/343526172.db2.gz PRNYXDUOQHSKGF-OAHLLOKOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCCC[C@@H]1c1cccc2cnccc21 ZINC000616626073 351087703 /nfs/dbraw/zinc/08/77/03/351087703.db2.gz QJEBFHYBSLRPGB-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000616626266 351106410 /nfs/dbraw/zinc/10/64/10/351106410.db2.gz AEDAFLCWRGOAQY-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@@H]1c1cccc2cnccc21 ZINC000616626267 351105896 /nfs/dbraw/zinc/10/58/96/351105896.db2.gz AEDAFLCWRGOAQY-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1cccc2ccncc21 ZINC000616626287 351106403 /nfs/dbraw/zinc/10/64/03/351106403.db2.gz BUSYKUQZHAEMTM-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616626828 351106977 /nfs/dbraw/zinc/10/69/77/351106977.db2.gz CEOAQVFJDFOTED-LBPRGKRZSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(N)cc2)CC1 ZINC000616626870 351107050 /nfs/dbraw/zinc/10/70/50/351107050.db2.gz DNWYEMRVUHVENA-ZDUSSCGKSA-N 1 0 246.398 3.637 10 0 BHAERO CNc1ccccc1[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC000616627264 351107829 /nfs/dbraw/zinc/10/78/29/351107829.db2.gz FYCVOBVJDHBPFQ-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO FC(F)[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616627265 351108021 /nfs/dbraw/zinc/10/80/21/351108021.db2.gz FYGLCMOGLLRFBB-ZDUSSCGKSA-N 1 0 239.309 3.554 10 0 BHAERO CNc1ccc([C@@H]2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000616627344 351094427 /nfs/dbraw/zinc/09/44/27/351094427.db2.gz JMKDHRZWLPDUTB-CQSZACIVSA-N 1 0 246.398 3.706 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616627687 351095590 /nfs/dbraw/zinc/09/55/90/351095590.db2.gz KSBONDSAXISIJI-ZDUSSCGKSA-N 1 0 235.346 3.804 10 0 BHAERO C[N@@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616627766 351096688 /nfs/dbraw/zinc/09/66/88/351096688.db2.gz NCMKRCMSNAJNQN-NSHDSACASA-N 1 0 223.747 3.539 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccccc2N)C1 ZINC000616627972 351096437 /nfs/dbraw/zinc/09/64/37/351096437.db2.gz IKNSINOXFMJSMS-ZDUSSCGKSA-N 1 0 246.398 3.637 10 0 BHAERO CC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616628045 351096492 /nfs/dbraw/zinc/09/64/92/351096492.db2.gz JHHLOPGSHGZBQB-AWEZNQCLSA-N 1 0 217.356 3.699 10 0 BHAERO CC(C)(C)[C@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616628060 351096517 /nfs/dbraw/zinc/09/65/17/351096517.db2.gz JPHMNXWZQXWRQC-LBPRGKRZSA-N 1 0 211.393 3.933 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2N)CC1 ZINC000616628261 351097950 /nfs/dbraw/zinc/09/79/50/351097950.db2.gz OWTHWLKWLNCSCW-CYBMUJFWSA-N 1 0 246.398 3.637 10 0 BHAERO CC[N@@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616628777 351099118 /nfs/dbraw/zinc/09/91/18/351099118.db2.gz OTANDCQNDPZURM-LBPRGKRZSA-N 1 0 237.774 3.929 10 0 BHAERO CNc1cccc([C@H]2CCC[N@@H+](C(C)C)CC2)c1 ZINC000616628886 351099698 /nfs/dbraw/zinc/09/96/98/351099698.db2.gz QOZUUSLSAIYANK-AWEZNQCLSA-N 1 0 246.398 3.706 10 0 BHAERO C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)CC1 ZINC000616628977 351099191 /nfs/dbraw/zinc/09/91/91/351099191.db2.gz RSKFNHVOVSOCFC-NSHDSACASA-N 1 0 223.747 3.539 10 0 BHAERO FC(F)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616629164 351100163 /nfs/dbraw/zinc/10/01/63/351100163.db2.gz MGAQTUUXZHOOPU-ZDUSSCGKSA-N 1 0 239.309 3.554 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1nccc2ccccc21 ZINC000616629477 351100773 /nfs/dbraw/zinc/10/07/73/351100773.db2.gz JTNXDERIMTVRSI-HNNXBMFYSA-N 1 0 240.350 3.782 10 0 BHAERO COc1ccc([C@H]2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000616630081 343527137 /nfs/dbraw/zinc/52/71/37/343527137.db2.gz VQGKEMJILKTERF-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO COc1ccccc1[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000616630122 351101493 /nfs/dbraw/zinc/10/14/93/351101493.db2.gz WKKLJEHDHUKWGX-AWEZNQCLSA-N 1 0 247.382 3.673 10 0 BHAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(N)c2)CC1 ZINC000616630248 351102616 /nfs/dbraw/zinc/10/26/16/351102616.db2.gz ZRPKCXFRJSSUKX-ZDUSSCGKSA-N 1 0 246.398 3.637 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616630428 351102874 /nfs/dbraw/zinc/10/28/74/351102874.db2.gz XWFGXDIWERSUTN-AWEZNQCLSA-N 1 0 235.346 3.804 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1nccc2ccccc21 ZINC000616632162 351110983 /nfs/dbraw/zinc/11/09/83/351110983.db2.gz IRBRXBAFHCRDCI-HNNXBMFYSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1nccc2ccccc21 ZINC000616632163 351111545 /nfs/dbraw/zinc/11/15/45/351111545.db2.gz IRBRXBAFHCRDCI-OAHLLOKOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616632222 351111081 /nfs/dbraw/zinc/11/10/81/351111081.db2.gz LCILYTLINLEBEX-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1ccnc2ccccc21 ZINC000616632245 351110928 /nfs/dbraw/zinc/11/09/28/351110928.db2.gz NRUIMABFOIQRJN-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@@H]1c1ccnc2ccccc21 ZINC000616632247 351111555 /nfs/dbraw/zinc/11/15/55/351111555.db2.gz NRUIMABFOIQRJN-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616633898 351116469 /nfs/dbraw/zinc/11/64/69/351116469.db2.gz TZULBGDOHCQCDI-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616633900 351116037 /nfs/dbraw/zinc/11/60/37/351116037.db2.gz TZULBGDOHCQCDI-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO C[N@@H+]1CCCCC[C@H]1c1cccc2ncccc21 ZINC000616634041 351116098 /nfs/dbraw/zinc/11/60/98/351116098.db2.gz VRHGOEICPHMFCH-INIZCTEOSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H]1c1ccnc2ccccc21 ZINC000616634534 351117077 /nfs/dbraw/zinc/11/70/77/351117077.db2.gz SJVAJTMGQGDFEU-INIZCTEOSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616634536 351116920 /nfs/dbraw/zinc/11/69/20/351116920.db2.gz SJVAJTMGQGDFEU-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616634673 351118040 /nfs/dbraw/zinc/11/80/40/351118040.db2.gz XBDYXJUWMWIKQI-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616634678 351118154 /nfs/dbraw/zinc/11/81/54/351118154.db2.gz XFGRYXJPHPDVGH-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO C[N@@H+]1CCCCC[C@@H]1c1ccc2ncccc2c1 ZINC000616634690 351118009 /nfs/dbraw/zinc/11/80/09/351118009.db2.gz ZXUMNFMKZCFLFV-MRXNPFEDSA-N 1 0 240.350 3.782 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc2ncccc21 ZINC000616635008 351117946 /nfs/dbraw/zinc/11/79/46/351117946.db2.gz ZGFGNZJSGDZJBR-MRXNPFEDSA-N 1 0 240.350 3.780 10 0 BHAERO FC(F)[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616650515 351184597 /nfs/dbraw/zinc/18/45/97/351184597.db2.gz FYGLCMOGLLRFBB-CYBMUJFWSA-N 1 0 239.309 3.554 10 0 BHAERO C[N@@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616652187 351191058 /nfs/dbraw/zinc/19/10/58/351191058.db2.gz FINCUUFLKPEBKN-GFCCVEGCSA-N 1 0 223.747 3.539 10 0 BHAERO CNc1ccccc1[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC000616652241 351190962 /nfs/dbraw/zinc/19/09/62/351190962.db2.gz FYCVOBVJDHBPFQ-CQSZACIVSA-N 1 0 246.398 3.706 10 0 BHAERO COc1ccc([C@@H]2CCCC[N@@H+](C(C)C)C2)cc1 ZINC000616652272 351190729 /nfs/dbraw/zinc/19/07/29/351190729.db2.gz GOFRYBATCZFBRS-OAHLLOKOSA-N 1 0 247.382 3.673 10 0 BHAERO CC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616652920 351187130 /nfs/dbraw/zinc/18/71/30/351187130.db2.gz JHHLOPGSHGZBQB-CQSZACIVSA-N 1 0 217.356 3.699 10 0 BHAERO CC(C)(C)[C@@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616654025 351194848 /nfs/dbraw/zinc/19/48/48/351194848.db2.gz JPHMNXWZQXWRQC-GFCCVEGCSA-N 1 0 211.393 3.933 10 0 BHAERO CNc1cccc([C@@H]2CCCC[N@@H+](C(C)C)C2)c1 ZINC000616654860 351192107 /nfs/dbraw/zinc/19/21/07/351192107.db2.gz PYPYQJLRHWPDFY-OAHLLOKOSA-N 1 0 246.398 3.706 10 0 BHAERO CC[N@@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616654876 351192141 /nfs/dbraw/zinc/19/21/41/351192141.db2.gz QTCSERUGTHHROC-CYBMUJFWSA-N 1 0 237.774 3.929 10 0 BHAERO COc1cccc([C@@H]2CCCC[N@@H+](C(C)C)C2)c1 ZINC000616656298 351202733 /nfs/dbraw/zinc/20/27/33/351202733.db2.gz VKFWFJJSEUHVFK-OAHLLOKOSA-N 1 0 247.382 3.673 10 0 BHAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccc(N)c2)C1 ZINC000616656435 351202528 /nfs/dbraw/zinc/20/25/28/351202528.db2.gz XQFNHGMDODXUET-CQSZACIVSA-N 1 0 246.398 3.637 10 0 BHAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616656449 351202564 /nfs/dbraw/zinc/20/25/64/351202564.db2.gz XWFGXDIWERSUTN-CQSZACIVSA-N 1 0 235.346 3.804 10 0 BHAERO CC[N@@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616657142 351198254 /nfs/dbraw/zinc/19/82/54/351198254.db2.gz ZQZOCPXXKYHPFR-GFCCVEGCSA-N 1 0 237.774 3.929 10 0 BHAERO CC(C)(C)N1CCc2ccccc2[C@H]1C(F)F ZINC000616679391 351250150 /nfs/dbraw/zinc/25/01/50/351250150.db2.gz RZHWVNFLQDVYDG-LBPRGKRZSA-N 1 0 239.309 3.649 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)CC(C)(C)C1 ZINC000621378697 343390896 /nfs/dbraw/zinc/39/08/96/343390896.db2.gz BQTTYADTPOFXPG-GRYCIOLGSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CC(C)(C)C1 ZINC000621378698 343391127 /nfs/dbraw/zinc/39/11/27/343391127.db2.gz BQTTYADTPOFXPG-IJLUTSLNSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)CC(C)(C)C1 ZINC000621378699 343390999 /nfs/dbraw/zinc/39/09/99/343390999.db2.gz BQTTYADTPOFXPG-UTUOFQBUSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)CC(C)(C)C1 ZINC000621378700 343390949 /nfs/dbraw/zinc/39/09/49/343390949.db2.gz BQTTYADTPOFXPG-WOPDTQHZSA-N 1 0 245.357 3.836 10 0 BHAERO [NH3+]Cc1cnc(-c2ccc(C3CCC3)cc2)s1 ZINC000629701136 361632040 /nfs/dbraw/zinc/63/20/40/361632040.db2.gz YWBCORLNPRQMBR-UHFFFAOYSA-N 1 0 244.363 3.536 10 0 BHAERO [NH3+]Cc1cnc(-c2cccc(C3CCC3)c2)s1 ZINC000629729928 361669320 /nfs/dbraw/zinc/66/93/20/361669320.db2.gz KDDOEBASWOQUJB-UHFFFAOYSA-N 1 0 244.363 3.536 10 0 BHAERO COCc1cc(-c2cccc([C@H](C)[NH3+])c2)cs1 ZINC000629747525 361681682 /nfs/dbraw/zinc/68/16/82/361681682.db2.gz HRWBTWQDFDTKIL-JTQLQIEISA-N 1 0 247.363 3.581 10 0 BHAERO COCc1cc(-c2cccc([C@@H](C)[NH3+])c2)cs1 ZINC000629747526 361681429 /nfs/dbraw/zinc/68/14/29/361681429.db2.gz HRWBTWQDFDTKIL-SNVBAGLBSA-N 1 0 247.363 3.581 10 0 BHAERO COCc1cc(-c2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000629750790 361682987 /nfs/dbraw/zinc/68/29/87/361682987.db2.gz ZTNIKYLHKMICJI-JTQLQIEISA-N 1 0 247.363 3.581 10 0 BHAERO COCc1cc(-c2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000629750792 361682803 /nfs/dbraw/zinc/68/28/03/361682803.db2.gz ZTNIKYLHKMICJI-SNVBAGLBSA-N 1 0 247.363 3.581 10 0 BHAERO Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000642342561 363448289 /nfs/dbraw/zinc/44/82/89/363448289.db2.gz HPIRKYNKFAUGQV-OCCSQVGLSA-N 1 0 249.398 3.935 10 0 BHAERO Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000642342562 363447884 /nfs/dbraw/zinc/44/78/84/363447884.db2.gz HPIRKYNKFAUGQV-TZMCWYRMSA-N 1 0 249.398 3.935 10 0 BHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000646155416 388157718 /nfs/dbraw/zinc/15/77/18/388157718.db2.gz YXJZILUQWKOTBK-NEPJUHHUSA-N 1 0 247.304 3.807 10 0 BHAERO C[C@H](C[NH2+]CC1CCC(C)CC1)CC(F)F ZINC000647226419 384395879 /nfs/dbraw/zinc/39/58/79/384395879.db2.gz GFMOZHATEXZCRW-CXQJBGSLSA-N 1 0 233.346 3.694 10 0 BHAERO C[C@@H](C[NH2+]CC1CCC(C)CC1)CC(F)F ZINC000647226420 384394980 /nfs/dbraw/zinc/39/49/80/384394980.db2.gz GFMOZHATEXZCRW-MOENNCHZSA-N 1 0 233.346 3.694 10 0 BHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000647348721 384616773 /nfs/dbraw/zinc/61/67/73/384616773.db2.gz PQZJRGHFNABAAO-CDGCEXEKSA-N 1 0 235.396 3.896 10 0 BHAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000647348805 384617820 /nfs/dbraw/zinc/61/78/20/384617820.db2.gz XZWMKAJFMLMBCU-AHLTXXRQSA-N 1 0 235.396 3.977 10 0 BHAERO CCC1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648429259 387815706 /nfs/dbraw/zinc/81/57/06/387815706.db2.gz AUQYHBOZZMZWPG-SSAPVHDHSA-N 1 0 239.403 3.501 10 0 BHAERO FC1(F)CCCC[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811317 398118891 /nfs/dbraw/zinc/11/88/91/398118891.db2.gz MQZLNCXYPOFPBS-GFCCVEGCSA-N 1 0 243.341 3.734 10 0 BHAERO FC1(F)CCCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811318 398118739 /nfs/dbraw/zinc/11/87/39/398118739.db2.gz MQZLNCXYPOFPBS-LBPRGKRZSA-N 1 0 243.341 3.734 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)SC2)o1 ZINC000655683028 411224171 /nfs/dbraw/zinc/22/41/71/411224171.db2.gz OMZSEGYAIKVPCC-GRYCIOLGSA-N 1 0 239.384 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)SC2)o1 ZINC000655683032 411223541 /nfs/dbraw/zinc/22/35/41/411223541.db2.gz OMZSEGYAIKVPCC-SDDRHHMPSA-N 1 0 239.384 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)SC2)o1 ZINC000655683034 411224155 /nfs/dbraw/zinc/22/41/55/411224155.db2.gz OMZSEGYAIKVPCC-SRVKXCTJSA-N 1 0 239.384 3.523 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)SC2)o1 ZINC000655683035 411223960 /nfs/dbraw/zinc/22/39/60/411223960.db2.gz OMZSEGYAIKVPCC-WOPDTQHZSA-N 1 0 239.384 3.523 10 0 BHAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1cccs1 ZINC000655690983 411235859 /nfs/dbraw/zinc/23/58/59/411235859.db2.gz QSHTWGUWPZAJMY-OUAUKWLOSA-N 1 0 241.425 3.683 10 0 BHAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1cccs1 ZINC000655692207 411236067 /nfs/dbraw/zinc/23/60/67/411236067.db2.gz QSHTWGUWPZAJMY-VWYCJHECSA-N 1 0 241.425 3.683 10 0 BHAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)CS1 ZINC000655698840 411248830 /nfs/dbraw/zinc/24/88/30/411248830.db2.gz XQQSIPMQZOEHAJ-KYOSRNDESA-N 1 0 247.407 3.548 10 0 BHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)CS1 ZINC000655698843 411248860 /nfs/dbraw/zinc/24/88/60/411248860.db2.gz XQQSIPMQZOEHAJ-ZLDLUXBVSA-N 1 0 247.407 3.548 10 0 BHAERO CCC1CCC([NH2+]Cc2nccn2C(C)C)CC1 ZINC000657316493 411462813 /nfs/dbraw/zinc/46/28/13/411462813.db2.gz NASBAROZHQGEMF-UHFFFAOYSA-N 1 0 249.402 3.522 10 0 BHAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)CO1 ZINC000657318167 411462589 /nfs/dbraw/zinc/46/25/89/411462589.db2.gz MBXCPJAQPZCXGA-QLFBSQMISA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)CO1 ZINC000657318168 411462692 /nfs/dbraw/zinc/46/26/92/411462692.db2.gz MBXCPJAQPZCXGA-RBSFLKMASA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2C)CO1 ZINC000657318169 411462897 /nfs/dbraw/zinc/46/28/97/411462897.db2.gz MBXCPJAQPZCXGA-RRFJBIMHSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)CO1 ZINC000657318170 411463141 /nfs/dbraw/zinc/46/31/41/411463141.db2.gz MBXCPJAQPZCXGA-SOUVJXGZSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)CO1 ZINC000657337139 411471862 /nfs/dbraw/zinc/47/18/62/411471862.db2.gz KCOWJTWXDXTQIW-CWRNSKLLSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)CO1 ZINC000657337140 411471880 /nfs/dbraw/zinc/47/18/80/411471880.db2.gz KCOWJTWXDXTQIW-FVQBIDKESA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)CO1 ZINC000657337141 411472190 /nfs/dbraw/zinc/47/21/90/411472190.db2.gz KCOWJTWXDXTQIW-NUEKZKHPSA-N 1 0 247.382 3.522 10 0 BHAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)CO1 ZINC000657337142 411472004 /nfs/dbraw/zinc/47/20/04/411472004.db2.gz KCOWJTWXDXTQIW-VNQPRFMTSA-N 1 0 247.382 3.522 10 0 BHAERO C[C@H](C[NH2+]CC1CCC(C)CC1)c1ccccn1 ZINC000657534453 411545940 /nfs/dbraw/zinc/54/59/40/411545940.db2.gz FZTOOLFDTHBFAF-SHARSMKWSA-N 1 0 246.398 3.601 10 0 BHAERO C[C@@H](C[NH2+]CC1CCC(C)CC1)c1ccccn1 ZINC000657534454 411545815 /nfs/dbraw/zinc/54/58/15/411545815.db2.gz FZTOOLFDTHBFAF-SLTAFYQDSA-N 1 0 246.398 3.601 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC(C)(C)C1 ZINC000657668137 411573789 /nfs/dbraw/zinc/57/37/89/411573789.db2.gz DTDPZKGXLSDWQU-MDZLAQPJSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC(C)(C)C1 ZINC000657668139 411573995 /nfs/dbraw/zinc/57/39/95/411573995.db2.gz DTDPZKGXLSDWQU-NQBHXWOUSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC(C)(C)C1 ZINC000657668141 411573770 /nfs/dbraw/zinc/57/37/70/411573770.db2.gz DTDPZKGXLSDWQU-NTZNESFSSA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC(C)(C)C1 ZINC000657668143 411573747 /nfs/dbraw/zinc/57/37/47/411573747.db2.gz DTDPZKGXLSDWQU-WZRBSPASSA-N 1 0 245.357 3.836 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657820155 411606424 /nfs/dbraw/zinc/60/64/24/411606424.db2.gz HMCDRLCCKPHHTC-KBPBESRZSA-N 1 0 249.423 3.931 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657820157 411606287 /nfs/dbraw/zinc/60/62/87/411606287.db2.gz HMCDRLCCKPHHTC-KGLIPLIRSA-N 1 0 249.423 3.931 10 0 BHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657820159 411606567 /nfs/dbraw/zinc/60/65/67/411606567.db2.gz HMCDRLCCKPHHTC-UONOGXRCSA-N 1 0 249.423 3.931 10 0 BHAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657820162 411606281 /nfs/dbraw/zinc/60/62/81/411606281.db2.gz HMCDRLCCKPHHTC-ZIAGYGMSSA-N 1 0 249.423 3.931 10 0 BHAERO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1cccs1 ZINC000657822550 411607032 /nfs/dbraw/zinc/60/70/32/411607032.db2.gz VBOIFBXRQWZGQP-GHMZBOCLSA-N 1 0 241.425 3.684 10 0 BHAERO C[C@@H]([NH2+][C@H]1CCCSCC1)c1cccs1 ZINC000657822551 411606919 /nfs/dbraw/zinc/60/69/19/411606919.db2.gz VBOIFBXRQWZGQP-MNOVXSKESA-N 1 0 241.425 3.684 10 0 BHAERO C[C@H]([NH2+][C@H]1CCCSCC1)c1cccs1 ZINC000657822552 411606882 /nfs/dbraw/zinc/60/68/82/411606882.db2.gz VBOIFBXRQWZGQP-QWRGUYRKSA-N 1 0 241.425 3.684 10 0 BHAERO C[C@H]([NH2+][C@@H]1CCCSCC1)c1cccs1 ZINC000657822553 411607274 /nfs/dbraw/zinc/60/72/74/411607274.db2.gz VBOIFBXRQWZGQP-WDEREUQCSA-N 1 0 241.425 3.684 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSCC2)o1 ZINC000657827413 411608236 /nfs/dbraw/zinc/60/82/36/411608236.db2.gz ZRYHNIFRQWUBDT-NEPJUHHUSA-N 1 0 239.384 3.524 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSCC2)o1 ZINC000657827416 411608265 /nfs/dbraw/zinc/60/82/65/411608265.db2.gz ZRYHNIFRQWUBDT-NWDGAFQWSA-N 1 0 239.384 3.524 10 0 BHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSCC2)o1 ZINC000657827419 411608375 /nfs/dbraw/zinc/60/83/75/411608375.db2.gz ZRYHNIFRQWUBDT-RYUDHWBXSA-N 1 0 239.384 3.524 10 0 BHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSCC2)o1 ZINC000657827423 411608229 /nfs/dbraw/zinc/60/82/29/411608229.db2.gz ZRYHNIFRQWUBDT-VXGBXAGGSA-N 1 0 239.384 3.524 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCSCC1 ZINC000657828124 411608198 /nfs/dbraw/zinc/60/81/98/411608198.db2.gz RVFAMZYOBKEJEY-HIFRSBDPSA-N 1 0 247.407 3.549 10 0 BHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCSCC1 ZINC000657828129 411608317 /nfs/dbraw/zinc/60/83/17/411608317.db2.gz RVFAMZYOBKEJEY-ZFWWWQNUSA-N 1 0 247.407 3.549 10 0 BHAERO CCC1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657842325 411610322 /nfs/dbraw/zinc/61/03/22/411610322.db2.gz AZEUCLZWDBRIRG-MOKVOYLWSA-N 1 0 241.444 3.831 10 0 BHAERO CCC1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657842327 411610307 /nfs/dbraw/zinc/61/03/07/411610307.db2.gz AZEUCLZWDBRIRG-ROKHWSDSSA-N 1 0 241.444 3.831 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCSCC2)c1 ZINC000658032507 411210443 /nfs/dbraw/zinc/21/04/43/411210443.db2.gz RWWGFWYAJYBTKL-HIFRSBDPSA-N 1 0 249.423 3.931 10 0 BHAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCSCC2)c1 ZINC000658032508 411210527 /nfs/dbraw/zinc/21/05/27/411210527.db2.gz RWWGFWYAJYBTKL-UKRRQHHQSA-N 1 0 249.423 3.931 10 0 BHAERO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)o1)CC(F)F ZINC000660256319 411560805 /nfs/dbraw/zinc/56/08/05/411560805.db2.gz HQKYDDGLRJBPFY-GHMZBOCLSA-N 1 0 245.313 3.920 10 0 BHAERO CC[C@H](C[NH2+][C@H](C)c1ccc(C)o1)CC(F)F ZINC000660256320 411560947 /nfs/dbraw/zinc/56/09/47/411560947.db2.gz HQKYDDGLRJBPFY-MNOVXSKESA-N 1 0 245.313 3.920 10 0 BHAERO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)o1)CC(F)F ZINC000660256321 411560954 /nfs/dbraw/zinc/56/09/54/411560954.db2.gz HQKYDDGLRJBPFY-QWRGUYRKSA-N 1 0 245.313 3.920 10 0 BHAERO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)o1)CC(F)F ZINC000660256322 411560840 /nfs/dbraw/zinc/56/08/40/411560840.db2.gz HQKYDDGLRJBPFY-WDEREUQCSA-N 1 0 245.313 3.920 10 0 BHAERO CSc1cccc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000660641217 411611260 /nfs/dbraw/zinc/61/12/60/411611260.db2.gz XLCVAHCURNIMEZ-UHFFFAOYSA-N 1 0 235.396 3.687 10 0 BHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCC1CCC1 ZINC000660649746 411612770 /nfs/dbraw/zinc/61/27/70/411612770.db2.gz MZAWVYABZDZKTL-HNNXBMFYSA-N 1 0 245.366 3.549 10 0 BHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCC1CCC1 ZINC000660649747 411612605 /nfs/dbraw/zinc/61/26/05/411612605.db2.gz MZAWVYABZDZKTL-OAHLLOKOSA-N 1 0 245.366 3.549 10 0 BHAERO CC[C@@H](C[NH2+]C1(C2CCC2)CCC1)CC(F)F ZINC000660777301 411625336 /nfs/dbraw/zinc/62/53/36/411625336.db2.gz BIGDMHZHZJZKPC-LLVKDONJSA-N 1 0 245.357 3.980 10 0 BHAERO CC[C@H](C[NH2+]C1(C2CCC2)CCC1)CC(F)F ZINC000660777302 411626334 /nfs/dbraw/zinc/62/63/34/411626334.db2.gz BIGDMHZHZJZKPC-NSHDSACASA-N 1 0 245.357 3.980 10 0 BHAERO CC(C)=CCC[NH2+]C1(C2CCC2)CCC1 ZINC000660780125 411628449 /nfs/dbraw/zinc/62/84/49/411628449.db2.gz YHWAVXXUCMNXFW-UHFFFAOYSA-N 1 0 207.361 3.655 10 0 BHAERO CSc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000660904790 411667360 /nfs/dbraw/zinc/66/73/60/411667360.db2.gz ULBNHILURNHIHF-NWANDNLSSA-N 1 0 247.407 3.687 10 0 BHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660907633 411666987 /nfs/dbraw/zinc/66/69/87/411666987.db2.gz FPKFZYCAZQFOGD-NEPJUHHUSA-N 1 0 247.304 3.663 10 0 BHAERO CC(C)CC1([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000662066376 411355423 /nfs/dbraw/zinc/35/54/23/411355423.db2.gz KISDYKLFEQXBGG-GFCCVEGCSA-N 1 0 245.357 3.980 10 0 BHAERO CC(C)CC1([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000662066377 411355485 /nfs/dbraw/zinc/35/54/85/411355485.db2.gz KISDYKLFEQXBGG-LBPRGKRZSA-N 1 0 245.357 3.980 10 0 BHAERO Cc1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1Cl ZINC000669379814 537982055 /nfs/dbraw/zinc/98/20/55/537982055.db2.gz HGVKGRKOFSUCTL-GWCFXTLKSA-N 1 0 223.747 3.852 10 0 BHAERO Cc1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1Cl ZINC000669379815 537982148 /nfs/dbraw/zinc/98/21/48/537982148.db2.gz HGVKGRKOFSUCTL-GXFFZTMASA-N 1 0 223.747 3.852 10 0 BHAERO Cc1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1Cl ZINC000669379816 537982692 /nfs/dbraw/zinc/98/26/92/537982692.db2.gz HGVKGRKOFSUCTL-MFKMUULPSA-N 1 0 223.747 3.852 10 0 BHAERO Cc1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1Cl ZINC000669379818 537983205 /nfs/dbraw/zinc/98/32/05/537983205.db2.gz HGVKGRKOFSUCTL-ZWNOBZJWSA-N 1 0 223.747 3.852 10 0 BHAERO CCc1nc(C[NH2+]C(CC)CC)sc1CC ZINC000669382354 538001127 /nfs/dbraw/zinc/00/11/27/538001127.db2.gz KORNDAOMCFHYJQ-UHFFFAOYSA-N 1 0 240.416 3.546 10 0 BHAERO CCC(C)(C)[NH2+]Cc1ccc(CSC)cc1 ZINC000669382815 538004391 /nfs/dbraw/zinc/00/43/91/538004391.db2.gz DNYAKGDLTKCZAT-UHFFFAOYSA-N 1 0 237.412 3.828 10 0 BHAERO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1 ZINC000669382931 538005152 /nfs/dbraw/zinc/00/51/52/538005152.db2.gz PEZTZVJOTPNJTN-CYUUQNCZSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000669382932 538004033 /nfs/dbraw/zinc/00/40/33/538004033.db2.gz PEZTZVJOTPNJTN-MXAVVETBSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000669382933 538005746 /nfs/dbraw/zinc/00/57/46/538005746.db2.gz PEZTZVJOTPNJTN-UNQGMJICSA-N 1 0 215.340 3.526 10 0 BHAERO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1 ZINC000669382934 538004684 /nfs/dbraw/zinc/00/46/84/538004684.db2.gz PEZTZVJOTPNJTN-UQOMUDLDSA-N 1 0 215.340 3.526 10 0 BHAERO CCc1nc(C[NH2+]C(C)(C)CC)sc1CC ZINC000669383697 538010947 /nfs/dbraw/zinc/01/09/47/538010947.db2.gz XFIGTJPBFFKLHT-UHFFFAOYSA-N 1 0 240.416 3.546 10 0 BHAERO CC[C@@H](C)c1cc(C[NH3+])c(C2CCC2)o1 ZINC000675052766 537860655 /nfs/dbraw/zinc/86/06/55/537860655.db2.gz DYXFFIWKZGBSNR-SECBINFHSA-N 1 0 207.317 3.519 10 0 BHAERO CC[C@H](C)c1cc(C[NH3+])c(C2CCC2)o1 ZINC000675052767 537860317 /nfs/dbraw/zinc/86/03/17/537860317.db2.gz DYXFFIWKZGBSNR-VIFPVBQESA-N 1 0 207.317 3.519 10 0 BHAERO CCC(C)(C)c1cc(C[NH3+])c(C2CCC2)o1 ZINC000675053094 636312488 /nfs/dbraw/zinc/31/24/88/636312488.db2.gz FSGHTFREXCPDMH-UHFFFAOYSA-N 1 0 221.344 3.693 10 0 BHAERO CC(C)c1oc(C2CCCC2)cc1C[NH3+] ZINC000675053184 583919743 /nfs/dbraw/zinc/91/97/43/583919743.db2.gz HIXVLXNIXBTHRL-UHFFFAOYSA-N 1 0 207.317 3.519 10 0 BHAERO CC[C@@H](C)c1cc(C[NH3+])c(C(C)(C)C)o1 ZINC000675053496 537864282 /nfs/dbraw/zinc/86/42/82/537864282.db2.gz HQFTYJFNRMURPD-SECBINFHSA-N 1 0 209.333 3.549 10 0 BHAERO CC[C@H](C)c1cc(C[NH3+])c(C(C)(C)C)o1 ZINC000675053497 537865966 /nfs/dbraw/zinc/86/59/66/537865966.db2.gz HQFTYJFNRMURPD-VIFPVBQESA-N 1 0 209.333 3.549 10 0 BHAERO CC(C)c1oc(C2CCCCC2)cc1C[NH3+] ZINC000675055141 537985185 /nfs/dbraw/zinc/98/51/85/537985185.db2.gz QGTHPIHDGDHTPA-UHFFFAOYSA-N 1 0 221.344 3.909 10 0 BHAERO CCC(C)(C)c1cc(C[NH3+])c(C(C)C)o1 ZINC000675055164 537987027 /nfs/dbraw/zinc/98/70/27/537987027.db2.gz QPJQFSWBSZVHDQ-UHFFFAOYSA-N 1 0 209.333 3.549 10 0 BHAERO CC(C)(C)c1oc(C2CCCC2)cc1C[NH3+] ZINC000675055514 538475950 /nfs/dbraw/zinc/47/59/50/538475950.db2.gz USEDNLNKOOYPJM-UHFFFAOYSA-N 1 0 221.344 3.693 10 0 BHAERO [NH3+]Cc1cc(C2CCCC2)oc1C1CCC1 ZINC000675055564 538475884 /nfs/dbraw/zinc/47/58/84/538475884.db2.gz VEHMLRSLYGOKGH-UHFFFAOYSA-N 1 0 219.328 3.663 10 0 BHAERO CCC(C)(C)c1cc(C[NH3+])c(C(C)(C)C)o1 ZINC000675055652 538476310 /nfs/dbraw/zinc/47/63/10/538476310.db2.gz WCWWDSBNQYPLAT-UHFFFAOYSA-N 1 0 223.360 3.723 10 0 BHAERO CCCc1oc(C2CCCCC2)cc1C[NH3+] ZINC000675055738 538476518 /nfs/dbraw/zinc/47/65/18/538476518.db2.gz XDSKXQKIWMPECX-UHFFFAOYSA-N 1 0 221.344 3.739 10 0 BHAERO [NH3+]Cc1cc(C2CCCCC2)oc1C(F)F ZINC000675055787 538476500 /nfs/dbraw/zinc/47/65/00/538476500.db2.gz YEQKPUQGGHDEMI-UHFFFAOYSA-N 1 0 229.270 3.724 10 0 BHAERO CCC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC000675055967 538477234 /nfs/dbraw/zinc/47/72/34/538477234.db2.gz FMROEMCOVQCMGU-UHFFFAOYSA-N 1 0 219.319 3.590 10 0 BHAERO CCOc1ccc([C@H](C)[NH2+]C(CC)CC)o1 ZINC000675057080 538479076 /nfs/dbraw/zinc/47/90/76/538479076.db2.gz VHCGQDUCZBFSHS-JTQLQIEISA-N 1 0 225.332 3.518 10 0 BHAERO CCOc1ccc([C@@H](C)[NH2+]C(CC)CC)o1 ZINC000675057081 538478884 /nfs/dbraw/zinc/47/88/84/538478884.db2.gz VHCGQDUCZBFSHS-SNVBAGLBSA-N 1 0 225.332 3.518 10 0 BHAERO CCOc1ccc([C@H](C)[NH2+]C(C)(C)CC)o1 ZINC000675057210 541462999 /nfs/dbraw/zinc/46/29/99/541462999.db2.gz YLECFZPFVJEDKZ-JTQLQIEISA-N 1 0 225.332 3.518 10 0 BHAERO CCOc1ccc([C@@H](C)[NH2+]C(C)(C)CC)o1 ZINC000675057211 541462881 /nfs/dbraw/zinc/46/28/81/541462881.db2.gz YLECFZPFVJEDKZ-SNVBAGLBSA-N 1 0 225.332 3.518 10 0 BHAERO C[C@H]([NH2+]C1CCC1)C1C2CC3CC(C2)CC1C3 ZINC000675057435 538479778 /nfs/dbraw/zinc/47/97/78/538479778.db2.gz BGVJYUGOUZXLQL-BSTQEOMGSA-N 1 0 233.399 3.589 10 0 BHAERO C[C@@H]([NH2+]C1CCC1)C1C2CC3CC(C2)CC1C3 ZINC000675057437 538479736 /nfs/dbraw/zinc/47/97/36/538479736.db2.gz BGVJYUGOUZXLQL-YVWFZZAJSA-N 1 0 233.399 3.589 10 0 BHAERO CC[C@H](C)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057543 538479740 /nfs/dbraw/zinc/47/97/40/538479740.db2.gz FAVIWJNUEGCPBJ-GIGZUATISA-N 1 0 235.415 3.835 10 0 BHAERO CC[C@@H](C)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057545 538479995 /nfs/dbraw/zinc/47/99/95/538479995.db2.gz FAVIWJNUEGCPBJ-GVGOCWFNSA-N 1 0 235.415 3.835 10 0 BHAERO CC[C@@H](C)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057546 538479745 /nfs/dbraw/zinc/47/97/45/538479745.db2.gz FAVIWJNUEGCPBJ-JBBLNQKSSA-N 1 0 235.415 3.835 10 0 BHAERO CC[C@H](C)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057547 538480193 /nfs/dbraw/zinc/48/01/93/538480193.db2.gz FAVIWJNUEGCPBJ-LRGVGNOESA-N 1 0 235.415 3.835 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc2ccc(O)cc2c1 ZINC000675058186 538481361 /nfs/dbraw/zinc/48/13/61/538481361.db2.gz VUNHCSDWFXBUNQ-HNNXBMFYSA-N 1 0 229.323 3.591 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc2ccc(O)cc2c1 ZINC000675058187 538481768 /nfs/dbraw/zinc/48/17/68/538481768.db2.gz VUNHCSDWFXBUNQ-OAHLLOKOSA-N 1 0 229.323 3.591 10 0 BHAERO CCCC1CCC([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059205 538483954 /nfs/dbraw/zinc/48/39/54/538483954.db2.gz DDBHWHFUJKBTKE-PPWQZUPISA-N 1 0 223.404 3.839 10 0 BHAERO CCCC1CCC([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059206 538483924 /nfs/dbraw/zinc/48/39/24/538483924.db2.gz DDBHWHFUJKBTKE-URGYJCLVSA-N 1 0 223.404 3.839 10 0 BHAERO CCCC1CCC([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059207 538484509 /nfs/dbraw/zinc/48/45/09/538484509.db2.gz DDBHWHFUJKBTKE-VXGQWTEUSA-N 1 0 223.404 3.839 10 0 BHAERO CCCC1CCC([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059208 538484602 /nfs/dbraw/zinc/48/46/02/538484602.db2.gz DDBHWHFUJKBTKE-XSCHDIRWSA-N 1 0 223.404 3.839 10 0 BHAERO CC(C)C1CCC([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059428 538484574 /nfs/dbraw/zinc/48/45/74/538484574.db2.gz IGGUNHYWVFPWCU-PPWQZUPISA-N 1 0 223.404 3.694 10 0 BHAERO CC(C)C1CCC([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059429 538484269 /nfs/dbraw/zinc/48/42/69/538484269.db2.gz IGGUNHYWVFPWCU-URGYJCLVSA-N 1 0 223.404 3.694 10 0 BHAERO CC(C)C1CCC([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059430 538484519 /nfs/dbraw/zinc/48/45/19/538484519.db2.gz IGGUNHYWVFPWCU-VXGQWTEUSA-N 1 0 223.404 3.694 10 0 BHAERO CC(C)C1CCC([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059431 538483984 /nfs/dbraw/zinc/48/39/84/538483984.db2.gz IGGUNHYWVFPWCU-XSCHDIRWSA-N 1 0 223.404 3.694 10 0 BHAERO CCCC1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000675059572 538484301 /nfs/dbraw/zinc/48/43/01/538484301.db2.gz JIPXEYGKGOAXNR-JXQTWKCFSA-N 1 0 209.377 3.593 10 0 BHAERO CCCC1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000675059573 538484599 /nfs/dbraw/zinc/48/45/99/538484599.db2.gz JIPXEYGKGOAXNR-RUXDESIVSA-N 1 0 209.377 3.593 10 0 BHAERO CC1(C)CC([C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675060293 538485790 /nfs/dbraw/zinc/48/57/90/538485790.db2.gz VQYSAQXHRVGVCM-GFCCVEGCSA-N 1 0 223.404 3.839 10 0 BHAERO CC1(C)CC([C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675060294 538486349 /nfs/dbraw/zinc/48/63/49/538486349.db2.gz VQYSAQXHRVGVCM-LBPRGKRZSA-N 1 0 223.404 3.839 10 0 BHAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000675060343 538486110 /nfs/dbraw/zinc/48/61/10/538486110.db2.gz XJSDONVKNMCLOQ-IGQOVBAYSA-N 1 0 223.404 3.694 10 0 BHAERO C[C@@H]1C[NH2+]C[C@H]([C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000675060345 538485898 /nfs/dbraw/zinc/48/58/98/538485898.db2.gz XJSDONVKNMCLOQ-XDQVBPFNSA-N 1 0 223.404 3.694 10 0 BHAERO C[C@@H]1C[C@@H]([C@H]2C[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000675060347 538486015 /nfs/dbraw/zinc/48/60/15/538486015.db2.gz XJSDONVKNMCLOQ-XJFOESAGSA-N 1 0 223.404 3.694 10 0 BHAERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000675060349 538486308 /nfs/dbraw/zinc/48/63/08/538486308.db2.gz XJSDONVKNMCLOQ-ZOBORPQBSA-N 1 0 223.404 3.694 10 0 BHAERO CCC1(C)CC[NH+](CCCC(=O)C(C)C)CC1 ZINC000675075940 538510663 /nfs/dbraw/zinc/51/06/63/538510663.db2.gz XIDYMOYZLHHLDS-UHFFFAOYSA-N 1 0 239.403 3.504 10 0 BHAERO CC(C)c1csc(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000675078839 538516611 /nfs/dbraw/zinc/51/66/11/538516611.db2.gz ACOWPNRGOZNUPD-JTQLQIEISA-N 1 0 246.379 3.953 10 0 BHAERO CC(C)c1csc(-c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000675078842 538516861 /nfs/dbraw/zinc/51/68/61/538516861.db2.gz ACOWPNRGOZNUPD-SNVBAGLBSA-N 1 0 246.379 3.953 10 0 BHAERO Cc1ccc2cc([C@H]([NH3+])C(C)(C)C)oc2c1 ZINC000675080240 538519398 /nfs/dbraw/zinc/51/93/98/538519398.db2.gz AAVDNXYJPBXQNL-ZDUSSCGKSA-N 1 0 217.312 3.787 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cc(C)c(C)cc2o1 ZINC000675080252 538519229 /nfs/dbraw/zinc/51/92/29/538519229.db2.gz AKDXMCYRDUVCKB-GFCCVEGCSA-N 1 0 217.312 3.850 10 0 BHAERO Cc1cccc2oc([C@@H]([NH3+])C(C)(C)C)cc21 ZINC000675080400 538520414 /nfs/dbraw/zinc/52/04/14/538520414.db2.gz DFCJGVBAVIROSX-CYBMUJFWSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cccc2oc([C@H]([NH3+])C(C)(C)C)cc21 ZINC000675080401 538520049 /nfs/dbraw/zinc/52/00/49/538520049.db2.gz DFCJGVBAVIROSX-ZDUSSCGKSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081046 538520004 /nfs/dbraw/zinc/52/00/04/538520004.db2.gz DQYOLSDFFQMDDD-LKFCYVNXSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081047 538520819 /nfs/dbraw/zinc/52/08/19/538520819.db2.gz DQYOLSDFFQMDDD-OTYXRUKQSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081048 538520407 /nfs/dbraw/zinc/52/04/07/538520407.db2.gz DQYOLSDFFQMDDD-XPTSAGLGSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081049 538520584 /nfs/dbraw/zinc/52/05/84/538520584.db2.gz DQYOLSDFFQMDDD-YMTOWFKASA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cc2cc([C@@H]([NH3+])C(C)C)oc2cc1C ZINC000675081096 538521614 /nfs/dbraw/zinc/52/16/14/538521614.db2.gz GNEHXSZMLXJFLE-AWEZNQCLSA-N 1 0 217.312 3.705 10 0 BHAERO Cc1cc2cc([C@H]([NH3+])C(C)C)oc2cc1C ZINC000675081097 538521438 /nfs/dbraw/zinc/52/14/38/538521438.db2.gz GNEHXSZMLXJFLE-CQSZACIVSA-N 1 0 217.312 3.705 10 0 BHAERO CC(C)[C@@H]([NH3+])c1cc2c(ccc(Cl)c2F)o1 ZINC000675081158 538521661 /nfs/dbraw/zinc/52/16/61/538521661.db2.gz KGCWSWDVFNBGCQ-GFCCVEGCSA-N 1 0 241.693 3.881 10 0 BHAERO CC(C)[C@H]([NH3+])c1cc2c(ccc(Cl)c2F)o1 ZINC000675081159 538521470 /nfs/dbraw/zinc/52/14/70/538521470.db2.gz KGCWSWDVFNBGCQ-LBPRGKRZSA-N 1 0 241.693 3.881 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081167 538521623 /nfs/dbraw/zinc/52/16/23/538521623.db2.gz KLXXIYNZBKLNPL-GFCCVEGCSA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081168 538521274 /nfs/dbraw/zinc/52/12/74/538521274.db2.gz KLXXIYNZBKLNPL-LBPRGKRZSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081192 538522737 /nfs/dbraw/zinc/52/27/37/538522737.db2.gz LFYRDQTZLSORRH-AMIZOPFISA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081193 538522299 /nfs/dbraw/zinc/52/22/99/538522299.db2.gz LFYRDQTZLSORRH-ISVAXAHUSA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081194 538522501 /nfs/dbraw/zinc/52/25/01/538522501.db2.gz LFYRDQTZLSORRH-OQPBUACISA-N 1 0 221.275 3.618 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081195 538522620 /nfs/dbraw/zinc/52/26/20/538522620.db2.gz LFYRDQTZLSORRH-SDBXPKJASA-N 1 0 221.275 3.618 10 0 BHAERO Cc1cccc2oc([C@H]([NH3+])CC3CC3)cc21 ZINC000675081241 538521780 /nfs/dbraw/zinc/52/17/80/538521780.db2.gz NTMPPTYZPBCWKP-GFCCVEGCSA-N 1 0 215.296 3.541 10 0 BHAERO Cc1cccc2oc([C@@H]([NH3+])CC3CC3)cc21 ZINC000675081242 538521148 /nfs/dbraw/zinc/52/11/48/538521148.db2.gz NTMPPTYZPBCWKP-LBPRGKRZSA-N 1 0 215.296 3.541 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081257 538521185 /nfs/dbraw/zinc/52/11/85/538521185.db2.gz OKNNSNUJZOVMJO-HZMBPMFUSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081258 538521465 /nfs/dbraw/zinc/52/14/65/538521465.db2.gz OKNNSNUJZOVMJO-IINYFYTJSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081259 583200757 /nfs/dbraw/zinc/20/07/57/583200757.db2.gz OKNNSNUJZOVMJO-QMTHXVAHSA-N 1 0 217.312 3.787 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081260 538521533 /nfs/dbraw/zinc/52/15/33/538521533.db2.gz OKNNSNUJZOVMJO-YGRLFVJLSA-N 1 0 217.312 3.787 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081322 538521628 /nfs/dbraw/zinc/52/16/28/538521628.db2.gz QWNOGBVIJXQQNS-LLVKDONJSA-N 1 0 203.285 3.541 10 0 BHAERO CCC[C@H]([NH3+])c1cc2ccc(C)cc2o1 ZINC000675081323 538521715 /nfs/dbraw/zinc/52/17/15/538521715.db2.gz QWNOGBVIJXQQNS-NSHDSACASA-N 1 0 203.285 3.541 10 0 BHAERO Cc1ccc2cc([C@H]([NH3+])CC3CC3)oc2c1 ZINC000675081560 538522777 /nfs/dbraw/zinc/52/27/77/538522777.db2.gz SUBCXNJVPNHVPR-GFCCVEGCSA-N 1 0 215.296 3.541 10 0 BHAERO Cc1ccc2cc([C@@H]([NH3+])CC3CC3)oc2c1 ZINC000675081561 538522238 /nfs/dbraw/zinc/52/22/38/538522238.db2.gz SUBCXNJVPNHVPR-LBPRGKRZSA-N 1 0 215.296 3.541 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081588 538522215 /nfs/dbraw/zinc/52/22/15/538522215.db2.gz UTCZRCQTIQHWGN-LLVKDONJSA-N 1 0 221.275 3.618 10 0 BHAERO CC(C)C[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081589 538522565 /nfs/dbraw/zinc/52/25/65/538522565.db2.gz UTCZRCQTIQHWGN-NSHDSACASA-N 1 0 221.275 3.618 10 0 BHAERO [NH3+][C@H](CC1CC1)c1cc2c(cccc2Cl)o1 ZINC000675081621 538522234 /nfs/dbraw/zinc/52/22/34/538522234.db2.gz VYWUKAJWUBVWCA-LLVKDONJSA-N 1 0 235.714 3.886 10 0 BHAERO [NH3+][C@@H](CC1CC1)c1cc2c(cccc2Cl)o1 ZINC000675081622 538522585 /nfs/dbraw/zinc/52/25/85/538522585.db2.gz VYWUKAJWUBVWCA-NSHDSACASA-N 1 0 235.714 3.886 10 0 BHAERO CCC[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000675081635 538522251 /nfs/dbraw/zinc/52/22/51/538522251.db2.gz WIOMGTYLTIIBBK-JTQLQIEISA-N 1 0 223.703 3.886 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000675081637 538522318 /nfs/dbraw/zinc/52/23/18/538522318.db2.gz WIOMGTYLTIIBBK-SNVBAGLBSA-N 1 0 223.703 3.886 10 0 BHAERO Cc1ccc2cc([C@H]([NH3+])CC(C)C)oc2c1 ZINC000675081869 538523368 /nfs/dbraw/zinc/52/33/68/538523368.db2.gz XSFONJCRJXHGOH-GFCCVEGCSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1ccc2cc([C@@H]([NH3+])CC(C)C)oc2c1 ZINC000675081870 538523389 /nfs/dbraw/zinc/52/33/89/538523389.db2.gz XSFONJCRJXHGOH-LBPRGKRZSA-N 1 0 217.312 3.787 10 0 BHAERO CCC[C@H]([NH3+])c1cc2cc(F)c(F)cc2o1 ZINC000675081877 538523229 /nfs/dbraw/zinc/52/32/29/538523229.db2.gz YCGWQZISGCVPOZ-JTQLQIEISA-N 1 0 225.238 3.511 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2cc(F)c(F)cc2o1 ZINC000675081878 538523302 /nfs/dbraw/zinc/52/33/02/538523302.db2.gz YCGWQZISGCVPOZ-SNVBAGLBSA-N 1 0 225.238 3.511 10 0 BHAERO CCC[C@@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081910 538522398 /nfs/dbraw/zinc/52/23/98/538522398.db2.gz ZLKWJOIKTJGHDQ-LLVKDONJSA-N 1 0 203.285 3.541 10 0 BHAERO CCC[C@H]([NH3+])c1cc2c(cccc2C)o1 ZINC000675081911 538522249 /nfs/dbraw/zinc/52/22/49/538522249.db2.gz ZLKWJOIKTJGHDQ-NSHDSACASA-N 1 0 203.285 3.541 10 0 BHAERO Cc1cccc2oc([C@H]([NH3+])CC(C)C)cc21 ZINC000675081912 538522685 /nfs/dbraw/zinc/52/26/85/538522685.db2.gz ZMFHGELGWFLJJC-GFCCVEGCSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1cccc2oc([C@@H]([NH3+])CC(C)C)cc21 ZINC000675081913 538522532 /nfs/dbraw/zinc/52/25/32/538522532.db2.gz ZMFHGELGWFLJJC-LBPRGKRZSA-N 1 0 217.312 3.787 10 0 BHAERO Cc1ccc(CC[NH2+]CC2CCC(C)CC2)o1 ZINC000677878028 488144607 /nfs/dbraw/zinc/14/46/07/488144607.db2.gz KKMQIXMZASVKLR-UHFFFAOYSA-N 1 0 235.371 3.546 10 0 BHAERO C[C@@H]([NH2+]C1CSC1)c1ccc2ccccc2c1 ZINC000679624832 488359990 /nfs/dbraw/zinc/35/99/90/488359990.db2.gz JIJJSAZFRMWVEW-LLVKDONJSA-N 1 0 243.375 3.606 10 0 BHAERO C[C@H]([NH2+]C1CSC1)c1ccc2ccccc2c1 ZINC000679624844 488359976 /nfs/dbraw/zinc/35/99/76/488359976.db2.gz JIJJSAZFRMWVEW-NSHDSACASA-N 1 0 243.375 3.606 10 0 BHAERO CC(C)C[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685946552 538885746 /nfs/dbraw/zinc/88/57/46/538885746.db2.gz AQYDOEGOHVZEJX-UHFFFAOYSA-N 1 0 237.290 3.513 10 0 BHAERO C[C@H]1CCC[C@@H](c2cccc3occc32)[NH2+]1 ZINC000685946817 538888356 /nfs/dbraw/zinc/88/83/56/538888356.db2.gz CFGKBNBTECTLAY-GWCFXTLKSA-N 1 0 215.296 3.636 10 0 BHAERO C[C@H]1CCC[C@H](c2cccc3occc32)[NH2+]1 ZINC000685946820 538888301 /nfs/dbraw/zinc/88/83/01/538888301.db2.gz CFGKBNBTECTLAY-GXFFZTMASA-N 1 0 215.296 3.636 10 0 BHAERO C[C@@H]1CCC[C@@H](c2cccc3occc32)[NH2+]1 ZINC000685946821 538887917 /nfs/dbraw/zinc/88/79/17/538887917.db2.gz CFGKBNBTECTLAY-MFKMUULPSA-N 1 0 215.296 3.636 10 0 BHAERO C[C@@H]1CCC[C@H](c2cccc3occc32)[NH2+]1 ZINC000685946822 538887979 /nfs/dbraw/zinc/88/79/79/538887979.db2.gz CFGKBNBTECTLAY-ZWNOBZJWSA-N 1 0 215.296 3.636 10 0 BHAERO CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947187 538888722 /nfs/dbraw/zinc/88/87/22/538888722.db2.gz FTUWXNKFAARMAE-SSDOTTSWSA-N 1 0 237.290 3.655 10 0 BHAERO CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947189 538889037 /nfs/dbraw/zinc/88/90/37/538889037.db2.gz FTUWXNKFAARMAE-ZETCQYMHSA-N 1 0 237.290 3.655 10 0 BHAERO CC(C)(C)[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947709 538889502 /nfs/dbraw/zinc/88/95/02/538889502.db2.gz OFUHTJYHHOQEPN-UHFFFAOYSA-N 1 0 237.290 3.655 10 0 BHAERO CCCC[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947953 538889604 /nfs/dbraw/zinc/88/96/04/538889604.db2.gz UMLOGNDCWZPHPV-UHFFFAOYSA-N 1 0 237.290 3.657 10 0 BHAERO CCC(C)(CC)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685958534 538905806 /nfs/dbraw/zinc/90/58/06/538905806.db2.gz KMGZRBPBWLKNQD-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CC(C)(C)CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960429 538907460 /nfs/dbraw/zinc/90/74/60/538907460.db2.gz LIMOUVYJEMZOPR-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CCC(CC)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960536 538907473 /nfs/dbraw/zinc/90/74/73/538907473.db2.gz PNMRUXZKDFEFJH-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CCCCCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960542 538907456 /nfs/dbraw/zinc/90/74/56/538907456.db2.gz PWMVQMANZWWVEE-UHFFFAOYSA-N 1 0 247.382 3.706 10 0 BHAERO CCC(C)(C)CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960553 538907486 /nfs/dbraw/zinc/90/74/86/538907486.db2.gz RGXNYAUQOQBGBW-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CCC[C@H](C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960576 538907801 /nfs/dbraw/zinc/90/78/01/538907801.db2.gz SFFSHFOMYCCROW-AWEZNQCLSA-N 1 0 247.382 3.562 10 0 BHAERO CCC[C@@H](C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960577 538907524 /nfs/dbraw/zinc/90/75/24/538907524.db2.gz SFFSHFOMYCCROW-CQSZACIVSA-N 1 0 247.382 3.562 10 0 BHAERO CC(C)CCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960637 538907502 /nfs/dbraw/zinc/90/75/02/538907502.db2.gz VVXKLDDUTPSFTC-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CC(C)(C)CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960669 538907476 /nfs/dbraw/zinc/90/74/76/538907476.db2.gz XTRAYLVJGPFQIQ-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO CCC(C)(C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685961992 538908980 /nfs/dbraw/zinc/90/89/80/538908980.db2.gz QUIZNEFQRYBJEL-UHFFFAOYSA-N 1 0 247.382 3.562 10 0 BHAERO C=C(OCC)c1ccc([C@@H](C)[NH2+]C)c(Cl)c1 ZINC000685964993 538911298 /nfs/dbraw/zinc/91/12/98/538911298.db2.gz JZBMPAURYRVOPO-SECBINFHSA-N 1 0 239.746 3.628 10 0 BHAERO C=C(OCC)c1ccc([C@H](C)[NH2+]C)c(Cl)c1 ZINC000685964994 538911541 /nfs/dbraw/zinc/91/15/41/538911541.db2.gz JZBMPAURYRVOPO-VIFPVBQESA-N 1 0 239.746 3.628 10 0 BHAERO CC(F)(F)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000700354071 711989803 /nfs/dbraw/zinc/98/98/03/711989803.db2.gz BPTSWZJSYBZZCB-UHFFFAOYSA-N 1 0 241.325 3.500 10 0 BHAERO CC(C)CCC[C@H]1[NH2+]CCc2sccc21 ZINC000703995759 633046611 /nfs/dbraw/zinc/04/66/11/633046611.db2.gz QOOJTLSLALWHSH-GFCCVEGCSA-N 1 0 223.385 3.761 10 0 BHAERO CC(C)CCC[C@@H]1[NH2+]CCc2sccc21 ZINC000703995760 633046073 /nfs/dbraw/zinc/04/60/73/633046073.db2.gz QOOJTLSLALWHSH-LBPRGKRZSA-N 1 0 223.385 3.761 10 0 BHAERO CCC[C@@H]([NH2+]CC1CC(OC)C1)c1ccccc1 ZINC000705611553 712133303 /nfs/dbraw/zinc/13/33/03/712133303.db2.gz KCEJOZVXZSWKEH-AVVWSFFYSA-N 1 0 247.382 3.542 10 0 BHAERO CCC[C@H]([NH2+]CC1CC(OC)C1)c1ccccc1 ZINC000705611554 712133487 /nfs/dbraw/zinc/13/34/87/712133487.db2.gz KCEJOZVXZSWKEH-BCLQGDPASA-N 1 0 247.382 3.542 10 0 BHAERO CC[C@H]([NH2+]C1CC(SC)C1)c1cccs1 ZINC000706913972 712158391 /nfs/dbraw/zinc/15/83/91/712158391.db2.gz AKOUBAJPDUINFX-ILDUYXDCSA-N 1 0 241.425 3.683 10 0 BHAERO CC[C@@H]([NH2+]C1CC(SC)C1)c1cccs1 ZINC000706913976 712158356 /nfs/dbraw/zinc/15/83/56/712158356.db2.gz AKOUBAJPDUINFX-VQXHTEKXSA-N 1 0 241.425 3.683 10 0 BHAERO CSC1CC([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000708247452 712184887 /nfs/dbraw/zinc/18/48/87/712184887.db2.gz FPKSJCZWWBKEJP-GCVQQVDUSA-N 1 0 241.425 3.601 10 0 BHAERO CSC1CC([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000708247455 712184781 /nfs/dbraw/zinc/18/47/81/712184781.db2.gz FPKSJCZWWBKEJP-OIKLOGQESA-N 1 0 241.425 3.601 10 0 BHAERO CC[C@@H]([NH2+]C1CC(SC)C1)c1ccsc1 ZINC000708257131 712184580 /nfs/dbraw/zinc/18/45/80/712184580.db2.gz KCWZQQAGEFQXMQ-HTAVTVPLSA-N 1 0 241.425 3.683 10 0 BHAERO CC[C@H]([NH2+]C1CC(SC)C1)c1ccsc1 ZINC000708257133 712184686 /nfs/dbraw/zinc/18/46/86/712184686.db2.gz KCWZQQAGEFQXMQ-MCIGGMRASA-N 1 0 241.425 3.683 10 0 BHAERO CSC1CC([NH2+][C@H](C)c2sccc2C)C1 ZINC000708267273 712184897 /nfs/dbraw/zinc/18/48/97/712184897.db2.gz WVIWYQWPTPWBNY-KPPDAEKUSA-N 1 0 241.425 3.601 10 0 BHAERO CSC1CC([NH2+][C@@H](C)c2sccc2C)C1 ZINC000708267274 712185127 /nfs/dbraw/zinc/18/51/27/712185127.db2.gz WVIWYQWPTPWBNY-WHXUTIOJSA-N 1 0 241.425 3.601 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CC(C)(C)C)o1 ZINC000709103679 712208842 /nfs/dbraw/zinc/20/88/42/712208842.db2.gz JFBYYUOCLCTFAZ-CMPLNLGQSA-N 1 0 238.375 3.706 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CC(C)(C)C)o1 ZINC000709103692 712208863 /nfs/dbraw/zinc/20/88/63/712208863.db2.gz JFBYYUOCLCTFAZ-JQWIXIFHSA-N 1 0 238.375 3.706 10 0 BHAERO Cc1cnc([C@H](C)[NH2+]C[C@H](C)CC(C)(C)C)o1 ZINC000709103696 712208889 /nfs/dbraw/zinc/20/88/89/712208889.db2.gz JFBYYUOCLCTFAZ-PWSUYJOCSA-N 1 0 238.375 3.706 10 0 BHAERO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CC(C)(C)C)o1 ZINC000709103701 712208738 /nfs/dbraw/zinc/20/87/38/712208738.db2.gz JFBYYUOCLCTFAZ-ZYHUDNBSSA-N 1 0 238.375 3.706 10 0 BHAERO C[C@@]1(CC2CCCC2)[NH2+]CCc2sccc21 ZINC000709733965 539027489 /nfs/dbraw/zinc/02/74/89/539027489.db2.gz BWNVWBWNOURTRF-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@]1(CC2CCCC2)[NH2+]CCc2sccc21 ZINC000709733966 539027541 /nfs/dbraw/zinc/02/75/41/539027541.db2.gz BWNVWBWNOURTRF-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO CCCCCC[C@]1(C)[NH2+]CCc2occc21 ZINC000709996584 539027678 /nfs/dbraw/zinc/02/76/78/539027678.db2.gz KJLAKIKCJLEJOW-AWEZNQCLSA-N 1 0 221.344 3.611 10 0 BHAERO CCCCCC[C@@]1(C)[NH2+]CCc2occc21 ZINC000709996588 539027788 /nfs/dbraw/zinc/02/77/88/539027788.db2.gz KJLAKIKCJLEJOW-CQSZACIVSA-N 1 0 221.344 3.611 10 0 BHAERO C[C@@H]1CC[C@@H](C)[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501207 537787171 /nfs/dbraw/zinc/78/71/71/537787171.db2.gz VQJJJJTYNWTCHQ-GYSYKLTISA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@@H](C)[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501211 537787507 /nfs/dbraw/zinc/78/75/07/537787507.db2.gz VQJJJJTYNWTCHQ-JTNHKYCSSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@H](C)[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501215 537786916 /nfs/dbraw/zinc/78/69/16/537786916.db2.gz VQJJJJTYNWTCHQ-SUNKGSAMSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@H](C)[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501219 537788138 /nfs/dbraw/zinc/78/81/38/537788138.db2.gz VQJJJJTYNWTCHQ-UHIISALHSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@@]1(C2CCCC2)[NH2+]CCc2ccsc21 ZINC000712513659 537787851 /nfs/dbraw/zinc/78/78/51/537787851.db2.gz ROTOZCWSRHNONU-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@]1(C2CCCC2)[NH2+]CCc2ccsc21 ZINC000712513661 537786459 /nfs/dbraw/zinc/78/64/59/537786459.db2.gz ROTOZCWSRHNONU-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO CCC1([C@@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712514053 537787264 /nfs/dbraw/zinc/78/72/64/537787264.db2.gz CSBNUSSDTWDTHH-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO CCC1([C@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712514055 541307747 /nfs/dbraw/zinc/30/77/47/541307747.db2.gz CSBNUSSDTWDTHH-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CCCC1([C@@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712515293 537787698 /nfs/dbraw/zinc/78/76/98/537787698.db2.gz KGOHBCRMZKUESF-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO CCCC1([C@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712515297 537788183 /nfs/dbraw/zinc/78/81/83/537788183.db2.gz KGOHBCRMZKUESF-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO CCCC1([C@@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712516419 537790615 /nfs/dbraw/zinc/79/06/15/537790615.db2.gz UAYZABLJWOLFGX-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO CCCC1([C@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712516422 537790987 /nfs/dbraw/zinc/79/09/87/537790987.db2.gz UAYZABLJWOLFGX-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO C[C@@H]1CC[C@@]2(C[C@H]1C)[NH2+]CCc1ccsc12 ZINC000712522526 537790178 /nfs/dbraw/zinc/79/01/78/537790178.db2.gz KCXDCCHWNCLGPV-GYSYKLTISA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@]2(C[C@H]1C)[NH2+]CCc1ccsc12 ZINC000712522529 537789889 /nfs/dbraw/zinc/78/98/89/537789889.db2.gz KCXDCCHWNCLGPV-JTNHKYCSSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@@]2(C[C@@H]1C)[NH2+]CCc1ccsc12 ZINC000712522532 537790724 /nfs/dbraw/zinc/79/07/24/537790724.db2.gz KCXDCCHWNCLGPV-SUNKGSAMSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@H]1CC[C@]2(C[C@@H]1C)[NH2+]CCc1ccsc12 ZINC000712522942 537789319 /nfs/dbraw/zinc/78/93/19/537789319.db2.gz KCXDCCHWNCLGPV-UHIISALHSA-N 1 0 235.396 3.545 10 0 BHAERO C[C@@]1(CC2CCCC2)[NH2+]CCc2ccsc21 ZINC000712523783 537791094 /nfs/dbraw/zinc/79/10/94/537791094.db2.gz SSAOMMPYBWLQGH-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@]1(CC2CCCC2)[NH2+]CCc2ccsc21 ZINC000712523784 537790229 /nfs/dbraw/zinc/79/02/29/537790229.db2.gz SSAOMMPYBWLQGH-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712524286 537791086 /nfs/dbraw/zinc/79/10/86/537791086.db2.gz XHQZEOZGECGOFR-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO CC1(C)CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712524287 537790968 /nfs/dbraw/zinc/79/09/68/537790968.db2.gz XHQZEOZGECGOFR-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO CC(C)CCC[C@H]1[NH2+]CCc2ccsc21 ZINC000712526128 537788996 /nfs/dbraw/zinc/78/89/96/537788996.db2.gz BPLJFMGOBGGGSH-GFCCVEGCSA-N 1 0 223.385 3.761 10 0 BHAERO CC(C)CCC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712526132 537789118 /nfs/dbraw/zinc/78/91/18/537789118.db2.gz BPLJFMGOBGGGSH-LBPRGKRZSA-N 1 0 223.385 3.761 10 0 BHAERO CCCC[C@@]1(CC)[NH2+]CCc2ccsc21 ZINC000712526215 537789447 /nfs/dbraw/zinc/78/94/47/537789447.db2.gz HBUCQBGRPFXLGR-CYBMUJFWSA-N 1 0 223.385 3.689 10 0 BHAERO CCCC[C@]1(CC)[NH2+]CCc2ccsc21 ZINC000712526217 537790622 /nfs/dbraw/zinc/79/06/22/537790622.db2.gz HBUCQBGRPFXLGR-ZDUSSCGKSA-N 1 0 223.385 3.689 10 0 BHAERO CCc1ccc([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000712526748 537789565 /nfs/dbraw/zinc/78/95/65/537789565.db2.gz USIMXVJKQGNHDB-GFCCVEGCSA-N 1 0 249.404 3.607 10 0 BHAERO CCc1ccc([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000712526757 537790498 /nfs/dbraw/zinc/79/04/98/537790498.db2.gz USIMXVJKQGNHDB-LBPRGKRZSA-N 1 0 249.404 3.607 10 0 BHAERO Cc1cc([C@H]2[NH2+]CCc3ccsc32)c(C)s1 ZINC000712536771 537790205 /nfs/dbraw/zinc/79/02/05/537790205.db2.gz OOBRMTTXDCQQHJ-GFCCVEGCSA-N 1 0 249.404 3.662 10 0 BHAERO Cc1cc([C@@H]2[NH2+]CCc3ccsc32)c(C)s1 ZINC000712536772 537788888 /nfs/dbraw/zinc/78/88/88/537788888.db2.gz OOBRMTTXDCQQHJ-LBPRGKRZSA-N 1 0 249.404 3.662 10 0 BHAERO c1cc2c(s1)[C@@H](CC1CCCC1)[NH2+]CC2 ZINC000712537022 537789135 /nfs/dbraw/zinc/78/91/35/537789135.db2.gz WMOGKWMIXACSBN-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)[C@H](CC1CCCC1)[NH2+]CC2 ZINC000712537024 537788918 /nfs/dbraw/zinc/78/89/18/537788918.db2.gz WMOGKWMIXACSBN-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CC1([C@@H]2[NH2+]CCc3ccsc32)CCCCC1 ZINC000712541867 537791599 /nfs/dbraw/zinc/79/15/99/537791599.db2.gz GGQNLNUGSUBSRG-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO CC1([C@H]2[NH2+]CCc3ccsc32)CCCCC1 ZINC000712541868 537792930 /nfs/dbraw/zinc/79/29/30/537792930.db2.gz GGQNLNUGSUBSRG-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)[C@@H](C1CCCCCC1)[NH2+]CC2 ZINC000712542745 537793866 /nfs/dbraw/zinc/79/38/66/537793866.db2.gz OATDJVIEPWLLFU-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)[C@H](C1CCCCCC1)[NH2+]CC2 ZINC000712542746 537791429 /nfs/dbraw/zinc/79/14/29/537791429.db2.gz OATDJVIEPWLLFU-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)[C@@H](CC1CCCCC1)[NH2+]CC2 ZINC000712543062 537791775 /nfs/dbraw/zinc/79/17/75/537791775.db2.gz WHOWOGCSYXQMQC-CYBMUJFWSA-N 1 0 235.396 3.905 10 0 BHAERO c1cc2c(s1)[C@H](CC1CCCCC1)[NH2+]CC2 ZINC000712543064 537793927 /nfs/dbraw/zinc/79/39/27/537793927.db2.gz WHOWOGCSYXQMQC-ZDUSSCGKSA-N 1 0 235.396 3.905 10 0 BHAERO CC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545254 537792844 /nfs/dbraw/zinc/79/28/44/537792844.db2.gz GQBSOOVFQZWBHT-BXUZGUMPSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545255 537793231 /nfs/dbraw/zinc/79/32/31/537793231.db2.gz GQBSOOVFQZWBHT-FZMZJTMJSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545256 537791917 /nfs/dbraw/zinc/79/19/17/537791917.db2.gz GQBSOOVFQZWBHT-RISCZKNCSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545257 537792944 /nfs/dbraw/zinc/79/29/44/537792944.db2.gz GQBSOOVFQZWBHT-SMDDNHRTSA-N 1 0 235.396 3.689 10 0 BHAERO CC1([C@@H]2[NH2+]CCc3ccsc32)CCCC1 ZINC000712545373 537793488 /nfs/dbraw/zinc/79/34/88/537793488.db2.gz QNFONDCMGPCCRN-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO CC1([C@H]2[NH2+]CCc3ccsc32)CCCC1 ZINC000712545375 537792853 /nfs/dbraw/zinc/79/28/53/537792853.db2.gz QNFONDCMGPCCRN-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CC1CCC([C@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712553194 537793529 /nfs/dbraw/zinc/79/35/29/537793529.db2.gz FVSGHHBMLBJWJP-GCZXYKMCSA-N 1 0 235.396 3.761 10 0 BHAERO CC1CCC([C@@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712553195 537792531 /nfs/dbraw/zinc/79/25/31/537792531.db2.gz FVSGHHBMLBJWJP-XIVSLSHWSA-N 1 0 235.396 3.761 10 0 BHAERO CC(C)(C)CC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712553260 537792420 /nfs/dbraw/zinc/79/24/20/537792420.db2.gz NOAOWUGPIXDAMR-AWEZNQCLSA-N 1 0 237.412 3.935 10 0 BHAERO CC(C)(C)CC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712553261 537793409 /nfs/dbraw/zinc/79/34/09/537793409.db2.gz NOAOWUGPIXDAMR-CQSZACIVSA-N 1 0 237.412 3.935 10 0 BHAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712553268 537793886 /nfs/dbraw/zinc/79/38/86/537793886.db2.gz PHMJNQNMCRNRCT-BXUZGUMPSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712553269 537792805 /nfs/dbraw/zinc/79/28/05/537792805.db2.gz PHMJNQNMCRNRCT-FZMZJTMJSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712553270 537792839 /nfs/dbraw/zinc/79/28/39/537792839.db2.gz PHMJNQNMCRNRCT-RISCZKNCSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712553271 537793875 /nfs/dbraw/zinc/79/38/75/537793875.db2.gz PHMJNQNMCRNRCT-SMDDNHRTSA-N 1 0 235.396 3.689 10 0 BHAERO CC(C)C[C@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712558835 537792052 /nfs/dbraw/zinc/79/20/52/537792052.db2.gz AMEZXRAFSADMBB-CMPLNLGQSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712558836 537792802 /nfs/dbraw/zinc/79/28/02/537792802.db2.gz AMEZXRAFSADMBB-JQWIXIFHSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712558837 537791844 /nfs/dbraw/zinc/79/18/44/537791844.db2.gz AMEZXRAFSADMBB-PWSUYJOCSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C[C@@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712558838 537792194 /nfs/dbraw/zinc/79/21/94/537792194.db2.gz AMEZXRAFSADMBB-ZYHUDNBSSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@@H]([C@H]1[NH2+]CCc2ccsc21)C(C)(C)C ZINC000712558959 537792586 /nfs/dbraw/zinc/79/25/86/537792586.db2.gz BRFZIUZUVZIHMH-GXSJLCMTSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@H]([C@@H]1[NH2+]CCc2ccsc21)C(C)(C)C ZINC000712558961 537792540 /nfs/dbraw/zinc/79/25/40/537792540.db2.gz BRFZIUZUVZIHMH-KOLCDFICSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@H]([C@H]1[NH2+]CCc2ccsc21)C(C)(C)C ZINC000712558964 537793581 /nfs/dbraw/zinc/79/35/81/537793581.db2.gz BRFZIUZUVZIHMH-MWLCHTKSSA-N 1 0 223.385 3.617 10 0 BHAERO C[C@@H]([C@@H]1[NH2+]CCc2ccsc21)C(C)(C)C ZINC000712558967 537791665 /nfs/dbraw/zinc/79/16/65/537791665.db2.gz BRFZIUZUVZIHMH-ONGXEEELSA-N 1 0 223.385 3.617 10 0 BHAERO CC(C)C(C(C)C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712559049 537792643 /nfs/dbraw/zinc/79/26/43/537792643.db2.gz GMVKSNQBLZGRJD-CYBMUJFWSA-N 1 0 237.412 3.863 10 0 BHAERO CC(C)C(C(C)C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559050 537792005 /nfs/dbraw/zinc/79/20/05/537792005.db2.gz GMVKSNQBLZGRJD-ZDUSSCGKSA-N 1 0 237.412 3.863 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[C@H]1[NH2+]CCc2ccsc21 ZINC000712559601 537791616 /nfs/dbraw/zinc/79/16/16/537791616.db2.gz URQOYRRAIVCPCS-KGYLQXTDSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@H]1[C@H]1[NH2+]CCc2ccsc21 ZINC000712559604 537793511 /nfs/dbraw/zinc/79/35/11/537793511.db2.gz URQOYRRAIVCPCS-RAIGVLPGSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@H]1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559607 537793951 /nfs/dbraw/zinc/79/39/51/537793951.db2.gz URQOYRRAIVCPCS-RTXFEEFZSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCCC[C@@H]1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559608 537792235 /nfs/dbraw/zinc/79/22/35/537792235.db2.gz URQOYRRAIVCPCS-WXHSDQCUSA-N 1 0 235.396 3.761 10 0 BHAERO CCC[C@@]1(C2CCC2)[NH2+]CCc2ccsc21 ZINC000712559666 538955093 /nfs/dbraw/zinc/95/50/93/538955093.db2.gz ZGXPSTHYEZZHOY-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO CCC[C@]1(C2CCC2)[NH2+]CCc2ccsc21 ZINC000712559667 537792397 /nfs/dbraw/zinc/79/23/97/537792397.db2.gz ZGXPSTHYEZZHOY-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@@H]1CCC[C@H]([C@H]2[NH2+]CCc3ccsc32)C1 ZINC000712559671 537793974 /nfs/dbraw/zinc/79/39/74/537793974.db2.gz ZYBXJRVSGWEEMN-KGYLQXTDSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@H]2[NH2+]CCc3ccsc32)C1 ZINC000712559672 537792765 /nfs/dbraw/zinc/79/27/65/537792765.db2.gz ZYBXJRVSGWEEMN-RAIGVLPGSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@@H]([C@@H]2[NH2+]CCc3ccsc32)C1 ZINC000712559673 537793807 /nfs/dbraw/zinc/79/38/07/537793807.db2.gz ZYBXJRVSGWEEMN-RTXFEEFZSA-N 1 0 235.396 3.761 10 0 BHAERO C[C@@H]1CCC[C@H]([C@@H]2[NH2+]CCc3ccsc32)C1 ZINC000712559674 537792410 /nfs/dbraw/zinc/79/24/10/537792410.db2.gz ZYBXJRVSGWEEMN-WXHSDQCUSA-N 1 0 235.396 3.761 10 0 BHAERO CCCC1(CCC)[NH2+]CCc2ccsc21 ZINC000712563276 537795427 /nfs/dbraw/zinc/79/54/27/537795427.db2.gz ROWDBYUFFOQABL-UHFFFAOYSA-N 1 0 223.385 3.689 10 0 BHAERO CC(C)CC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712567207 537795231 /nfs/dbraw/zinc/79/52/31/537795231.db2.gz JQZJOLNCRLQNQR-CYBMUJFWSA-N 1 0 223.385 3.545 10 0 BHAERO CC(C)CC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712567209 537795095 /nfs/dbraw/zinc/79/50/95/537795095.db2.gz JQZJOLNCRLQNQR-ZDUSSCGKSA-N 1 0 223.385 3.545 10 0 BHAERO c1cc2c(s1)C1(CCCCCCC1)[NH2+]CC2 ZINC000712567761 537794595 /nfs/dbraw/zinc/79/45/95/537794595.db2.gz XBPVQCNVOXYEKM-UHFFFAOYSA-N 1 0 235.396 3.833 10 0 BHAERO CCCCC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712574417 537790899 /nfs/dbraw/zinc/79/08/99/537790899.db2.gz JBBCIKVAZIGWEK-CYBMUJFWSA-N 1 0 223.385 3.689 10 0 BHAERO CCCCC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712574420 537790519 /nfs/dbraw/zinc/79/05/19/537790519.db2.gz JBBCIKVAZIGWEK-ZDUSSCGKSA-N 1 0 223.385 3.689 10 0 BHAERO CCCCCC[C@H]1[NH2+]CCc2ccsc21 ZINC000712581360 537794628 /nfs/dbraw/zinc/79/46/28/537794628.db2.gz JNBNFXDUINMLDE-GFCCVEGCSA-N 1 0 223.385 3.905 10 0 BHAERO CCCCCC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712581364 537794355 /nfs/dbraw/zinc/79/43/55/537794355.db2.gz JNBNFXDUINMLDE-LBPRGKRZSA-N 1 0 223.385 3.905 10 0 BHAERO CCCCC[C@H]1[NH2+]CCc2ccsc21 ZINC000712581372 537795087 /nfs/dbraw/zinc/79/50/87/537795087.db2.gz JUPXIDOZGPJTEP-LLVKDONJSA-N 1 0 209.358 3.515 10 0 BHAERO CCCCC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712581374 537795039 /nfs/dbraw/zinc/79/50/39/537795039.db2.gz JUPXIDOZGPJTEP-NSHDSACASA-N 1 0 209.358 3.515 10 0 BHAERO CC[C@@H](C)C[C@@]1(CC)[NH2+]CCc2ccsc21 ZINC000712582016 537794402 /nfs/dbraw/zinc/79/44/02/537794402.db2.gz USLYCYOROMIEQB-BXUZGUMPSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@H](C)C[C@]1(CC)[NH2+]CCc2ccsc21 ZINC000712582017 537795629 /nfs/dbraw/zinc/79/56/29/537795629.db2.gz USLYCYOROMIEQB-FZMZJTMJSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@@H](C)C[C@]1(CC)[NH2+]CCc2ccsc21 ZINC000712582018 537795634 /nfs/dbraw/zinc/79/56/34/537795634.db2.gz USLYCYOROMIEQB-RISCZKNCSA-N 1 0 237.412 3.935 10 0 BHAERO CC[C@H](C)C[C@@]1(CC)[NH2+]CCc2ccsc21 ZINC000712582019 537794703 /nfs/dbraw/zinc/79/47/03/537794703.db2.gz USLYCYOROMIEQB-SMDDNHRTSA-N 1 0 237.412 3.935 10 0 BHAERO CC(C)(C)C[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712582057 538954721 /nfs/dbraw/zinc/95/47/21/538954721.db2.gz YPRCBBKYBTZHQN-CYBMUJFWSA-N 1 0 223.385 3.545 10 0 BHAERO CC(C)(C)C[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712582058 538954709 /nfs/dbraw/zinc/95/47/09/538954709.db2.gz YPRCBBKYBTZHQN-ZDUSSCGKSA-N 1 0 223.385 3.545 10 0 BHAERO C[C@@]1(C2CCCCC2)[NH2+]CCc2ccsc21 ZINC000712586799 537795239 /nfs/dbraw/zinc/79/52/39/537795239.db2.gz AEBLFBMLJDWEPJ-AWEZNQCLSA-N 1 0 235.396 3.689 10 0 BHAERO C[C@]1(C2CCCCC2)[NH2+]CCc2ccsc21 ZINC000712586803 537795023 /nfs/dbraw/zinc/79/50/23/537795023.db2.gz AEBLFBMLJDWEPJ-CQSZACIVSA-N 1 0 235.396 3.689 10 0 BHAERO CC[C@]1([C@@H]2CC2(C)C)[NH2+]CCc2ccsc21 ZINC000712588150 537794613 /nfs/dbraw/zinc/79/46/13/537794613.db2.gz WFDLGROEONTUHM-BXUZGUMPSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@@]1([C@H]2CC2(C)C)[NH2+]CCc2ccsc21 ZINC000712588151 537795657 /nfs/dbraw/zinc/79/56/57/537795657.db2.gz WFDLGROEONTUHM-FZMZJTMJSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@@]1([C@@H]2CC2(C)C)[NH2+]CCc2ccsc21 ZINC000712588152 537795451 /nfs/dbraw/zinc/79/54/51/537795451.db2.gz WFDLGROEONTUHM-RISCZKNCSA-N 1 0 235.396 3.545 10 0 BHAERO CC[C@]1([C@H]2CC2(C)C)[NH2+]CCc2ccsc21 ZINC000712588153 537795505 /nfs/dbraw/zinc/79/55/05/537795505.db2.gz WFDLGROEONTUHM-SMDDNHRTSA-N 1 0 235.396 3.545 10 0 BHAERO CCC[C@@H]([NH2+]C1CC(COC)C1)c1ccccc1 ZINC000713983448 712475934 /nfs/dbraw/zinc/47/59/34/712475934.db2.gz BIYHFALBJLYMMV-AVVWSFFYSA-N 1 0 247.382 3.542 10 0 BHAERO CCC[C@H]([NH2+]C1CC(COC)C1)c1ccccc1 ZINC000713983450 712475945 /nfs/dbraw/zinc/47/59/45/712475945.db2.gz BIYHFALBJLYMMV-BCLQGDPASA-N 1 0 247.382 3.542 10 0 BHAERO c1csc(CC[NH2+]C2(C3CCC3)CCC2)c1 ZINC000717847307 712693755 /nfs/dbraw/zinc/69/37/55/712693755.db2.gz CNGVJNQHQCTKSV-UHFFFAOYSA-N 1 0 235.396 3.603 10 0 BHAERO Cl/C=C(/Cl)C[NH2+]C1(C2CCC2)CCC1 ZINC000717855382 712600745 /nfs/dbraw/zinc/60/07/45/712600745.db2.gz QVHMFLQIIQXTJQ-JXMROGBWSA-N 1 0 234.170 3.618 10 0 BHAERO Cl/C=C(\Cl)C[NH2+]C1(C2CCC2)CCC1 ZINC000717855383 712600756 /nfs/dbraw/zinc/60/07/56/712600756.db2.gz QVHMFLQIIQXTJQ-YFHOEESVSA-N 1 0 234.170 3.618 10 0 BHAERO CC(C)(C)SCC[NH2+]C1(C2CCC2)CCC1 ZINC000717857404 712629227 /nfs/dbraw/zinc/62/92/27/712629227.db2.gz KPOWCRRWQAUVCU-UHFFFAOYSA-N 1 0 241.444 3.831 10 0 BHAERO ClC(Cl)=CC[NH2+]C1(C2CCC2)CCC1 ZINC000717882737 712731450 /nfs/dbraw/zinc/73/14/50/712731450.db2.gz GBJNAMLIAXXNNJ-UHFFFAOYSA-N 1 0 234.170 3.618 10 0 BHAERO FC1(F)CCCC[C@@H]1C[NH2+]C1(C2CC2)CCC1 ZINC000717892822 712731865 /nfs/dbraw/zinc/73/18/65/712731865.db2.gz JBGSCKHVIPGXOS-GFCCVEGCSA-N 1 0 243.341 3.734 10 0 BHAERO FC1(F)CCCC[C@H]1C[NH2+]C1(C2CC2)CCC1 ZINC000717892827 712731940 /nfs/dbraw/zinc/73/19/40/712731940.db2.gz JBGSCKHVIPGXOS-LBPRGKRZSA-N 1 0 243.341 3.734 10 0 BHAERO Cc1coc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000718097237 712743076 /nfs/dbraw/zinc/74/30/76/712743076.db2.gz LBQXMWDJGAZYJI-ZDUSSCGKSA-N 1 0 229.323 3.747 10 0 BHAERO Cc1coc(C[NH2+][C@H](C)c2cccc(C)c2)c1 ZINC000718100069 712743050 /nfs/dbraw/zinc/74/30/50/712743050.db2.gz WGVVHOKRIRHJNM-CYBMUJFWSA-N 1 0 229.323 3.747 10 0 BHAERO Cc1coc(C[NH2+][C@@H](C)c2cccc(C)c2)c1 ZINC000718100071 712742614 /nfs/dbraw/zinc/74/26/14/712742614.db2.gz WGVVHOKRIRHJNM-ZDUSSCGKSA-N 1 0 229.323 3.747 10 0 BHAERO Cc1coc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000718117502 712744457 /nfs/dbraw/zinc/74/44/57/712744457.db2.gz GDNXYQIIFIFMLR-JTQLQIEISA-N 1 0 221.325 3.500 10 0 BHAERO Cc1coc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000718118130 712744447 /nfs/dbraw/zinc/74/44/47/712744447.db2.gz GDNXYQIIFIFMLR-SNVBAGLBSA-N 1 0 221.325 3.500 10 0 BHAERO Cc1coc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000718129658 712746736 /nfs/dbraw/zinc/74/67/36/712746736.db2.gz FFTPYVSACOEDNT-GFCCVEGCSA-N 1 0 247.313 3.886 10 0 BHAERO Cc1coc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000718129664 712746530 /nfs/dbraw/zinc/74/65/30/712746530.db2.gz FFTPYVSACOEDNT-LBPRGKRZSA-N 1 0 247.313 3.886 10 0 BHAERO CC(F)(F)CCC[NH2+]C1(C2CCC2)CCC1 ZINC000718377653 711654934 /nfs/dbraw/zinc/65/49/34/711654934.db2.gz BYQZGJCLNGLERI-UHFFFAOYSA-N 1 0 231.330 3.734 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCCC2(C)C)CCO1 ZINC000719218859 712800472 /nfs/dbraw/zinc/80/04/72/712800472.db2.gz HYVCTTYUCAJXFS-HZSPNIEDSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCCC2(C)C)CCO1 ZINC000719218862 712799942 /nfs/dbraw/zinc/79/99/42/712799942.db2.gz HYVCTTYUCAJXFS-MCIONIFRSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCCC2(C)C)CCO1 ZINC000719218865 712800177 /nfs/dbraw/zinc/80/01/77/712800177.db2.gz HYVCTTYUCAJXFS-MGPQQGTHSA-N 1 0 239.403 3.502 10 0 BHAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCCC2(C)C)CCO1 ZINC000719218868 712800376 /nfs/dbraw/zinc/80/03/76/712800376.db2.gz HYVCTTYUCAJXFS-RDBSUJKOSA-N 1 0 239.403 3.502 10 0 BHAERO CC1(C)CCCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000719259717 712801855 /nfs/dbraw/zinc/80/18/55/712801855.db2.gz KTQUVMXFCOLKRX-LLVKDONJSA-N 1 0 231.330 3.733 10 0 BHAERO CC1(C)CCCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000719259718 712801860 /nfs/dbraw/zinc/80/18/60/712801860.db2.gz KTQUVMXFCOLKRX-NSHDSACASA-N 1 0 231.330 3.733 10 0 BHAERO CC1(C)CCCCC[C@H]1[NH2+]Cc1cscn1 ZINC000719260898 712802117 /nfs/dbraw/zinc/80/21/17/712802117.db2.gz OBSVNVJJWPIUMV-GFCCVEGCSA-N 1 0 238.400 3.592 10 0 BHAERO CC1(C)CCCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000719260899 712802134 /nfs/dbraw/zinc/80/21/34/712802134.db2.gz OBSVNVJJWPIUMV-LBPRGKRZSA-N 1 0 238.400 3.592 10 0 BHAERO CC1(C)CCCCC[C@H]1[NH2+]Cc1nccs1 ZINC000719261410 712802130 /nfs/dbraw/zinc/80/21/30/712802130.db2.gz QBKGEVSVXJDHHH-LLVKDONJSA-N 1 0 238.400 3.592 10 0 BHAERO CC1(C)CCCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000719261412 712802132 /nfs/dbraw/zinc/80/21/32/712802132.db2.gz QBKGEVSVXJDHHH-NSHDSACASA-N 1 0 238.400 3.592 10 0 BHAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000719500153 537931961 /nfs/dbraw/zinc/93/19/61/537931961.db2.gz RWQXCXPTPDXCJB-GFCCVEGCSA-N 1 0 249.404 3.662 10 0 BHAERO Cc1cc(C)c([C@H]2[NH2+]CCc3sccc32)s1 ZINC000719500183 537932482 /nfs/dbraw/zinc/93/24/82/537932482.db2.gz RWQXCXPTPDXCJB-LBPRGKRZSA-N 1 0 249.404 3.662 10 0 BHAERO Cc1cc(C)c([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000719501166 537931902 /nfs/dbraw/zinc/93/19/02/537931902.db2.gz UHZCVFBEBPAWKJ-LLVKDONJSA-N 1 0 249.404 3.662 10 0 BHAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000719501168 537930966 /nfs/dbraw/zinc/93/09/66/537930966.db2.gz UHZCVFBEBPAWKJ-NSHDSACASA-N 1 0 249.404 3.662 10 0 BHAERO c1cc2c(s1)[C@@H](CCCC1CC1)[NH2+]CC2 ZINC000720162962 537852145 /nfs/dbraw/zinc/85/21/45/537852145.db2.gz MISKQIOFIMKZAB-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)[C@H](CCCC1CC1)[NH2+]CC2 ZINC000720162964 537852069 /nfs/dbraw/zinc/85/20/69/537852069.db2.gz MISKQIOFIMKZAB-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@@H]2CCCC1CC1 ZINC000720163061 537851842 /nfs/dbraw/zinc/85/18/42/537851842.db2.gz NEANIIWEKTVSAG-GFCCVEGCSA-N 1 0 221.369 3.515 10 0 BHAERO c1cc2c(s1)CC[NH2+][C@H]2CCCC1CC1 ZINC000720163066 537852336 /nfs/dbraw/zinc/85/23/36/537852336.db2.gz NEANIIWEKTVSAG-LBPRGKRZSA-N 1 0 221.369 3.515 10 0 BHAERO CC1CCC(C[NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000720949063 712881832 /nfs/dbraw/zinc/88/18/32/712881832.db2.gz GMEWQGYDFYUYOT-UHFFFAOYSA-N 1 0 231.330 3.590 10 0 BHAERO Cc1cnc(C[NH2+]C2CCC3(CC3)CC2)c(C)c1 ZINC000724084986 710736791 /nfs/dbraw/zinc/73/67/91/710736791.db2.gz GPXHMILTLMTABH-UHFFFAOYSA-N 1 0 244.382 3.511 10 0 BHAERO Cc1cnc(C[NH2+][C@H]2CCC23CCCC3)c(C)c1 ZINC000724097343 711560764 /nfs/dbraw/zinc/56/07/64/711560764.db2.gz GNPZBHAMCCIALA-HNNXBMFYSA-N 1 0 244.382 3.511 10 0 BHAERO Cc1cnc(C[NH2+][C@@H]2CCC23CCCC3)c(C)c1 ZINC000724097345 711560773 /nfs/dbraw/zinc/56/07/73/711560773.db2.gz GNPZBHAMCCIALA-OAHLLOKOSA-N 1 0 244.382 3.511 10 0 BHAERO CCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724289547 711573809 /nfs/dbraw/zinc/57/38/09/711573809.db2.gz BNEILNBILIOTQI-APIJFGDWSA-N 1 0 241.419 3.748 10 0 BHAERO CCCCC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000724289548 711573824 /nfs/dbraw/zinc/57/38/24/711573824.db2.gz BNEILNBILIOTQI-BFHYXJOUSA-N 1 0 241.419 3.748 10 0 BHAERO CCCCC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000724289549 711573802 /nfs/dbraw/zinc/57/38/02/711573802.db2.gz BNEILNBILIOTQI-IHRRRGAJSA-N 1 0 241.419 3.748 10 0 BHAERO CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724289550 711573917 /nfs/dbraw/zinc/57/39/17/711573917.db2.gz BNEILNBILIOTQI-XQLPTFJDSA-N 1 0 241.419 3.748 10 0 BHAERO C=Cc1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000725241360 537978688 /nfs/dbraw/zinc/97/86/88/537978688.db2.gz OOQZGFSGYIHETR-BXUZGUMPSA-N 1 0 201.313 3.533 10 0 BHAERO C=Cc1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000725241361 537979185 /nfs/dbraw/zinc/97/91/85/537979185.db2.gz OOQZGFSGYIHETR-FZMZJTMJSA-N 1 0 201.313 3.533 10 0 BHAERO C=Cc1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000725241362 537979283 /nfs/dbraw/zinc/97/92/83/537979283.db2.gz OOQZGFSGYIHETR-RISCZKNCSA-N 1 0 201.313 3.533 10 0 BHAERO C=Cc1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000725241363 537979371 /nfs/dbraw/zinc/97/93/71/537979371.db2.gz OOQZGFSGYIHETR-SMDDNHRTSA-N 1 0 201.313 3.533 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]2CC1 ZINC000725241387 537979418 /nfs/dbraw/zinc/97/94/18/537979418.db2.gz FAQCCPXCVIJREI-BFHYXJOUSA-N 1 0 209.377 3.591 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]2CC1 ZINC000725241388 537978873 /nfs/dbraw/zinc/97/88/73/537978873.db2.gz FAQCCPXCVIJREI-HZSPNIEDSA-N 1 0 209.377 3.591 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@@H]2CC1 ZINC000725241389 537978989 /nfs/dbraw/zinc/97/89/89/537978989.db2.gz FAQCCPXCVIJREI-MELADBBJSA-N 1 0 209.377 3.591 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@H]2CC1 ZINC000725241390 537979581 /nfs/dbraw/zinc/97/95/81/537979581.db2.gz FAQCCPXCVIJREI-MGPQQGTHSA-N 1 0 209.377 3.591 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]2[C@H](CC1)C2(F)F ZINC000725241597 541329649 /nfs/dbraw/zinc/32/96/49/541329649.db2.gz JCCUGEQDSVBSDD-AGIUHOORSA-N 1 0 245.357 3.836 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]2[C@@H](CC1)C2(F)F ZINC000725241598 541330007 /nfs/dbraw/zinc/33/00/07/541330007.db2.gz JCCUGEQDSVBSDD-FRRDWIJNSA-N 1 0 245.357 3.836 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]2[C@@H](CC1)C2(F)F ZINC000725241599 541329940 /nfs/dbraw/zinc/32/99/40/541329940.db2.gz JCCUGEQDSVBSDD-JHJVBQTASA-N 1 0 245.357 3.836 10 0 BHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]2[C@H](CC1)C2(F)F ZINC000725241600 541329864 /nfs/dbraw/zinc/32/98/64/541329864.db2.gz JCCUGEQDSVBSDD-UPJWGTAASA-N 1 0 245.357 3.836 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]2CC1 ZINC000725241693 537980567 /nfs/dbraw/zinc/98/05/67/537980567.db2.gz MUBCZMYWKIFAQV-IGQOVBAYSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[C@H]2CC1 ZINC000725241694 537981601 /nfs/dbraw/zinc/98/16/01/537981601.db2.gz MUBCZMYWKIFAQV-REWJHTLYSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]2CC1 ZINC000725241695 537981294 /nfs/dbraw/zinc/98/12/94/537981294.db2.gz MUBCZMYWKIFAQV-RFQIPJPRSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@@H]2CC1 ZINC000725241696 537981725 /nfs/dbraw/zinc/98/17/25/537981725.db2.gz MUBCZMYWKIFAQV-XDQVBPFNSA-N 1 0 209.377 3.591 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2[C@H](CC1)C2(F)F ZINC000725241750 537982211 /nfs/dbraw/zinc/98/22/11/537982211.db2.gz ORYOPSFEWASRML-LOWDOPEQSA-N 1 0 245.357 3.836 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2[C@@H](CC1)C2(F)F ZINC000725241751 537980443 /nfs/dbraw/zinc/98/04/43/537980443.db2.gz ORYOPSFEWASRML-QNWHQSFQSA-N 1 0 245.357 3.836 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2[C@H](CC1)C2(F)F ZINC000725241752 537980372 /nfs/dbraw/zinc/98/03/72/537980372.db2.gz ORYOPSFEWASRML-RNJOBUHISA-N 1 0 245.357 3.836 10 0 BHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2[C@@H](CC1)C2(F)F ZINC000725241753 537982263 /nfs/dbraw/zinc/98/22/63/537982263.db2.gz ORYOPSFEWASRML-UMSGYPCISA-N 1 0 245.357 3.836 10 0 BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1ccccc1Cl ZINC000725254283 538044853 /nfs/dbraw/zinc/04/48/53/538044853.db2.gz AOKQMNQECQKCHD-BHYNMZESSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1ccccc1Cl ZINC000725254284 538044786 /nfs/dbraw/zinc/04/47/86/538044786.db2.gz AOKQMNQECQKCHD-DUFXMDAXSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1ccccc1Cl ZINC000725254285 538044778 /nfs/dbraw/zinc/04/47/78/538044778.db2.gz AOKQMNQECQKCHD-MRCXROJRSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1ccccc1Cl ZINC000725254286 538044867 /nfs/dbraw/zinc/04/48/67/538044867.db2.gz AOKQMNQECQKCHD-WFBYXXMGSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1cccc(Cl)c1 ZINC000725254556 541331350 /nfs/dbraw/zinc/33/13/50/541331350.db2.gz YKOWBWZZAHEJRB-FZZIBODNSA-N 1 0 235.758 3.584 10 0 BHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1cccc(Cl)c1 ZINC000725254557 541331376 /nfs/dbraw/zinc/33/13/76/541331376.db2.gz YKOWBWZZAHEJRB-HERUPUMHSA-N 1 0 235.758 3.584 10 0 BHAERO CC(C)(C)[C@H]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725256170 538055458 /nfs/dbraw/zinc/05/54/58/538055458.db2.gz YYDFFIFOEPSBHG-AEJSXWLSSA-N 1 0 237.309 3.729 10 0 BHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256171 538055410 /nfs/dbraw/zinc/05/54/10/538055410.db2.gz YYDFFIFOEPSBHG-GUBZILKMSA-N 1 0 237.309 3.729 10 0 BHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725256172 538055492 /nfs/dbraw/zinc/05/54/92/538055492.db2.gz YYDFFIFOEPSBHG-IVZWLZJFSA-N 1 0 237.309 3.729 10 0 BHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256173 538055463 /nfs/dbraw/zinc/05/54/63/538055463.db2.gz YYDFFIFOEPSBHG-LPEHRKFASA-N 1 0 237.309 3.729 10 0 BHAERO C[C@]1([NH+]2CCC2)CC=C(c2ccccc2F)CC1 ZINC000725256667 538058408 /nfs/dbraw/zinc/05/84/08/538058408.db2.gz CMYXAIAKWCDACV-INIZCTEOSA-N 1 0 245.341 3.857 10 0 BHAERO C[C@@]1([NH+]2CCC2)CC=C(c2ccccc2F)CC1 ZINC000725256668 538057415 /nfs/dbraw/zinc/05/74/15/538057415.db2.gz CMYXAIAKWCDACV-MRXNPFEDSA-N 1 0 245.341 3.857 10 0 BHAERO C[NH+](C)[C@@]1(C)CC=C(c2ccccc2F)CC1 ZINC000725256677 538057792 /nfs/dbraw/zinc/05/77/92/538057792.db2.gz DBASGHRTFFBYLU-HNNXBMFYSA-N 1 0 233.330 3.713 10 0 BHAERO C[NH+](C)[C@]1(C)CC=C(c2ccccc2F)CC1 ZINC000725256678 538057396 /nfs/dbraw/zinc/05/73/96/538057396.db2.gz DBASGHRTFFBYLU-OAHLLOKOSA-N 1 0 233.330 3.713 10 0 BHAERO C[NH+](C)[C@@]1(C)CC=C(c2cccc(F)c2)CC1 ZINC000725256738 538057045 /nfs/dbraw/zinc/05/70/45/538057045.db2.gz LUPTWZHPDAJTDG-HNNXBMFYSA-N 1 0 233.330 3.713 10 0 BHAERO C[NH+](C)[C@]1(C)CC=C(c2cccc(F)c2)CC1 ZINC000725256739 538056938 /nfs/dbraw/zinc/05/69/38/538056938.db2.gz LUPTWZHPDAJTDG-OAHLLOKOSA-N 1 0 233.330 3.713 10 0 BHAERO C[NH+](C)[C@@]1(C)CC=C(c2ccc(F)cc2)CC1 ZINC000725256748 538059572 /nfs/dbraw/zinc/05/95/72/538059572.db2.gz NGMSAYPVCNCBTF-HNNXBMFYSA-N 1 0 233.330 3.713 10 0 BHAERO C[NH+](C)[C@]1(C)CC=C(c2ccc(F)cc2)CC1 ZINC000725256749 538060182 /nfs/dbraw/zinc/06/01/82/538060182.db2.gz NGMSAYPVCNCBTF-OAHLLOKOSA-N 1 0 233.330 3.713 10 0 BHAERO C[C@]1([NH+]2CCC2)CC=C(c2ccc(F)cc2)CC1 ZINC000725256757 538059405 /nfs/dbraw/zinc/05/94/05/538059405.db2.gz OOFMQPSOMUEAEQ-INIZCTEOSA-N 1 0 245.341 3.857 10 0 BHAERO C[C@@]1([NH+]2CCC2)CC=C(c2ccc(F)cc2)CC1 ZINC000725256758 538058933 /nfs/dbraw/zinc/05/89/33/538058933.db2.gz OOFMQPSOMUEAEQ-MRXNPFEDSA-N 1 0 245.341 3.857 10 0 BHAERO C[C@]1([NH+]2CCC2)CC=C(c2cccc(F)c2)CC1 ZINC000725256795 538058788 /nfs/dbraw/zinc/05/87/88/538058788.db2.gz VMZCGTCWGFDDKY-INIZCTEOSA-N 1 0 245.341 3.857 10 0 BHAERO C[C@@]1([NH+]2CCC2)CC=C(c2cccc(F)c2)CC1 ZINC000725256796 538060075 /nfs/dbraw/zinc/06/00/75/538060075.db2.gz VMZCGTCWGFDDKY-MRXNPFEDSA-N 1 0 245.341 3.857 10 0 BHAERO CC(C)(C)C1CCC(C(C)(C)C[NH3+])CC1 ZINC000725261286 538085545 /nfs/dbraw/zinc/08/55/45/538085545.db2.gz CJNYMSYLGSKJGL-UHFFFAOYSA-N 1 0 211.393 3.824 10 0 BHAERO CCC(C)(C)C1CCC(C(C)(C)[NH3+])CC1 ZINC000725261443 538087367 /nfs/dbraw/zinc/08/73/67/538087367.db2.gz NWEKZBQXDGVKOT-UHFFFAOYSA-N 1 0 211.393 3.966 10 0 BHAERO c1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000725262477 541335480 /nfs/dbraw/zinc/33/54/80/541335480.db2.gz AWYNSRDWMYVMMM-UHFFFAOYSA-N 1 0 249.357 3.808 10 0 BHAERO CCC(CC)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000725262790 538089304 /nfs/dbraw/zinc/08/93/04/538089304.db2.gz QHPDATNGMXICSO-UHFFFAOYSA-N 1 0 234.387 3.558 10 0 BHAERO CCC(C)(C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000725262848 538089555 /nfs/dbraw/zinc/08/95/55/538089555.db2.gz ZJOBKQLJIQDADO-UHFFFAOYSA-N 1 0 234.387 3.558 10 0 BHAERO CC[C@H](C)C[NH2+]CC[C@H]1C[C@H]1Cc1ccccc1 ZINC000725263719 541337070 /nfs/dbraw/zinc/33/70/70/541337070.db2.gz CQODAANKQIVBJZ-BHYGNILZSA-N 1 0 245.410 3.891 10 0 BHAERO CC[C@H](C)C[NH2+]CC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000725263720 541336495 /nfs/dbraw/zinc/33/64/95/541336495.db2.gz CQODAANKQIVBJZ-UAGQMJEPSA-N 1 0 245.410 3.891 10 0 BHAERO CC[C@H](C)C[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC000725263721 541336467 /nfs/dbraw/zinc/33/64/67/541336467.db2.gz CQODAANKQIVBJZ-USXIJHARSA-N 1 0 245.410 3.891 10 0 BHAERO CC[C@H](C)C[NH2+]CC[C@H]1C[C@@H]1Cc1ccccc1 ZINC000725263722 541336506 /nfs/dbraw/zinc/33/65/06/541336506.db2.gz CQODAANKQIVBJZ-XIRDDKMYSA-N 1 0 245.410 3.891 10 0 BHAERO CC(C)C[NH2+]CC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000725263786 541336298 /nfs/dbraw/zinc/33/62/98/541336298.db2.gz IBIZNZAVICIVLB-CVEARBPZSA-N 1 0 231.383 3.501 10 0 BHAERO CC(C)C[NH2+]CC[C@H]1C[C@@H]1Cc1ccccc1 ZINC000725263787 541337131 /nfs/dbraw/zinc/33/71/31/541337131.db2.gz IBIZNZAVICIVLB-HOTGVXAUSA-N 1 0 231.383 3.501 10 0 BHAERO CC(C)C[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC000725263788 541336438 /nfs/dbraw/zinc/33/64/38/541336438.db2.gz IBIZNZAVICIVLB-HZPDHXFCSA-N 1 0 231.383 3.501 10 0 BHAERO CC(C)C[NH2+]CC[C@H]1C[C@H]1Cc1ccccc1 ZINC000725263789 541336423 /nfs/dbraw/zinc/33/64/23/541336423.db2.gz IBIZNZAVICIVLB-JKSUJKDBSA-N 1 0 231.383 3.501 10 0 BHAERO CC(C)CC[NH2+]CC[C@H]1C[C@H]1Cc1ccccc1 ZINC000725263876 541336556 /nfs/dbraw/zinc/33/65/56/541336556.db2.gz SXAIBKAFISBMMM-DLBZAZTESA-N 1 0 245.410 3.891 10 0 BHAERO CC(C)CC[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC000725263877 541336953 /nfs/dbraw/zinc/33/69/53/541336953.db2.gz SXAIBKAFISBMMM-IAGOWNOFSA-N 1 0 245.410 3.891 10 0 BHAERO CC(C)CC[NH2+]CC[C@H]1C[C@@H]1Cc1ccccc1 ZINC000725263878 541336620 /nfs/dbraw/zinc/33/66/20/541336620.db2.gz SXAIBKAFISBMMM-IRXDYDNUSA-N 1 0 245.410 3.891 10 0 BHAERO CC(C)CC[NH2+]CC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000725263879 541337030 /nfs/dbraw/zinc/33/70/30/541337030.db2.gz SXAIBKAFISBMMM-SJORKVTESA-N 1 0 245.410 3.891 10 0 BHAERO COC(C)(C)C[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000725266737 538097051 /nfs/dbraw/zinc/09/70/51/538097051.db2.gz ATPRMHCCJWIJJD-KBPBESRZSA-N 1 0 249.398 3.788 10 0 BHAERO COC(C)(C)C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000725266738 538096635 /nfs/dbraw/zinc/09/66/35/538096635.db2.gz ATPRMHCCJWIJJD-KGLIPLIRSA-N 1 0 249.398 3.788 10 0 BHAERO COC(C)(C)C[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000725266739 538096464 /nfs/dbraw/zinc/09/64/64/538096464.db2.gz ATPRMHCCJWIJJD-UONOGXRCSA-N 1 0 249.398 3.788 10 0 BHAERO COC(C)(C)C[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000725266740 538096795 /nfs/dbraw/zinc/09/67/95/538096795.db2.gz ATPRMHCCJWIJJD-ZIAGYGMSSA-N 1 0 249.398 3.788 10 0 BHAERO COCCC1(CC[NH2+]C2CCC2)CCCCC1 ZINC000725266772 538097112 /nfs/dbraw/zinc/09/71/12/538097112.db2.gz CYVLDKRPLZHBGX-UHFFFAOYSA-N 1 0 239.403 3.506 10 0 BHAERO CC[C@H](C)[NH2+]CCC1(CCOC)CCCCC1 ZINC000725266807 538097149 /nfs/dbraw/zinc/09/71/49/538097149.db2.gz FLGJEGQPATVYFH-AWEZNQCLSA-N 1 0 241.419 3.752 10 0 BHAERO CC[C@@H](C)[NH2+]CCC1(CCOC)CCCCC1 ZINC000725266808 538097087 /nfs/dbraw/zinc/09/70/87/538097087.db2.gz FLGJEGQPATVYFH-CQSZACIVSA-N 1 0 241.419 3.752 10 0 BHAERO COCCC1(CC[NH2+]CC(C)C)CCCCC1 ZINC000725266811 538097173 /nfs/dbraw/zinc/09/71/73/538097173.db2.gz GGZVYXCZTLPSHJ-UHFFFAOYSA-N 1 0 241.419 3.609 10 0 BHAERO CCC(C)(C)[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725266834 538097845 /nfs/dbraw/zinc/09/78/45/538097845.db2.gz IFUZBTUECTUQBW-HNNXBMFYSA-N 1 0 249.398 3.585 10 0 BHAERO CCC(C)(C)[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725266835 538097398 /nfs/dbraw/zinc/09/73/98/538097398.db2.gz IFUZBTUECTUQBW-OAHLLOKOSA-N 1 0 249.398 3.585 10 0 BHAERO COCCC1(CC[NH2+]C(C)(C)C)CCCCC1 ZINC000725266932 538097476 /nfs/dbraw/zinc/09/74/76/538097476.db2.gz NFOIKHOWNOPPQI-UHFFFAOYSA-N 1 0 241.419 3.752 10 0 BHAERO CCC[C@H](CCC[NH2+][C@H](C)c1ccccc1)OC ZINC000725266953 538097438 /nfs/dbraw/zinc/09/74/38/538097438.db2.gz NVWWLOFIZGISKG-GDBMZVCRSA-N 1 0 249.398 3.933 10 0 BHAERO CCC[C@H](CCC[NH2+][C@@H](C)c1ccccc1)OC ZINC000725266954 538097343 /nfs/dbraw/zinc/09/73/43/538097343.db2.gz NVWWLOFIZGISKG-GOEBONIOSA-N 1 0 249.398 3.933 10 0 BHAERO CCC[C@@H](CCC[NH2+][C@@H](C)c1ccccc1)OC ZINC000725266955 538097545 /nfs/dbraw/zinc/09/75/45/538097545.db2.gz NVWWLOFIZGISKG-HOCLYGCPSA-N 1 0 249.398 3.933 10 0 BHAERO CCC[C@@H](CCC[NH2+][C@H](C)c1ccccc1)OC ZINC000725266956 538097723 /nfs/dbraw/zinc/09/77/23/538097723.db2.gz NVWWLOFIZGISKG-ZBFHGGJFSA-N 1 0 249.398 3.933 10 0 BHAERO CCC(CC)[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725267143 538097482 /nfs/dbraw/zinc/09/74/82/538097482.db2.gz SBGFNWKMQKEZMC-HNNXBMFYSA-N 1 0 249.398 3.585 10 0 BHAERO CCC(CC)[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725267144 538097721 /nfs/dbraw/zinc/09/77/21/538097721.db2.gz SBGFNWKMQKEZMC-OAHLLOKOSA-N 1 0 249.398 3.585 10 0 BHAERO CCCC[NH2+]CCC1(CCOC)CCCCC1 ZINC000725267151 538097316 /nfs/dbraw/zinc/09/73/16/538097316.db2.gz TVKRYVMWPHDUBX-UHFFFAOYSA-N 1 0 241.419 3.753 10 0 BHAERO COCCC1(CC[NH2+]C2CCCCC2)CCC1 ZINC000725267186 538097670 /nfs/dbraw/zinc/09/76/70/538097670.db2.gz UWNCEPRAPAUAPW-UHFFFAOYSA-N 1 0 239.403 3.506 10 0 BHAERO C=C(OCC)c1cccc([C@@H](C)[NH2+]CCC)c1 ZINC000725267551 538099273 /nfs/dbraw/zinc/09/92/73/538099273.db2.gz ACDWWGSCDGYOEO-GFCCVEGCSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1cccc([C@H](C)[NH2+]CCC)c1 ZINC000725267552 538098930 /nfs/dbraw/zinc/09/89/30/538098930.db2.gz ACDWWGSCDGYOEO-LBPRGKRZSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1cc(C[NH2+]C(C)C)ccc1C ZINC000725267558 538099082 /nfs/dbraw/zinc/09/90/82/538099082.db2.gz BKYRJAHIQRCNCR-UHFFFAOYSA-N 1 0 233.355 3.500 10 0 BHAERO C=C(OCC)c1cc(C)ccc1C[NH2+]CCC ZINC000725267567 538098170 /nfs/dbraw/zinc/09/81/70/538098170.db2.gz FGFAAESAGNJWIN-UHFFFAOYSA-N 1 0 233.355 3.502 10 0 BHAERO C=C(OCC)c1cccc2c1CC[C@@H]2[NH2+]CCC ZINC000725267587 538098381 /nfs/dbraw/zinc/09/83/81/538098381.db2.gz JRAMRGNUSYENNV-INIZCTEOSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1cccc2c1CC[C@H]2[NH2+]CCC ZINC000725267588 538098332 /nfs/dbraw/zinc/09/83/32/538098332.db2.gz JRAMRGNUSYENNV-MRXNPFEDSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC000725267596 538098258 /nfs/dbraw/zinc/09/82/58/538098258.db2.gz KTWMNRDIMGBXCC-GFCCVEGCSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000725267597 538098251 /nfs/dbraw/zinc/09/82/51/538098251.db2.gz KTWMNRDIMGBXCC-LBPRGKRZSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000725267601 538098043 /nfs/dbraw/zinc/09/80/43/538098043.db2.gz MKKCQEJKUOIDRS-JTQLQIEISA-N 1 0 237.318 3.503 10 0 BHAERO C=C(OCC)c1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000725267602 538098444 /nfs/dbraw/zinc/09/84/44/538098444.db2.gz MKKCQEJKUOIDRS-SNVBAGLBSA-N 1 0 237.318 3.503 10 0 BHAERO C=C(OCC)c1cc(C)ccc1C[NH2+]C(C)C ZINC000725267619 538098555 /nfs/dbraw/zinc/09/85/55/538098555.db2.gz POJQDCRDNCYKSG-UHFFFAOYSA-N 1 0 233.355 3.500 10 0 BHAERO C=C(OCC)c1ccc2c(c1)[C@@H]([NH2+]CCC)CC2 ZINC000725267621 538098049 /nfs/dbraw/zinc/09/80/49/538098049.db2.gz PWIPRSZQFLIZEE-INIZCTEOSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1ccc2c(c1)[C@H]([NH2+]CCC)CC2 ZINC000725267622 538098214 /nfs/dbraw/zinc/09/82/14/538098214.db2.gz PWIPRSZQFLIZEE-MRXNPFEDSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1ccc([C@H](CC)[NH2+]CC)cc1 ZINC000725267628 538098102 /nfs/dbraw/zinc/09/81/02/538098102.db2.gz RFXWTBBCFLDZHU-HNNXBMFYSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccc([C@@H](CC)[NH2+]CC)cc1 ZINC000725267629 538098430 /nfs/dbraw/zinc/09/84/30/538098430.db2.gz RFXWTBBCFLDZHU-OAHLLOKOSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccc(C[NH2+]CCC)cc1C ZINC000725267635 538098386 /nfs/dbraw/zinc/09/83/86/538098386.db2.gz SKLQSGCQBLZNJI-UHFFFAOYSA-N 1 0 233.355 3.502 10 0 BHAERO C=C(OCC)c1ccc(C[NH2+]C(C)C)c(C)c1 ZINC000725267639 538098090 /nfs/dbraw/zinc/09/80/90/538098090.db2.gz STNICMHHMSIYID-UHFFFAOYSA-N 1 0 233.355 3.500 10 0 BHAERO C=C(OCC)c1ccc(C[NH2+]C(C)C)cc1C ZINC000725267643 538098150 /nfs/dbraw/zinc/09/81/50/538098150.db2.gz UVDYFQPMVRCERT-UHFFFAOYSA-N 1 0 233.355 3.500 10 0 BHAERO C=C(OCC)c1ccccc1[C@@H](C)[NH2+]CCC ZINC000725267645 538098187 /nfs/dbraw/zinc/09/81/87/538098187.db2.gz VKKFNGOYNBRXQT-GFCCVEGCSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccccc1[C@H](C)[NH2+]CCC ZINC000725267646 538098191 /nfs/dbraw/zinc/09/81/91/538098191.db2.gz VKKFNGOYNBRXQT-LBPRGKRZSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccc(C[C@@H](C)[NH2+]CCC)cc1 ZINC000725267647 538098177 /nfs/dbraw/zinc/09/81/77/538098177.db2.gz VLYQCVQEMCAREG-CYBMUJFWSA-N 1 0 247.382 3.624 10 0 BHAERO C=C(OCC)c1ccc(C[C@H](C)[NH2+]CCC)cc1 ZINC000725267648 538098195 /nfs/dbraw/zinc/09/81/95/538098195.db2.gz VLYQCVQEMCAREG-ZDUSSCGKSA-N 1 0 247.382 3.624 10 0 BHAERO C=C(OCC)c1cc([C@H](C)[NH2+]CC)ccc1F ZINC000725267689 539026908 /nfs/dbraw/zinc/02/69/08/539026908.db2.gz XQJMGUMELKLPDZ-JTQLQIEISA-N 1 0 237.318 3.503 10 0 BHAERO C=C(OCC)c1cc([C@@H](C)[NH2+]CC)ccc1F ZINC000725267691 539027121 /nfs/dbraw/zinc/02/71/21/539027121.db2.gz XQJMGUMELKLPDZ-SNVBAGLBSA-N 1 0 237.318 3.503 10 0 BHAERO C=C(OCC)c1ccc(C[NH2+]CCC)c(C)c1 ZINC000725267698 538098899 /nfs/dbraw/zinc/09/88/99/538098899.db2.gz YSMJRCSVZDLELG-UHFFFAOYSA-N 1 0 233.355 3.502 10 0 BHAERO C=C(OCC)c1cccc([C@H](CC)[NH2+]CC)c1 ZINC000725267719 538099604 /nfs/dbraw/zinc/09/96/04/538099604.db2.gz ZZWHNSQVTHAALO-HNNXBMFYSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1cccc([C@@H](CC)[NH2+]CC)c1 ZINC000725267721 538099325 /nfs/dbraw/zinc/09/93/25/538099325.db2.gz ZZWHNSQVTHAALO-OAHLLOKOSA-N 1 0 233.355 3.754 10 0 BHAERO C=C(OCC)c1ccc2c(c1)CC[C@@H]2[NH2+]CCC ZINC000725268146 538100283 /nfs/dbraw/zinc/10/02/83/538100283.db2.gz CVMHWROHQJDQST-INIZCTEOSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1ccc2c(c1)CC[C@H]2[NH2+]CCC ZINC000725268147 538100195 /nfs/dbraw/zinc/10/01/95/538100195.db2.gz CVMHWROHQJDQST-MRXNPFEDSA-N 1 0 245.366 3.681 10 0 BHAERO C=C(OCC)c1cc(C[NH2+]CCC)ccc1C ZINC000725268149 538100144 /nfs/dbraw/zinc/10/01/44/538100144.db2.gz DOWKWUULFWBZGL-UHFFFAOYSA-N 1 0 233.355 3.502 10 0 BHAERO CC(C)CC[NH2+]CCC1CCC(F)(F)CC1 ZINC000725268932 541338569 /nfs/dbraw/zinc/33/85/69/541338569.db2.gz HAEVEOAFPCRVNH-UHFFFAOYSA-N 1 0 233.346 3.838 10 0 BHAERO FC1(F)CCC(CC[NH2+]CC2CCCC2)CC1 ZINC000725269139 538101593 /nfs/dbraw/zinc/10/15/93/538101593.db2.gz MBHSEDQLKFZYQH-UHFFFAOYSA-N 1 0 245.357 3.982 10 0 BHAERO CC[C@@H](C)C[NH2+]CCC1CCC(F)(F)CC1 ZINC000725269815 541339243 /nfs/dbraw/zinc/33/92/43/541339243.db2.gz ZHJRBPRVVCFDLZ-LLVKDONJSA-N 1 0 233.346 3.838 10 0 BHAERO CC[C@H](C)C[NH2+]CCC1CCC(F)(F)CC1 ZINC000725269816 541339216 /nfs/dbraw/zinc/33/92/16/541339216.db2.gz ZHJRBPRVVCFDLZ-NSHDSACASA-N 1 0 233.346 3.838 10 0 BHAERO C[C@H]1CCC[C@H](c2c(F)cccc2Cl)[NH2+]1 ZINC000725270959 538103051 /nfs/dbraw/zinc/10/30/51/538103051.db2.gz WGFFMWCGLJTWSU-GZMMTYOYSA-N 1 0 227.710 3.682 10 0 BHAERO C[C@@H]1CCC[C@@H](c2c(F)cccc2Cl)[NH2+]1 ZINC000725270961 538103141 /nfs/dbraw/zinc/10/31/41/538103141.db2.gz WGFFMWCGLJTWSU-KCJUWKMLSA-N 1 0 227.710 3.682 10 0 BHAERO C[C@H]1CCC[C@@H](c2c(F)cccc2Cl)[NH2+]1 ZINC000725270963 538103077 /nfs/dbraw/zinc/10/30/77/538103077.db2.gz WGFFMWCGLJTWSU-KWQFWETISA-N 1 0 227.710 3.682 10 0 BHAERO C[C@@H]1CCC[C@H](c2c(F)cccc2Cl)[NH2+]1 ZINC000725270965 538103165 /nfs/dbraw/zinc/10/31/65/538103165.db2.gz WGFFMWCGLJTWSU-LDYMZIIASA-N 1 0 227.710 3.682 10 0 BHAERO CC(C)c1csc(C2=CC[C@@](C)([NH3+])CC2)n1 ZINC000725273220 538104733 /nfs/dbraw/zinc/10/47/33/538104733.db2.gz XRQZGIVNESHCDP-CYBMUJFWSA-N 1 0 236.384 3.551 10 0 BHAERO CC(C)c1csc(C2=CC[C@](C)([NH3+])CC2)n1 ZINC000725273221 538104777 /nfs/dbraw/zinc/10/47/77/538104777.db2.gz XRQZGIVNESHCDP-ZDUSSCGKSA-N 1 0 236.384 3.551 10 0 BHAERO CCCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273609 541341209 /nfs/dbraw/zinc/34/12/09/541341209.db2.gz OSBBBYOXAYNWPF-UHFFFAOYSA-N 1 0 239.403 3.504 10 0 BHAERO CC[C@@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000725273649 541341118 /nfs/dbraw/zinc/34/11/18/541341118.db2.gz SDCBEULVCXXCDV-GFCCVEGCSA-N 1 0 243.272 3.909 10 0 BHAERO CC[C@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000725273650 541341113 /nfs/dbraw/zinc/34/11/13/541341113.db2.gz SDCBEULVCXXCDV-LBPRGKRZSA-N 1 0 243.272 3.909 10 0 BHAERO CC[C@@H](C)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273662 541341289 /nfs/dbraw/zinc/34/12/89/541341289.db2.gz SWBOQKVZIGIHSV-DNOWBOINSA-N 1 0 239.403 3.502 10 0 BHAERO CC[C@H](C)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273663 538104848 /nfs/dbraw/zinc/10/48/48/538104848.db2.gz SWBOQKVZIGIHSV-OPFPJEHXSA-N 1 0 239.403 3.502 10 0 BHAERO Cc1cc(O)c(C(C)(C)C)cc1[C@@H]([NH3+])C(C)C ZINC000757131749 582506161 /nfs/dbraw/zinc/50/61/61/582506161.db2.gz CZKSEJAMDNXARF-AWEZNQCLSA-N 1 0 235.371 3.654 10 0 BHAERO Cc1cc(O)c(C(C)(C)C)cc1[C@H]([NH3+])C(C)C ZINC000757131754 582506483 /nfs/dbraw/zinc/50/64/83/582506483.db2.gz CZKSEJAMDNXARF-CQSZACIVSA-N 1 0 235.371 3.654 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(O)c([C@@H](C)CC)c1 ZINC000757132164 582507440 /nfs/dbraw/zinc/50/74/40/582507440.db2.gz FBWWPUGSGMFYEB-GWCFXTLKSA-N 1 0 221.344 3.706 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(O)c([C@@H](C)CC)c1 ZINC000757132258 582507125 /nfs/dbraw/zinc/50/71/25/582507125.db2.gz FBWWPUGSGMFYEB-GXFFZTMASA-N 1 0 221.344 3.706 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(O)c([C@H](C)CC)c1 ZINC000757132296 586426081 /nfs/dbraw/zinc/42/60/81/586426081.db2.gz FBWWPUGSGMFYEB-MFKMUULPSA-N 1 0 221.344 3.706 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(O)c([C@H](C)CC)c1 ZINC000757132301 586426481 /nfs/dbraw/zinc/42/64/81/586426481.db2.gz FBWWPUGSGMFYEB-ZWNOBZJWSA-N 1 0 221.344 3.706 10 0 BHAERO Cc1cc([C@@H]([NH3+])CC(C)C)c(C(C)C)cc1O ZINC000757132355 582506987 /nfs/dbraw/zinc/50/69/87/582506987.db2.gz FIGYDKLGJLDJIF-AWEZNQCLSA-N 1 0 235.371 3.870 10 0 BHAERO Cc1cc([C@H]([NH3+])CC(C)C)c(C(C)C)cc1O ZINC000757132360 582506677 /nfs/dbraw/zinc/50/66/77/582506677.db2.gz FIGYDKLGJLDJIF-CQSZACIVSA-N 1 0 235.371 3.870 10 0 BHAERO CC(C)c1cc([C@@H]([NH3+])c2ccccc2)ccc1O ZINC000757132397 582506763 /nfs/dbraw/zinc/50/67/63/582506763.db2.gz GGMFXOQEOSBNEX-INIZCTEOSA-N 1 0 241.334 3.564 10 0 BHAERO CC(C)c1cc([C@H]([NH3+])c2ccccc2)ccc1O ZINC000757132409 582506634 /nfs/dbraw/zinc/50/66/34/582506634.db2.gz GGMFXOQEOSBNEX-MRXNPFEDSA-N 1 0 241.334 3.564 10 0 BHAERO [NH3+][C@@H](CF)c1ccc(C2CCCCC2)cc1 ZINC000757132566 582507559 /nfs/dbraw/zinc/50/75/59/582507559.db2.gz CDBVYJHJMCSBCI-AWEZNQCLSA-N 1 0 221.319 3.704 10 0 BHAERO [NH3+][C@H](CF)c1ccc(C2CCCCC2)cc1 ZINC000757132576 582507778 /nfs/dbraw/zinc/50/77/78/582507778.db2.gz CDBVYJHJMCSBCI-CQSZACIVSA-N 1 0 221.319 3.704 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(O)c(C(C)C)c1 ZINC000757132624 643258544 /nfs/dbraw/zinc/25/85/44/643258544.db2.gz HVMCBNJCHKEKCD-CYBMUJFWSA-N 1 0 221.344 3.562 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(O)c(C(C)C)c1 ZINC000757132638 582507950 /nfs/dbraw/zinc/50/79/50/582507950.db2.gz HVMCBNJCHKEKCD-ZDUSSCGKSA-N 1 0 221.344 3.562 10 0 BHAERO [NH3+][C@@H](c1ccccc1)c1ccc(O)c2ccccc21 ZINC000757132680 643257994 /nfs/dbraw/zinc/25/79/94/643257994.db2.gz IKSDJXOQYAMYCX-KRWDZBQOSA-N 1 0 249.313 3.594 10 0 BHAERO [NH3+][C@H](c1ccccc1)c1ccc(O)c2ccccc21 ZINC000757132683 643257419 /nfs/dbraw/zinc/25/74/19/643257419.db2.gz IKSDJXOQYAMYCX-QGZVFWFLSA-N 1 0 249.313 3.594 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000757132912 582508477 /nfs/dbraw/zinc/50/84/77/582508477.db2.gz MUQALBUPSHBETJ-AWEZNQCLSA-N 1 0 229.323 3.591 10 0 BHAERO CC(C)(C)[C@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000757132920 643257668 /nfs/dbraw/zinc/25/76/68/643257668.db2.gz MUQALBUPSHBETJ-CQSZACIVSA-N 1 0 229.323 3.591 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C(C)C)c(O)cc1C ZINC000757132924 582508135 /nfs/dbraw/zinc/50/81/35/582508135.db2.gz MVQQYTYIWQPSIS-CYBMUJFWSA-N 1 0 221.344 3.624 10 0 BHAERO CCC[C@H]([NH3+])c1cc(C(C)C)c(O)cc1C ZINC000757132935 582508482 /nfs/dbraw/zinc/50/84/82/582508482.db2.gz MVQQYTYIWQPSIS-ZDUSSCGKSA-N 1 0 221.344 3.624 10 0 BHAERO CC[C@@H](C)c1cc([C@H]([NH3+])CC(C)C)ccc1O ZINC000757133314 582509820 /nfs/dbraw/zinc/50/98/20/582509820.db2.gz PWZGZTPVUAJFTJ-BXUZGUMPSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@H](C)c1cc([C@@H]([NH3+])CC(C)C)ccc1O ZINC000757133316 582509672 /nfs/dbraw/zinc/50/96/72/582509672.db2.gz PWZGZTPVUAJFTJ-FZMZJTMJSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@@H](C)c1cc([C@@H]([NH3+])CC(C)C)ccc1O ZINC000757133328 582509674 /nfs/dbraw/zinc/50/96/74/582509674.db2.gz PWZGZTPVUAJFTJ-RISCZKNCSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@H](C)c1cc([C@H]([NH3+])CC(C)C)ccc1O ZINC000757133337 582509579 /nfs/dbraw/zinc/50/95/79/582509579.db2.gz PWZGZTPVUAJFTJ-SMDDNHRTSA-N 1 0 235.371 3.952 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C)c(O)cc1C(C)C ZINC000757133442 582509516 /nfs/dbraw/zinc/50/95/16/582509516.db2.gz RNHAWCFRWOWMIA-CYBMUJFWSA-N 1 0 221.344 3.624 10 0 BHAERO CCC[C@H]([NH3+])c1cc(C)c(O)cc1C(C)C ZINC000757133469 582509951 /nfs/dbraw/zinc/50/99/51/582509951.db2.gz RNHAWCFRWOWMIA-ZDUSSCGKSA-N 1 0 221.344 3.624 10 0 BHAERO CC(C)c1cc([C@@H]([NH3+])C(C)(C)C)ccc1O ZINC000757133844 582510608 /nfs/dbraw/zinc/51/06/08/582510608.db2.gz YYOIODYOEPHPQX-CYBMUJFWSA-N 1 0 221.344 3.562 10 0 BHAERO CC(C)c1cc([C@H]([NH3+])C(C)(C)C)ccc1O ZINC000757133848 582510383 /nfs/dbraw/zinc/51/03/83/582510383.db2.gz YYOIODYOEPHPQX-ZDUSSCGKSA-N 1 0 221.344 3.562 10 0 BHAERO [NH3+][C@H](CF)c1ccc(Oc2ccccc2)c(F)c1 ZINC000757135539 582514516 /nfs/dbraw/zinc/51/45/16/582514516.db2.gz UKWKJSYRUYXIEI-CYBMUJFWSA-N 1 0 249.260 3.587 10 0 BHAERO [NH3+][C@@H](CF)c1ccc(Oc2ccccc2)c(F)c1 ZINC000757135540 582514525 /nfs/dbraw/zinc/51/45/25/582514525.db2.gz UKWKJSYRUYXIEI-ZDUSSCGKSA-N 1 0 249.260 3.587 10 0 BHAERO CC(C)[C@H]1OC2(CCC(C)CC2)[NH2+]CC1(C)C ZINC000757138310 582517412 /nfs/dbraw/zinc/51/74/12/582517412.db2.gz BKSXEOSVPXGDPM-JVWICGRDSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1OC2(CCC(C)CC2)[NH2+]CC1(C)C ZINC000757138314 582517403 /nfs/dbraw/zinc/51/74/03/582517403.db2.gz BKSXEOSVPXGDPM-OWYJLGKBSA-N 1 0 239.403 3.563 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CC1(CC1)C1(CCC1)O2 ZINC000757138638 582518429 /nfs/dbraw/zinc/51/84/29/582518429.db2.gz CWUAJWIODJDVIF-UHFFFAOYSA-N 1 0 249.398 3.606 10 0 BHAERO CCC1(CC)OC2(CCCCC2)[NH2+]CC1(C)C ZINC000757138648 582518413 /nfs/dbraw/zinc/51/84/13/582518413.db2.gz DCBWQMLIHCTOTC-UHFFFAOYSA-N 1 0 239.403 3.852 10 0 BHAERO CC1(C)C[NH2+]C2(CC(C)(C)CC(C)(C)C2)OC1 ZINC000757138968 586427898 /nfs/dbraw/zinc/42/78/98/586427898.db2.gz AYIBCVCFNXIKGR-UHFFFAOYSA-N 1 0 239.403 3.565 10 0 BHAERO CC1CCC2(CC1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757139028 582519290 /nfs/dbraw/zinc/51/92/90/582519290.db2.gz FLNUJWGRDIEXFO-UHFFFAOYSA-N 1 0 249.398 3.606 10 0 BHAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139117 582519238 /nfs/dbraw/zinc/51/92/38/582519238.db2.gz FUHMWFKUUGEGCN-DOMZBBRYSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139119 582519172 /nfs/dbraw/zinc/51/91/72/582519172.db2.gz FUHMWFKUUGEGCN-IUODEOHRSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139123 582519316 /nfs/dbraw/zinc/51/93/16/582519316.db2.gz FUHMWFKUUGEGCN-SWLSCSKDSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139128 582518881 /nfs/dbraw/zinc/51/88/81/582518881.db2.gz FUHMWFKUUGEGCN-WFASDCNBSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757139177 582519657 /nfs/dbraw/zinc/51/96/57/582519657.db2.gz DRLBLGFESIWYKN-GFCCVEGCSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757139180 582519486 /nfs/dbraw/zinc/51/94/86/582519486.db2.gz DRLBLGFESIWYKN-LBPRGKRZSA-N 1 0 239.403 3.708 10 0 BHAERO CC1(C)CC[C@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757139355 582518902 /nfs/dbraw/zinc/51/89/02/582518902.db2.gz GXLIKBIIHNCQGL-INIZCTEOSA-N 1 0 249.398 3.606 10 0 BHAERO CC1(C)CC[C@@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757139357 582519919 /nfs/dbraw/zinc/51/99/19/582519919.db2.gz GXLIKBIIHNCQGL-MRXNPFEDSA-N 1 0 249.398 3.606 10 0 BHAERO C1CC[C@@H]2[NH2+]C3(CCCCCCC3)OC[C@@H]2C1 ZINC000757139787 582520334 /nfs/dbraw/zinc/52/03/34/582520334.db2.gz HTGGKASXVLRXBD-KBPBESRZSA-N 1 0 237.387 3.606 10 0 BHAERO C1CC[C@@H]2[NH2+]C3(CCCCCCC3)OC[C@H]2C1 ZINC000757139791 582520409 /nfs/dbraw/zinc/52/04/09/582520409.db2.gz HTGGKASXVLRXBD-KGLIPLIRSA-N 1 0 237.387 3.606 10 0 BHAERO C1CC[C@H]2[NH2+]C3(CCCCCCC3)OC[C@@H]2C1 ZINC000757139794 582520168 /nfs/dbraw/zinc/52/01/68/582520168.db2.gz HTGGKASXVLRXBD-UONOGXRCSA-N 1 0 237.387 3.606 10 0 BHAERO C1CC[C@@H]2COC3(CCCCCCC3)[NH2+][C@@H]2C1 ZINC000757139796 582520249 /nfs/dbraw/zinc/52/02/49/582520249.db2.gz HTGGKASXVLRXBD-ZIAGYGMSSA-N 1 0 237.387 3.606 10 0 BHAERO CC1(C)CCC[C@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139864 586427852 /nfs/dbraw/zinc/42/78/52/586427852.db2.gz HVSRSOZXZMOZHU-HNNXBMFYSA-N 1 0 239.403 3.708 10 0 BHAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139872 586427900 /nfs/dbraw/zinc/42/79/00/586427900.db2.gz HVSRSOZXZMOZHU-OAHLLOKOSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757139943 582520542 /nfs/dbraw/zinc/52/05/42/582520542.db2.gz ADISBDIIJCSIFC-CYBMUJFWSA-N 1 0 239.403 3.709 10 0 BHAERO CC(C)(C)[C@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757139950 582520484 /nfs/dbraw/zinc/52/04/84/582520484.db2.gz ADISBDIIJCSIFC-ZDUSSCGKSA-N 1 0 239.403 3.709 10 0 BHAERO CCCC1(CCC)[NH2+]C[C@@H](C(C)(C)C)CO1 ZINC000757140012 582520165 /nfs/dbraw/zinc/52/01/65/582520165.db2.gz ANCGIAXAARBVOU-GFCCVEGCSA-N 1 0 227.392 3.565 10 0 BHAERO CCCC1(CCC)[NH2+]C[C@H](C(C)(C)C)CO1 ZINC000757140058 582520369 /nfs/dbraw/zinc/52/03/69/582520369.db2.gz ANCGIAXAARBVOU-LBPRGKRZSA-N 1 0 227.392 3.565 10 0 BHAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757140080 582521031 /nfs/dbraw/zinc/52/10/31/582521031.db2.gz INYRKRXJEOWDSW-JYAVWHMHSA-N 1 0 239.403 3.563 10 0 BHAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757140095 582521050 /nfs/dbraw/zinc/52/10/50/582521050.db2.gz INYRKRXJEOWDSW-RYUDHWBXSA-N 1 0 239.403 3.563 10 0 BHAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757140111 582520879 /nfs/dbraw/zinc/52/08/79/582520879.db2.gz INYRKRXJEOWDSW-VXGBXAGGSA-N 1 0 239.403 3.563 10 0 BHAERO C[C@@H]1CC(C)(C)OC2(CCCCCCC2)[NH2+]1 ZINC000757140127 582520728 /nfs/dbraw/zinc/52/07/28/582520728.db2.gz ARJGXSHOUXCYLD-GFCCVEGCSA-N 1 0 225.376 3.604 10 0 BHAERO C[C@H]1CC(C)(C)OC2(CCCCCCC2)[NH2+]1 ZINC000757140132 582521069 /nfs/dbraw/zinc/52/10/69/582521069.db2.gz ARJGXSHOUXCYLD-LBPRGKRZSA-N 1 0 225.376 3.604 10 0 BHAERO CCC1(CC)CC[NH2+]C2(C[C@H](C)C[C@@H](C)C2)O1 ZINC000757140337 586427855 /nfs/dbraw/zinc/42/78/55/586427855.db2.gz IZUSJNMDUXAVKY-CHWSQXEVSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1(CC)CC[NH2+][C@@]2(C[C@H](C)C[C@H](C)C2)O1 ZINC000757140367 582521146 /nfs/dbraw/zinc/52/11/46/582521146.db2.gz IZUSJNMDUXAVKY-NHAGDIPZSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1(CC)CC[NH2+]C2(C[C@@H](C)C[C@H](C)C2)O1 ZINC000757140381 586427830 /nfs/dbraw/zinc/42/78/30/586427830.db2.gz IZUSJNMDUXAVKY-STQMWFEESA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)C1CCC2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757140639 582520955 /nfs/dbraw/zinc/52/09/55/582520955.db2.gz NWUBEGLFKQEGSC-UHFFFAOYSA-N 1 0 239.403 3.565 10 0 BHAERO CCC[C@@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757140693 582520942 /nfs/dbraw/zinc/52/09/42/582520942.db2.gz AOZMMXBYAOWJEP-CYBMUJFWSA-N 1 0 225.763 3.708 10 0 BHAERO CCC[C@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757140704 582520822 /nfs/dbraw/zinc/52/08/22/582520822.db2.gz AOZMMXBYAOWJEP-ZDUSSCGKSA-N 1 0 225.763 3.708 10 0 BHAERO Cc1cc(C[C@@](C)([NH3+])C(C)C)ccc1Cl ZINC000757140759 582520988 /nfs/dbraw/zinc/52/09/88/582520988.db2.gz BFYXHYHQKYLCOQ-CYBMUJFWSA-N 1 0 225.763 3.564 10 0 BHAERO Cc1cc(C[C@](C)([NH3+])C(C)C)ccc1Cl ZINC000757140761 582520835 /nfs/dbraw/zinc/52/08/35/582520835.db2.gz BFYXHYHQKYLCOQ-ZDUSSCGKSA-N 1 0 225.763 3.564 10 0 BHAERO CC1(C)CCC[C@]2(C1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757140787 582521142 /nfs/dbraw/zinc/52/11/42/582521142.db2.gz BXZNDLTZASTKHB-DOMZBBRYSA-N 1 0 249.354 3.627 10 0 BHAERO CC1(C)CCC[C@@]2(C1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757140791 582521440 /nfs/dbraw/zinc/52/14/40/582521440.db2.gz BXZNDLTZASTKHB-IUODEOHRSA-N 1 0 249.354 3.627 10 0 BHAERO CC1(C)CCC[C@@]2(C1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757140797 582520936 /nfs/dbraw/zinc/52/09/36/582520936.db2.gz BXZNDLTZASTKHB-SWLSCSKDSA-N 1 0 249.354 3.627 10 0 BHAERO CC1(C)CCC[C@]2(C1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757140800 582520978 /nfs/dbraw/zinc/52/09/78/582520978.db2.gz BXZNDLTZASTKHB-WFASDCNBSA-N 1 0 249.354 3.627 10 0 BHAERO CC(C)(C)C1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757141336 582522133 /nfs/dbraw/zinc/52/21/33/582522133.db2.gz ABISBFJAUFOMRM-UHFFFAOYSA-N 1 0 239.403 3.708 10 0 BHAERO CCC[C@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757141562 582522655 /nfs/dbraw/zinc/52/26/55/582522655.db2.gz CKJXBIZRVMLKON-DZGCQCFKSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757141584 586427381 /nfs/dbraw/zinc/42/73/81/586427381.db2.gz CKJXBIZRVMLKON-HIFRSBDPSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757141589 586427343 /nfs/dbraw/zinc/42/73/43/586427343.db2.gz CKJXBIZRVMLKON-UKRRQHHQSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757141597 586427756 /nfs/dbraw/zinc/42/77/56/586427756.db2.gz CKJXBIZRVMLKON-ZFWWWQNUSA-N 1 0 239.403 3.852 10 0 BHAERO CCC(C)(C)C1CCC2(CC1)[NH2+][C@H](C)CCO2 ZINC000757141694 582522249 /nfs/dbraw/zinc/52/22/49/582522249.db2.gz ALZVDAISEZMRET-DNOWBOINSA-N 1 0 239.403 3.708 10 0 BHAERO CCC(C)(C)C1CCC2(CC1)[NH2+][C@@H](C)CCO2 ZINC000757141733 582522517 /nfs/dbraw/zinc/52/25/17/582522517.db2.gz ALZVDAISEZMRET-OPFPJEHXSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757141839 586427933 /nfs/dbraw/zinc/42/79/33/586427933.db2.gz JXFISGXOZMJWJB-BBRMVZONSA-N 1 0 249.398 3.606 10 0 BHAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757141844 643301269 /nfs/dbraw/zinc/30/12/69/643301269.db2.gz JXFISGXOZMJWJB-CJNGLKHVSA-N 1 0 249.398 3.606 10 0 BHAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757141877 586427375 /nfs/dbraw/zinc/42/73/75/586427375.db2.gz JXFISGXOZMJWJB-CZUORRHYSA-N 1 0 249.398 3.606 10 0 BHAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757141896 643302154 /nfs/dbraw/zinc/30/21/54/643302154.db2.gz JXFISGXOZMJWJB-XJKSGUPXSA-N 1 0 249.398 3.606 10 0 BHAERO CC1(C)CC[C@@]2(C1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757141957 582522433 /nfs/dbraw/zinc/52/24/33/582522433.db2.gz STIYQDOUSXCBRW-GDBMZVCRSA-N 1 0 245.366 3.644 10 0 BHAERO CC1(C)CC[C@@]2(C1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757141964 582522231 /nfs/dbraw/zinc/52/22/31/582522231.db2.gz STIYQDOUSXCBRW-GOEBONIOSA-N 1 0 245.366 3.644 10 0 BHAERO CC1(C)CC[C@]2(C1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757141977 582522389 /nfs/dbraw/zinc/52/23/89/582522389.db2.gz STIYQDOUSXCBRW-HOCLYGCPSA-N 1 0 245.366 3.644 10 0 BHAERO CC1(C)CC[C@]2(C1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757142000 582522511 /nfs/dbraw/zinc/52/25/11/582522511.db2.gz STIYQDOUSXCBRW-ZBFHGGJFSA-N 1 0 245.366 3.644 10 0 BHAERO CC(C)(C)[C@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757142045 643303000 /nfs/dbraw/zinc/30/30/00/643303000.db2.gz TTWKVCBEXBGIDN-CYBMUJFWSA-N 1 0 239.403 3.852 10 0 BHAERO CC(C)(C)[C@@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757142052 643302354 /nfs/dbraw/zinc/30/23/54/643302354.db2.gz TTWKVCBEXBGIDN-ZDUSSCGKSA-N 1 0 239.403 3.852 10 0 BHAERO CC1(C)CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757142267 586428051 /nfs/dbraw/zinc/42/80/51/586428051.db2.gz BVUVXMNHTLSQFD-HNNXBMFYSA-N 1 0 237.387 3.606 10 0 BHAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757142275 586428351 /nfs/dbraw/zinc/42/83/51/586428351.db2.gz BVUVXMNHTLSQFD-OAHLLOKOSA-N 1 0 237.387 3.606 10 0 BHAERO CC[C@H](C)c1cc([C@@H]([NH3+])C(C)C)ccc1O ZINC000757142430 643303504 /nfs/dbraw/zinc/30/35/04/643303504.db2.gz CJSUADZMONVNKU-HZMBPMFUSA-N 1 0 221.344 3.562 10 0 BHAERO CC[C@H](C)c1cc([C@H]([NH3+])C(C)C)ccc1O ZINC000757142431 643303972 /nfs/dbraw/zinc/30/39/72/643303972.db2.gz CJSUADZMONVNKU-IINYFYTJSA-N 1 0 221.344 3.562 10 0 BHAERO CC[C@@H](C)c1cc([C@H]([NH3+])C(C)C)ccc1O ZINC000757142432 643304107 /nfs/dbraw/zinc/30/41/07/643304107.db2.gz CJSUADZMONVNKU-QMTHXVAHSA-N 1 0 221.344 3.562 10 0 BHAERO CC[C@@H](C)c1cc([C@@H]([NH3+])C(C)C)ccc1O ZINC000757142473 643304023 /nfs/dbraw/zinc/30/40/23/643304023.db2.gz CJSUADZMONVNKU-YGRLFVJLSA-N 1 0 221.344 3.562 10 0 BHAERO CCC1(CC)[NH2+]CC(C)(C)C(CC)(CC)O1 ZINC000757142678 582523027 /nfs/dbraw/zinc/52/30/27/582523027.db2.gz LPOSQBHDRIDHLX-UHFFFAOYSA-N 1 0 227.392 3.708 10 0 BHAERO CC1CCC2(CC1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757143066 582523640 /nfs/dbraw/zinc/52/36/40/582523640.db2.gz VHPRSNYYZAITTK-OGVSOVDVSA-N 1 0 245.366 3.644 10 0 BHAERO CC1CCC2(CC1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757143082 582523046 /nfs/dbraw/zinc/52/30/46/582523046.db2.gz VHPRSNYYZAITTK-SIWZUTFBSA-N 1 0 245.366 3.644 10 0 BHAERO CCC1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757143158 582523440 /nfs/dbraw/zinc/52/34/40/582523440.db2.gz VKFVDOSPCXFPEL-JVWICGRDSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1CCC2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757143159 582523357 /nfs/dbraw/zinc/52/33/57/582523357.db2.gz VKFVDOSPCXFPEL-OWYJLGKBSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757143182 582523191 /nfs/dbraw/zinc/52/31/91/582523191.db2.gz VPASACSXQBAIGU-DOMZBBRYSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757143184 582523275 /nfs/dbraw/zinc/52/32/75/582523275.db2.gz VPASACSXQBAIGU-IUODEOHRSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757143193 582523633 /nfs/dbraw/zinc/52/36/33/582523633.db2.gz VPASACSXQBAIGU-SWLSCSKDSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757143199 582523419 /nfs/dbraw/zinc/52/34/19/582523419.db2.gz VPASACSXQBAIGU-WFASDCNBSA-N 1 0 239.403 3.708 10 0 BHAERO CCCC1(CCC)[NH2+][C@@H](C(C)(C)C)CCO1 ZINC000757143374 586428199 /nfs/dbraw/zinc/42/81/99/586428199.db2.gz WFLDPHJUZDRULG-GFCCVEGCSA-N 1 0 227.392 3.708 10 0 BHAERO CCCC1(CCC)[NH2+][C@H](C(C)(C)C)CCO1 ZINC000757143375 586428394 /nfs/dbraw/zinc/42/83/94/586428394.db2.gz WFLDPHJUZDRULG-LBPRGKRZSA-N 1 0 227.392 3.708 10 0 BHAERO CC[C@H]([NH3+])[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757143476 582523699 /nfs/dbraw/zinc/52/36/99/582523699.db2.gz HORAIAUDQMRLBO-GWCFXTLKSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@H]([NH3+])[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757143484 643307599 /nfs/dbraw/zinc/30/75/99/643307599.db2.gz HORAIAUDQMRLBO-GXFFZTMASA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@H]([NH3+])[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757143487 643308036 /nfs/dbraw/zinc/30/80/36/643308036.db2.gz HORAIAUDQMRLBO-MFKMUULPSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@H]([NH3+])[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757143490 643307421 /nfs/dbraw/zinc/30/74/21/643307421.db2.gz HORAIAUDQMRLBO-ZWNOBZJWSA-N 1 0 225.763 3.564 10 0 BHAERO CC1(C)CCC2(CC1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757143560 643307511 /nfs/dbraw/zinc/30/75/11/643307511.db2.gz DSILVFMUJICEKX-GFCCVEGCSA-N 1 0 249.354 3.627 10 0 BHAERO CC1(C)CCC2(CC1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757143595 582524045 /nfs/dbraw/zinc/52/40/45/582524045.db2.gz DSILVFMUJICEKX-LBPRGKRZSA-N 1 0 249.354 3.627 10 0 BHAERO CC(C)[C@H]1C[NH2+][C@]2(CCCC(C)(C)CC2)OC1 ZINC000757143601 582523813 /nfs/dbraw/zinc/52/38/13/582523813.db2.gz DTOUESLLMPJZCI-DZGCQCFKSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)[C@@H]1C[NH2+][C@@]2(CCCC(C)(C)CC2)OC1 ZINC000757143605 582523814 /nfs/dbraw/zinc/52/38/14/582523814.db2.gz DTOUESLLMPJZCI-HIFRSBDPSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)[C@@H]1C[NH2+][C@]2(CCCC(C)(C)CC2)OC1 ZINC000757143611 582523889 /nfs/dbraw/zinc/52/38/89/582523889.db2.gz DTOUESLLMPJZCI-UKRRQHHQSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)[C@H]1C[NH2+][C@@]2(CCCC(C)(C)CC2)OC1 ZINC000757143614 582523860 /nfs/dbraw/zinc/52/38/60/582523860.db2.gz DTOUESLLMPJZCI-ZFWWWQNUSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)[C@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757143635 582523935 /nfs/dbraw/zinc/52/39/35/582523935.db2.gz DZJOBYMJOJWCFK-INIZCTEOSA-N 1 0 241.334 3.715 10 0 BHAERO CC(C)[C@@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757143641 582524014 /nfs/dbraw/zinc/52/40/14/582524014.db2.gz DZJOBYMJOJWCFK-MRXNPFEDSA-N 1 0 241.334 3.715 10 0 BHAERO CC[C@H](C)c1cc([C@H]([NH3+])C(C)(C)C)ccc1O ZINC000757143807 582524575 /nfs/dbraw/zinc/52/45/75/582524575.db2.gz GBQFTIMVWHEFCS-HZMBPMFUSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@H](C)c1cc([C@@H]([NH3+])C(C)(C)C)ccc1O ZINC000757143808 582524460 /nfs/dbraw/zinc/52/44/60/582524460.db2.gz GBQFTIMVWHEFCS-IINYFYTJSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@@H](C)c1cc([C@@H]([NH3+])C(C)(C)C)ccc1O ZINC000757143811 582524603 /nfs/dbraw/zinc/52/46/03/582524603.db2.gz GBQFTIMVWHEFCS-QMTHXVAHSA-N 1 0 235.371 3.952 10 0 BHAERO CC[C@@H](C)c1cc([C@H]([NH3+])C(C)(C)C)ccc1O ZINC000757143821 582524533 /nfs/dbraw/zinc/52/45/33/582524533.db2.gz GBQFTIMVWHEFCS-YGRLFVJLSA-N 1 0 235.371 3.952 10 0 BHAERO CCC1(CC)CC[NH2+][C@@]2(CCCC(C)(C)C2)O1 ZINC000757144259 643315291 /nfs/dbraw/zinc/31/52/91/643315291.db2.gz NKXSTEXFNLAFDS-HNNXBMFYSA-N 1 0 239.403 3.852 10 0 BHAERO CCC1(CC)CC[NH2+][C@]2(CCCC(C)(C)C2)O1 ZINC000757144266 643315334 /nfs/dbraw/zinc/31/53/34/643315334.db2.gz NKXSTEXFNLAFDS-OAHLLOKOSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@H]1CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757144469 582526201 /nfs/dbraw/zinc/52/62/01/582526201.db2.gz OGXHPCQXFSHWBN-DZGCQCFKSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@@H]1CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757144471 582526127 /nfs/dbraw/zinc/52/61/27/582526127.db2.gz OGXHPCQXFSHWBN-HIFRSBDPSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@@H]1CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757144472 582526219 /nfs/dbraw/zinc/52/62/19/582526219.db2.gz OGXHPCQXFSHWBN-UKRRQHHQSA-N 1 0 239.403 3.852 10 0 BHAERO CCC[C@H]1CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757144474 582526239 /nfs/dbraw/zinc/52/62/39/582526239.db2.gz OGXHPCQXFSHWBN-ZFWWWQNUSA-N 1 0 239.403 3.852 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CCC(CC)(CC)O2 ZINC000757144784 582525277 /nfs/dbraw/zinc/52/52/77/582525277.db2.gz NVAAJYNVAPTDPA-UHFFFAOYSA-N 1 0 239.403 3.852 10 0 BHAERO C[C@@H]1C[C@H](C)OC2(CCC(C(C)(C)C)CC2)[NH2+]1 ZINC000757145033 582526716 /nfs/dbraw/zinc/52/67/16/582526716.db2.gz HQNPPAZVNMQMRY-ATAKMUTHSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@@H]1C[C@H](C)[NH2+]C2(CCC(C(C)(C)C)CC2)O1 ZINC000757145036 582526622 /nfs/dbraw/zinc/52/66/22/582526622.db2.gz HQNPPAZVNMQMRY-HJZMNPPUSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@@H]1C[C@@H](C)OC2(CCC(C(C)(C)C)CC2)[NH2+]1 ZINC000757145038 582526718 /nfs/dbraw/zinc/52/67/18/582526718.db2.gz HQNPPAZVNMQMRY-SIUPQYRZSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@H]1C[C@H](C)OC2(CCC(C(C)(C)C)CC2)[NH2+]1 ZINC000757145042 582526666 /nfs/dbraw/zinc/52/66/66/582526666.db2.gz HQNPPAZVNMQMRY-YKQCJFHZSA-N 1 0 239.403 3.706 10 0 BHAERO CCC1(CC)C[NH2+][C@@]2(CCCC(C)(C)C2)OC1 ZINC000757145054 582526576 /nfs/dbraw/zinc/52/65/76/582526576.db2.gz HMKFYYNMLRBWTG-HNNXBMFYSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)C[NH2+][C@]2(CCCC(C)(C)C2)OC1 ZINC000757145061 582526960 /nfs/dbraw/zinc/52/69/60/582526960.db2.gz HMKFYYNMLRBWTG-OAHLLOKOSA-N 1 0 239.403 3.709 10 0 BHAERO CC1(C)CC(C)(C)CC2(C1)[NH2+]CCC(C)(C)O2 ZINC000757145073 582526894 /nfs/dbraw/zinc/52/68/94/582526894.db2.gz HPRLPVAIJSOHRJ-UHFFFAOYSA-N 1 0 239.403 3.708 10 0 BHAERO C1CCC2(C1)C[NH2+]C1(CCCCCCC1)OC2 ZINC000757145169 582528012 /nfs/dbraw/zinc/52/80/12/582528012.db2.gz PXBZUYRRDFYXNN-UHFFFAOYSA-N 1 0 237.387 3.607 10 0 BHAERO Cc1cc([C@H]([NH3+])C(C)(C)C)c(C(C)C)cc1O ZINC000757145227 582527099 /nfs/dbraw/zinc/52/70/99/582527099.db2.gz LAWPVVKMBLGXGO-AWEZNQCLSA-N 1 0 235.371 3.870 10 0 BHAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)c(C(C)C)cc1O ZINC000757145230 582526944 /nfs/dbraw/zinc/52/69/44/582526944.db2.gz LAWPVVKMBLGXGO-CQSZACIVSA-N 1 0 235.371 3.870 10 0 BHAERO CC[C@@H]1CC[NH2+]C2(CC(C)(C)CC(C)(C)C2)O1 ZINC000757145234 582526886 /nfs/dbraw/zinc/52/68/86/582526886.db2.gz PYVWMKIXMJIUPU-GFCCVEGCSA-N 1 0 239.403 3.708 10 0 BHAERO CC[C@H]1CC[NH2+]C2(CC(C)(C)CC(C)(C)C2)O1 ZINC000757145235 582527058 /nfs/dbraw/zinc/52/70/58/582527058.db2.gz PYVWMKIXMJIUPU-LBPRGKRZSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCC(C)(C)CC2)OC1 ZINC000757145261 582526865 /nfs/dbraw/zinc/52/68/65/582526865.db2.gz IEDXDXSVFXKMAG-GFCCVEGCSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)(C)[C@H]1C[NH2+]C2(CCC(C)(C)CC2)OC1 ZINC000757145267 582527400 /nfs/dbraw/zinc/52/74/00/582527400.db2.gz IEDXDXSVFXKMAG-LBPRGKRZSA-N 1 0 239.403 3.565 10 0 BHAERO CCC([NH3+])(CC)Cc1ccc(Cl)c(C)c1 ZINC000757145305 582527537 /nfs/dbraw/zinc/52/75/37/582527537.db2.gz LDWAIXLNDFMRIP-UHFFFAOYSA-N 1 0 225.763 3.708 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CC(CC)(CC)CO2 ZINC000757145324 582527358 /nfs/dbraw/zinc/52/73/58/582527358.db2.gz IIHZBKDRLCRUHB-UHFFFAOYSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)C[NH2+]C2(C[C@H](C)C[C@@H](C)C2)OC1 ZINC000757145363 582527607 /nfs/dbraw/zinc/52/76/07/582527607.db2.gz IJFYQRAEXODHCY-CHWSQXEVSA-N 1 0 239.403 3.565 10 0 BHAERO CCC1(CC)C[NH2+][C@@]2(C[C@H](C)C[C@H](C)C2)OC1 ZINC000757145371 582527380 /nfs/dbraw/zinc/52/73/80/582527380.db2.gz IJFYQRAEXODHCY-NHAGDIPZSA-N 1 0 239.403 3.565 10 0 BHAERO CCC1(CC)C[NH2+]C2(C[C@@H](C)C[C@H](C)C2)OC1 ZINC000757145375 582527284 /nfs/dbraw/zinc/52/72/84/582527284.db2.gz IJFYQRAEXODHCY-STQMWFEESA-N 1 0 239.403 3.565 10 0 BHAERO CC1(C)CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757145377 582527539 /nfs/dbraw/zinc/52/75/39/582527539.db2.gz OSSHRVPLDQDIJF-UHFFFAOYSA-N 1 0 239.403 3.708 10 0 BHAERO Cc1cc(O)c(C(C)C)cc1[C@@H]([NH3+])CC(C)C ZINC000757145542 582528747 /nfs/dbraw/zinc/52/87/47/582528747.db2.gz OOMBLHQSVJMGHU-AWEZNQCLSA-N 1 0 235.371 3.870 10 0 BHAERO Cc1cc(O)c(C(C)C)cc1[C@H]([NH3+])CC(C)C ZINC000757145545 582528351 /nfs/dbraw/zinc/52/83/51/582528351.db2.gz OOMBLHQSVJMGHU-CQSZACIVSA-N 1 0 235.371 3.870 10 0 BHAERO CCC[C@@H]([NH3+])c1cc(C(C)(C)C)c(O)cc1C ZINC000757145555 582528649 /nfs/dbraw/zinc/52/86/49/582528649.db2.gz PEQOMANERWHFPC-CYBMUJFWSA-N 1 0 235.371 3.798 10 0 BHAERO CCC[C@H]([NH3+])c1cc(C(C)(C)C)c(O)cc1C ZINC000757145562 582528343 /nfs/dbraw/zinc/52/83/43/582528343.db2.gz PEQOMANERWHFPC-ZDUSSCGKSA-N 1 0 235.371 3.798 10 0 BHAERO CC(C)C[C@@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757145872 582528367 /nfs/dbraw/zinc/52/83/67/582528367.db2.gz QFWIUFTUOQWYPB-CYBMUJFWSA-N 1 0 235.371 3.736 10 0 BHAERO CC(C)C[C@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757145876 582528430 /nfs/dbraw/zinc/52/84/30/582528430.db2.gz QFWIUFTUOQWYPB-ZDUSSCGKSA-N 1 0 235.371 3.736 10 0 BHAERO CCCC1(CCC)[NH2+]CCC(CC)(CC)O1 ZINC000757146035 586425895 /nfs/dbraw/zinc/42/58/95/586425895.db2.gz PWUSCYSNMUFRIN-UHFFFAOYSA-N 1 0 227.392 3.852 10 0 BHAERO CCC1CCC2(CC1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757146125 582529268 /nfs/dbraw/zinc/52/92/68/582529268.db2.gz JMYJABJUDOBYLY-JVWICGRDSA-N 1 0 249.354 3.627 10 0 BHAERO CCC1CCC2(CC1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757146140 582529424 /nfs/dbraw/zinc/52/94/24/582529424.db2.gz JMYJABJUDOBYLY-OWYJLGKBSA-N 1 0 249.354 3.627 10 0 BHAERO CC1(C)C[NH2+]C2(CCCCCCC2)OC1(C)C ZINC000757146185 582529672 /nfs/dbraw/zinc/52/96/72/582529672.db2.gz JNTCJEDSHRKSFS-UHFFFAOYSA-N 1 0 239.403 3.852 10 0 BHAERO Cc1cc(O)c(C(C)C)cc1[C@H]([NH3+])C(C)(C)C ZINC000757146312 582529593 /nfs/dbraw/zinc/52/95/93/582529593.db2.gz SFOITKAGVSSTEB-AWEZNQCLSA-N 1 0 235.371 3.870 10 0 BHAERO Cc1cc(O)c(C(C)C)cc1[C@@H]([NH3+])C(C)(C)C ZINC000757146316 582529862 /nfs/dbraw/zinc/52/98/62/582529862.db2.gz SFOITKAGVSSTEB-CQSZACIVSA-N 1 0 235.371 3.870 10 0 BHAERO CC(C)C1CCC2(CC1)[NH2+][C@H](C)CC(C)(C)O2 ZINC000757146706 582530208 /nfs/dbraw/zinc/53/02/08/582530208.db2.gz KYVXANMHXUAOAL-DNOWBOINSA-N 1 0 239.403 3.706 10 0 BHAERO CC(C)C1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757146707 582530210 /nfs/dbraw/zinc/53/02/10/582530210.db2.gz KYVXANMHXUAOAL-OPFPJEHXSA-N 1 0 239.403 3.706 10 0 BHAERO CC[C@]1(C)CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757146711 582530394 /nfs/dbraw/zinc/53/03/94/582530394.db2.gz LCBBALLWSVRLBL-CABCVRRESA-N 1 0 239.403 3.852 10 0 BHAERO CC[C@@]1(C)CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757146712 582530578 /nfs/dbraw/zinc/53/05/78/582530578.db2.gz LCBBALLWSVRLBL-GJZGRUSLSA-N 1 0 239.403 3.852 10 0 BHAERO CC[C@]1(C)CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757146713 582530565 /nfs/dbraw/zinc/53/05/65/582530565.db2.gz LCBBALLWSVRLBL-HUUCEWRRSA-N 1 0 239.403 3.852 10 0 BHAERO CC[C@@]1(C)CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757146716 582530361 /nfs/dbraw/zinc/53/03/61/582530361.db2.gz LCBBALLWSVRLBL-LSDHHAIUSA-N 1 0 239.403 3.852 10 0 BHAERO CCCC1(CCC)[NH2+]CC(C)(C)[C@@H](C(C)C)O1 ZINC000757146782 582530294 /nfs/dbraw/zinc/53/02/94/582530294.db2.gz RLASKKHRNMXYLY-CYBMUJFWSA-N 1 0 241.419 3.954 10 0 BHAERO CCCC1(CCC)[NH2+]CC(C)(C)[C@H](C(C)C)O1 ZINC000757146792 582530589 /nfs/dbraw/zinc/53/05/89/582530589.db2.gz RLASKKHRNMXYLY-ZDUSSCGKSA-N 1 0 241.419 3.954 10 0 BHAERO CCC[C@@H]1CCOC2(CCC(C(C)C)CC2)[NH2+]1 ZINC000757146872 582530571 /nfs/dbraw/zinc/53/05/71/582530571.db2.gz RNCSXRHENMXHDU-SHARSMKWSA-N 1 0 239.403 3.708 10 0 BHAERO CCC[C@H]1CCOC2(CCC(C(C)C)CC2)[NH2+]1 ZINC000757146882 582530620 /nfs/dbraw/zinc/53/06/20/582530620.db2.gz RNCSXRHENMXHDU-SLTAFYQDSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1(CC)C[NH2+]C2(CCCCCCC2)OC1 ZINC000757147077 582530177 /nfs/dbraw/zinc/53/01/77/582530177.db2.gz LDJYOBBSWMGOJN-UHFFFAOYSA-N 1 0 239.403 3.853 10 0 BHAERO CC(C)(C)c1cc([C@@H]([NH3+])C(C)(C)C)ccc1O ZINC000757147273 582531659 /nfs/dbraw/zinc/53/16/59/582531659.db2.gz XFXSOYXEDSIVTG-CYBMUJFWSA-N 1 0 235.371 3.736 10 0 BHAERO CC(C)(C)c1cc([C@H]([NH3+])C(C)(C)C)ccc1O ZINC000757147280 643327105 /nfs/dbraw/zinc/32/71/05/643327105.db2.gz XFXSOYXEDSIVTG-ZDUSSCGKSA-N 1 0 235.371 3.736 10 0 BHAERO Cc1cc(CC[NH2+]C(C)(C)C)ccc1Cl ZINC000757147285 643327510 /nfs/dbraw/zinc/32/75/10/643327510.db2.gz TULVYHWZXVUVIV-UHFFFAOYSA-N 1 0 225.763 3.579 10 0 BHAERO CC[C@H](Cc1ccc(Cl)c(C)c1)[C@H](C)[NH3+] ZINC000757147356 586428832 /nfs/dbraw/zinc/42/88/32/586428832.db2.gz BKQLPEFOCFDXHI-CMPLNLGQSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@H](Cc1ccc(Cl)c(C)c1)[C@H](C)[NH3+] ZINC000757147359 643327193 /nfs/dbraw/zinc/32/71/93/643327193.db2.gz BKQLPEFOCFDXHI-JQWIXIFHSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@H](Cc1ccc(Cl)c(C)c1)[C@@H](C)[NH3+] ZINC000757147361 643327217 /nfs/dbraw/zinc/32/72/17/643327217.db2.gz BKQLPEFOCFDXHI-PWSUYJOCSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@H](Cc1ccc(Cl)c(C)c1)[C@@H](C)[NH3+] ZINC000757147364 643326909 /nfs/dbraw/zinc/32/69/09/643326909.db2.gz BKQLPEFOCFDXHI-ZYHUDNBSSA-N 1 0 225.763 3.564 10 0 BHAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CC[C@@H](C)O2 ZINC000757147432 586428821 /nfs/dbraw/zinc/42/88/21/586428821.db2.gz SAXWYLMZBUGLHP-DNOWBOINSA-N 1 0 239.403 3.708 10 0 BHAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CC[C@H](C)O2 ZINC000757147463 582531396 /nfs/dbraw/zinc/53/13/96/582531396.db2.gz SAXWYLMZBUGLHP-OPFPJEHXSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757147670 582531206 /nfs/dbraw/zinc/53/12/06/582531206.db2.gz LYAMWTHIGJLHGU-UHFFFAOYSA-N 1 0 239.403 3.708 10 0 BHAERO CCC[C@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757147688 582531421 /nfs/dbraw/zinc/53/14/21/582531421.db2.gz YRGINRWPINZADU-HNNXBMFYSA-N 1 0 241.334 3.859 10 0 BHAERO CCC[C@@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757147699 582531344 /nfs/dbraw/zinc/53/13/44/582531344.db2.gz YRGINRWPINZADU-OAHLLOKOSA-N 1 0 241.334 3.859 10 0 BHAERO CCC[C@@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757147743 582531498 /nfs/dbraw/zinc/53/14/98/582531498.db2.gz SRMOJEIWQCVWJP-CYBMUJFWSA-N 1 0 225.376 3.606 10 0 BHAERO CCC[C@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757147757 582531367 /nfs/dbraw/zinc/53/13/67/582531367.db2.gz SRMOJEIWQCVWJP-ZDUSSCGKSA-N 1 0 225.376 3.606 10 0 BHAERO CCC1(CC)CC[NH2+][C@]2(CCC[C@H](C)CC2)O1 ZINC000757147827 582531559 /nfs/dbraw/zinc/53/15/59/582531559.db2.gz SXMUWVWCXHZGCD-DZGCQCFKSA-N 1 0 239.403 3.852 10 0 BHAERO CCC1(CC)CC[NH2+][C@@]2(CCC[C@@H](C)CC2)O1 ZINC000757147828 582531511 /nfs/dbraw/zinc/53/15/11/582531511.db2.gz SXMUWVWCXHZGCD-HIFRSBDPSA-N 1 0 239.403 3.852 10 0 BHAERO CCCC1(CCC)[NH2+]CC(CC)(CC)CO1 ZINC000757147831 582531485 /nfs/dbraw/zinc/53/14/85/582531485.db2.gz MINOBAFVQVEJRK-UHFFFAOYSA-N 1 0 227.392 3.709 10 0 BHAERO CCC1(CC)CC[NH2+][C@]2(CCC[C@@H](C)CC2)O1 ZINC000757147845 582532185 /nfs/dbraw/zinc/53/21/85/582532185.db2.gz SXMUWVWCXHZGCD-UKRRQHHQSA-N 1 0 239.403 3.852 10 0 BHAERO CCC1(CC)CC[NH2+][C@@]2(CCC[C@H](C)CC2)O1 ZINC000757147861 582531789 /nfs/dbraw/zinc/53/17/89/582531789.db2.gz SXMUWVWCXHZGCD-ZFWWWQNUSA-N 1 0 239.403 3.852 10 0 BHAERO CC[C@@H]1CC[NH2+]C2(CCC(C(C)(C)C)CC2)O1 ZINC000757148203 582532413 /nfs/dbraw/zinc/53/24/13/582532413.db2.gz UDFLSACINHKLKE-JVWICGRDSA-N 1 0 239.403 3.708 10 0 BHAERO CC[C@H]1CC[NH2+]C2(CCC(C(C)(C)C)CC2)O1 ZINC000757148226 582532133 /nfs/dbraw/zinc/53/21/33/582532133.db2.gz UDFLSACINHKLKE-OWYJLGKBSA-N 1 0 239.403 3.708 10 0 BHAERO CC(C)C1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757148858 582532982 /nfs/dbraw/zinc/53/29/82/582532982.db2.gz OKKAMOYTFGZBGR-DNOWBOINSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)C1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757148870 582532669 /nfs/dbraw/zinc/53/26/69/582532669.db2.gz OKKAMOYTFGZBGR-OPFPJEHXSA-N 1 0 239.403 3.563 10 0 BHAERO C[C@@H]1C[C@H](C)OC2(CC(C)(C)CC(C)(C)C2)[NH2+]1 ZINC000757148912 582533203 /nfs/dbraw/zinc/53/32/03/582533203.db2.gz OFMSMBHERUKLDX-NEPJUHHUSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@@H]1C[C@H](C)[NH2+]C2(CC(C)(C)CC(C)(C)C2)O1 ZINC000757148916 582533270 /nfs/dbraw/zinc/53/32/70/582533270.db2.gz OFMSMBHERUKLDX-NWDGAFQWSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@H]1C[C@H](C)OC2(CC(C)(C)CC(C)(C)C2)[NH2+]1 ZINC000757148957 582533466 /nfs/dbraw/zinc/53/34/66/582533466.db2.gz OFMSMBHERUKLDX-RYUDHWBXSA-N 1 0 239.403 3.706 10 0 BHAERO C[C@@H]1C[C@@H](C)OC2(CC(C)(C)CC(C)(C)C2)[NH2+]1 ZINC000757148962 582533435 /nfs/dbraw/zinc/53/34/35/582533435.db2.gz OFMSMBHERUKLDX-VXGBXAGGSA-N 1 0 239.403 3.706 10 0 BHAERO CCC[C@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757149041 643333322 /nfs/dbraw/zinc/33/33/22/643333322.db2.gz OMPRFXKJBQEYRI-ZDUSSCGKSA-N 1 0 225.376 3.606 10 0 BHAERO CC1(C)CC[C@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757149588 643334906 /nfs/dbraw/zinc/33/49/06/643334906.db2.gz OPQCVDVZXSDYJJ-HNNXBMFYSA-N 1 0 237.387 3.606 10 0 BHAERO CC1(C)CC[C@@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757149675 643335805 /nfs/dbraw/zinc/33/58/05/643335805.db2.gz OPQCVDVZXSDYJJ-OAHLLOKOSA-N 1 0 237.387 3.606 10 0 BHAERO CCC1(CC)CC[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757150348 582534776 /nfs/dbraw/zinc/53/47/76/582534776.db2.gz XTULTNZPGVHCQN-UHFFFAOYSA-N 1 0 239.403 3.852 10 0 BHAERO CCC1(CC)CC[NH2+]C2(CCCCCCC2)O1 ZINC000757150417 582534099 /nfs/dbraw/zinc/53/40/99/582534099.db2.gz XZINICKCFNGFER-UHFFFAOYSA-N 1 0 239.403 3.996 10 0 BHAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150488 582534655 /nfs/dbraw/zinc/53/46/55/582534655.db2.gz RLABRDRRLOWRFH-DZGCQCFKSA-N 1 0 237.387 3.606 10 0 BHAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150501 582534731 /nfs/dbraw/zinc/53/47/31/582534731.db2.gz RLABRDRRLOWRFH-HIFRSBDPSA-N 1 0 237.387 3.606 10 0 BHAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150517 582534684 /nfs/dbraw/zinc/53/46/84/582534684.db2.gz RLABRDRRLOWRFH-UKRRQHHQSA-N 1 0 237.387 3.606 10 0 BHAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150530 582534766 /nfs/dbraw/zinc/53/47/66/582534766.db2.gz RLABRDRRLOWRFH-ZFWWWQNUSA-N 1 0 237.387 3.606 10 0 BHAERO CCC1(CC)C[NH2+]C2(CCC(C)(C)CC2)OC1 ZINC000757150563 582534842 /nfs/dbraw/zinc/53/48/42/582534842.db2.gz RMXSSQRVDLWYFB-UHFFFAOYSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)OC2(CC(C)(C)C2)[NH2+]CC1(C)C ZINC000757151177 582535800 /nfs/dbraw/zinc/53/58/00/582535800.db2.gz ZCHBNYNBSGVHCX-UHFFFAOYSA-N 1 0 239.403 3.708 10 0 BHAERO CCCC1(CCC)[NH2+]CC2(CC2)C2(CCC2)O1 ZINC000757151184 582535700 /nfs/dbraw/zinc/53/57/00/582535700.db2.gz ZCNSVKMSFNQWDH-UHFFFAOYSA-N 1 0 237.387 3.606 10 0 BHAERO CCC[C@@H]1CC[NH2+]C2(CCC(C(C)C)CC2)O1 ZINC000757151218 582535553 /nfs/dbraw/zinc/53/55/53/582535553.db2.gz QBNBZINVIDKTPU-SHARSMKWSA-N 1 0 239.403 3.708 10 0 BHAERO CCC[C@H]1CC[NH2+]C2(CCC(C(C)C)CC2)O1 ZINC000757151228 582535261 /nfs/dbraw/zinc/53/52/61/582535261.db2.gz QBNBZINVIDKTPU-SLTAFYQDSA-N 1 0 239.403 3.708 10 0 BHAERO CC[C@]1(C)CCOC2(CCC(C(C)C)CC2)[NH2+]1 ZINC000757151233 582535737 /nfs/dbraw/zinc/53/57/37/582535737.db2.gz QCCWAQUBWOINEC-SHARSMKWSA-N 1 0 239.403 3.708 10 0 BHAERO CC[C@@]1(C)CCOC2(CCC(C(C)C)CC2)[NH2+]1 ZINC000757151245 582535479 /nfs/dbraw/zinc/53/54/79/582535479.db2.gz QCCWAQUBWOINEC-SLTAFYQDSA-N 1 0 239.403 3.708 10 0 BHAERO CCCC1(CCC)[NH2+]CC2(CC2)[C@@H](C(C)C)O1 ZINC000757151503 586428840 /nfs/dbraw/zinc/42/88/40/586428840.db2.gz ZNVKVLDXJSQPBW-CYBMUJFWSA-N 1 0 239.403 3.708 10 0 BHAERO CCCC1(CCC)[NH2+]CC2(CC2)[C@H](C(C)C)O1 ZINC000757151506 586429080 /nfs/dbraw/zinc/42/90/80/586429080.db2.gz ZNVKVLDXJSQPBW-ZDUSSCGKSA-N 1 0 239.403 3.708 10 0 BHAERO CCC1([NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC000757151524 586428880 /nfs/dbraw/zinc/42/88/80/586428880.db2.gz HOZRYEOZDQKFII-UHFFFAOYSA-N 1 0 223.747 3.681 10 0 BHAERO CC[C@]1(C)CCOC2(CCCCCCC2)[NH2+]1 ZINC000757151540 586428975 /nfs/dbraw/zinc/42/89/75/586428975.db2.gz QTCIMFJJDKNPJL-CYBMUJFWSA-N 1 0 225.376 3.606 10 0 BHAERO CC[C@@]1(C)CCOC2(CCCCCCC2)[NH2+]1 ZINC000757151543 582536268 /nfs/dbraw/zinc/53/62/68/582536268.db2.gz QTCIMFJJDKNPJL-ZDUSSCGKSA-N 1 0 225.376 3.606 10 0 BHAERO CCCC1(CCC)[NH2+][C@@H](c2ccco2)CCO1 ZINC000757151606 582535349 /nfs/dbraw/zinc/53/53/49/582535349.db2.gz QXHDZUFGFVJUCN-GFCCVEGCSA-N 1 0 237.343 3.627 10 0 BHAERO CCCC1(CCC)[NH2+][C@H](c2ccco2)CCO1 ZINC000757151609 582535826 /nfs/dbraw/zinc/53/58/26/582535826.db2.gz QXHDZUFGFVJUCN-LBPRGKRZSA-N 1 0 237.343 3.627 10 0 BHAERO CCC1CCC2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757151737 643343616 /nfs/dbraw/zinc/34/36/16/643343616.db2.gz RIRXKAIAAYLRSZ-JVWICGRDSA-N 1 0 239.403 3.565 10 0 BHAERO CCC1CCC2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757151739 643343874 /nfs/dbraw/zinc/34/38/74/643343874.db2.gz RIRXKAIAAYLRSZ-OWYJLGKBSA-N 1 0 239.403 3.565 10 0 BHAERO CC[C@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757152347 586429564 /nfs/dbraw/zinc/42/95/64/586429564.db2.gz KHQNEFCYAMBTLD-JTQLQIEISA-N 1 0 225.763 3.784 10 0 BHAERO CC[C@@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757152348 586429584 /nfs/dbraw/zinc/42/95/84/586429584.db2.gz KHQNEFCYAMBTLD-SNVBAGLBSA-N 1 0 225.763 3.784 10 0 BHAERO Cc1cc(C[NH2+][C@@H]2CC2(C)C)ccc1Cl ZINC000757152364 586429653 /nfs/dbraw/zinc/42/96/53/586429653.db2.gz KMVUHONHTQTZTQ-GFCCVEGCSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+][C@H]2CC2(C)C)ccc1Cl ZINC000757152365 586429444 /nfs/dbraw/zinc/42/94/44/586429444.db2.gz KMVUHONHTQTZTQ-LBPRGKRZSA-N 1 0 223.747 3.537 10 0 BHAERO CC(C)[C@H]1[NH2+]C2(CCC(C)CC2)OCC1(C)C ZINC000757152582 582537451 /nfs/dbraw/zinc/53/74/51/582537451.db2.gz SWSIKHURYADFRD-JVWICGRDSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1[NH2+]C2(CCC(C)CC2)OCC1(C)C ZINC000757152591 582537153 /nfs/dbraw/zinc/53/71/53/582537153.db2.gz SWSIKHURYADFRD-OWYJLGKBSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@H]1O[C@]2(CCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757152820 582537183 /nfs/dbraw/zinc/53/71/83/582537183.db2.gz UDSOTTSIGUWQKJ-DOMZBBRYSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@H]1O[C@@]2(CCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757152824 586429549 /nfs/dbraw/zinc/42/95/49/586429549.db2.gz UDSOTTSIGUWQKJ-IUODEOHRSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1O[C@@]2(CCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757152826 586429470 /nfs/dbraw/zinc/42/94/70/586429470.db2.gz UDSOTTSIGUWQKJ-SWLSCSKDSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1O[C@]2(CCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757152827 586429403 /nfs/dbraw/zinc/42/94/03/586429403.db2.gz UDSOTTSIGUWQKJ-WFASDCNBSA-N 1 0 239.403 3.563 10 0 BHAERO CCCC1(CCC)[NH2+]CC(C)(C)C(C)(C)O1 ZINC000757153050 582536950 /nfs/dbraw/zinc/53/69/50/582536950.db2.gz WAZYAWCESRMYAR-UHFFFAOYSA-N 1 0 227.392 3.708 10 0 BHAERO CCCC1(CCC)[NH2+]CC2(CCCCC2)CO1 ZINC000757153117 586429449 /nfs/dbraw/zinc/42/94/49/586429449.db2.gz WMPLFFASIZMJHL-UHFFFAOYSA-N 1 0 239.403 3.853 10 0 BHAERO Fc1ccccc1[C@@H]1CCOC2(CCCCC2)[NH2+]1 ZINC000757153561 582539164 /nfs/dbraw/zinc/53/91/64/582539164.db2.gz XOZFGGHGKHVIPK-AWEZNQCLSA-N 1 0 249.329 3.537 10 0 BHAERO CCC[C@@H]([NH3+])CCc1ccc(Cl)c(C)c1 ZINC000757153645 582538669 /nfs/dbraw/zinc/53/86/69/582538669.db2.gz PHFFXNVEMXIFAL-GFCCVEGCSA-N 1 0 225.763 3.708 10 0 BHAERO CCC[C@H]([NH3+])CCc1ccc(Cl)c(C)c1 ZINC000757153651 582538619 /nfs/dbraw/zinc/53/86/19/582538619.db2.gz PHFFXNVEMXIFAL-LBPRGKRZSA-N 1 0 225.763 3.708 10 0 BHAERO CC[NH2+][C@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757153699 582538094 /nfs/dbraw/zinc/53/80/94/582538094.db2.gz QEXMJKBJEFNMDQ-LLVKDONJSA-N 1 0 225.763 3.579 10 0 BHAERO CC[NH2+][C@@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757153700 582538073 /nfs/dbraw/zinc/53/80/73/582538073.db2.gz QEXMJKBJEFNMDQ-NSHDSACASA-N 1 0 225.763 3.579 10 0 BHAERO Cc1cc(C[NH2+][C@@]2(C)C[C@@H]2C)ccc1Cl ZINC000757153732 582538133 /nfs/dbraw/zinc/53/81/33/582538133.db2.gz RBUVNQRYSFZNAQ-GWCFXTLKSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+][C@]2(C)C[C@@H]2C)ccc1Cl ZINC000757153733 582538623 /nfs/dbraw/zinc/53/86/23/582538623.db2.gz RBUVNQRYSFZNAQ-GXFFZTMASA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+][C@@]2(C)C[C@H]2C)ccc1Cl ZINC000757153734 582538092 /nfs/dbraw/zinc/53/80/92/582538092.db2.gz RBUVNQRYSFZNAQ-MFKMUULPSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+][C@]2(C)C[C@H]2C)ccc1Cl ZINC000757153735 582538103 /nfs/dbraw/zinc/53/81/03/582538103.db2.gz RBUVNQRYSFZNAQ-ZWNOBZJWSA-N 1 0 223.747 3.537 10 0 BHAERO Cc1cc(C[NH2+]CC(C)(C)C)ccc1Cl ZINC000757153780 586429581 /nfs/dbraw/zinc/42/95/81/586429581.db2.gz SCMJQQSFOCGZKV-UHFFFAOYSA-N 1 0 225.763 3.784 10 0 BHAERO CCC1(CC)C[NH2+][C@]2(CCC[C@H](C)CC2)OC1 ZINC000757153825 582539283 /nfs/dbraw/zinc/53/92/83/582539283.db2.gz ZFTWOTFQFUZLAH-DZGCQCFKSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)C[NH2+][C@@]2(CCC[C@@H](C)CC2)OC1 ZINC000757153828 582538953 /nfs/dbraw/zinc/53/89/53/582538953.db2.gz ZFTWOTFQFUZLAH-HIFRSBDPSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)C[NH2+][C@]2(CCC[C@@H](C)CC2)OC1 ZINC000757153832 582538837 /nfs/dbraw/zinc/53/88/37/582538837.db2.gz ZFTWOTFQFUZLAH-UKRRQHHQSA-N 1 0 239.403 3.709 10 0 BHAERO CCC1(CC)C[NH2+][C@@]2(CCC[C@H](C)CC2)OC1 ZINC000757153834 582539285 /nfs/dbraw/zinc/53/92/85/582539285.db2.gz ZFTWOTFQFUZLAH-ZFWWWQNUSA-N 1 0 239.403 3.709 10 0 BHAERO C[C@H]1O[C@]2(CCCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757153889 582538093 /nfs/dbraw/zinc/53/80/93/582538093.db2.gz ZWDHINFSDTXFNJ-DOMZBBRYSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@H]1O[C@@]2(CCCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757153891 582537932 /nfs/dbraw/zinc/53/79/32/582537932.db2.gz ZWDHINFSDTXFNJ-IUODEOHRSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@@H]1O[C@@]2(CCCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757153894 582538326 /nfs/dbraw/zinc/53/83/26/582538326.db2.gz ZWDHINFSDTXFNJ-SWLSCSKDSA-N 1 0 239.403 3.708 10 0 BHAERO C[C@@H]1O[C@]2(CCCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757153897 582538126 /nfs/dbraw/zinc/53/81/26/582538126.db2.gz ZWDHINFSDTXFNJ-WFASDCNBSA-N 1 0 239.403 3.708 10 0 BHAERO CC1CCC2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757153944 582539254 /nfs/dbraw/zinc/53/92/54/582539254.db2.gz YRDHDYQJEWGGHV-UHFFFAOYSA-N 1 0 237.387 3.606 10 0 BHAERO CCCC1(CCC)[NH2+][C@H](C(C)C)C(C)(C)CO1 ZINC000757154167 586429843 /nfs/dbraw/zinc/42/98/43/586429843.db2.gz ZFGGUOGSRMJDHN-CYBMUJFWSA-N 1 0 241.419 3.954 10 0 BHAERO CCCC1(CCC)[NH2+][C@@H](C(C)C)C(C)(C)CO1 ZINC000757154172 643347166 /nfs/dbraw/zinc/34/71/66/643347166.db2.gz ZFGGUOGSRMJDHN-ZDUSSCGKSA-N 1 0 241.419 3.954 10 0 BHAERO CC(C)[C@H]1[NH2+][C@@]2(CCC(C)(C)C2)OCC1(C)C ZINC000757154191 643346838 /nfs/dbraw/zinc/34/68/38/643346838.db2.gz ZJORBQRNQZIXBR-DOMZBBRYSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@H]1[NH2+][C@]2(CCC(C)(C)C2)OCC1(C)C ZINC000757154192 643346376 /nfs/dbraw/zinc/34/63/76/643346376.db2.gz ZJORBQRNQZIXBR-IUODEOHRSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1[NH2+][C@]2(CCC(C)(C)C2)OCC1(C)C ZINC000757154195 643346815 /nfs/dbraw/zinc/34/68/15/643346815.db2.gz ZJORBQRNQZIXBR-SWLSCSKDSA-N 1 0 239.403 3.563 10 0 BHAERO CC(C)[C@@H]1[NH2+][C@@]2(CCC(C)(C)C2)OCC1(C)C ZINC000757154197 586429932 /nfs/dbraw/zinc/42/99/32/586429932.db2.gz ZJORBQRNQZIXBR-WFASDCNBSA-N 1 0 239.403 3.563 10 0 BHAERO C[C@H]1CCC[C@@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757154205 586430204 /nfs/dbraw/zinc/43/02/04/586430204.db2.gz ZLPHRJKIGXYWHR-DZGCQCFKSA-N 1 0 237.387 3.606 10 0 BHAERO C[C@@H]1CCC[C@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757154206 586430206 /nfs/dbraw/zinc/43/02/06/586430206.db2.gz ZLPHRJKIGXYWHR-HIFRSBDPSA-N 1 0 237.387 3.606 10 0 BHAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757154209 586429968 /nfs/dbraw/zinc/42/99/68/586429968.db2.gz ZLPHRJKIGXYWHR-UKRRQHHQSA-N 1 0 237.387 3.606 10 0 BHAERO C[C@H]1CCC[C@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757154211 643346487 /nfs/dbraw/zinc/34/64/87/643346487.db2.gz ZLPHRJKIGXYWHR-ZFWWWQNUSA-N 1 0 237.387 3.606 10 0 BHAERO CCCC1(CCC)[NH2+]C2(CCCCC2)CCO1 ZINC000757154227 586430226 /nfs/dbraw/zinc/43/02/26/586430226.db2.gz ZPAHOXDPDBSNIC-UHFFFAOYSA-N 1 0 239.403 3.996 10 0 BHAERO C[C@@H]1CC(C)(C)O[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757154231 643346050 /nfs/dbraw/zinc/34/60/50/643346050.db2.gz ZQDUOIBOZDJPKA-DOMZBBRYSA-N 1 0 239.403 3.850 10 0 BHAERO C[C@@H]1CC(C)(C)O[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757154234 586430089 /nfs/dbraw/zinc/43/00/89/586430089.db2.gz ZQDUOIBOZDJPKA-IUODEOHRSA-N 1 0 239.403 3.850 10 0 BHAERO C[C@H]1CC(C)(C)O[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757154242 586429873 /nfs/dbraw/zinc/42/98/73/586429873.db2.gz ZQDUOIBOZDJPKA-SWLSCSKDSA-N 1 0 239.403 3.850 10 0 BHAERO C[C@H]1CC(C)(C)O[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757154243 586430235 /nfs/dbraw/zinc/43/02/35/586430235.db2.gz ZQDUOIBOZDJPKA-WFASDCNBSA-N 1 0 239.403 3.850 10 0 BHAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCCC(C)(C)C2)OC1 ZINC000757154283 586430078 /nfs/dbraw/zinc/43/00/78/586430078.db2.gz ZSVMDVJQRQQEBF-DOMZBBRYSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCCC(C)(C)C2)OC1 ZINC000757154287 586429888 /nfs/dbraw/zinc/42/98/88/586429888.db2.gz ZSVMDVJQRQQEBF-IUODEOHRSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCCC(C)(C)C2)OC1 ZINC000757154288 586430155 /nfs/dbraw/zinc/43/01/55/586430155.db2.gz ZSVMDVJQRQQEBF-SWLSCSKDSA-N 1 0 239.403 3.565 10 0 BHAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCCC(C)(C)C2)OC1 ZINC000757154296 582539203 /nfs/dbraw/zinc/53/92/03/582539203.db2.gz ZSVMDVJQRQQEBF-WFASDCNBSA-N 1 0 239.403 3.565 10 0 BHAERO c1coc([C@H]2CCOC3(CCCCCCC3)[NH2+]2)c1 ZINC000757154299 586430265 /nfs/dbraw/zinc/43/02/65/586430265.db2.gz ZTSPLTXLWCYALZ-CYBMUJFWSA-N 1 0 249.354 3.771 10 0 BHAERO c1coc([C@@H]2CCOC3(CCCCCCC3)[NH2+]2)c1 ZINC000757154300 586430246 /nfs/dbraw/zinc/43/02/46/586430246.db2.gz ZTSPLTXLWCYALZ-ZDUSSCGKSA-N 1 0 249.354 3.771 10 0 BHAERO Cc1cc(CSCC(C)(C)[NH3+])ccc1Cl ZINC000757155433 582540110 /nfs/dbraw/zinc/54/01/10/582540110.db2.gz BQQMHUHAWSSTPA-UHFFFAOYSA-N 1 0 243.803 3.619 10 0 BHAERO C/C(=C\c1ccc(Cl)c(C)c1)CCC[NH3+] ZINC000757155455 586429956 /nfs/dbraw/zinc/42/99/56/586429956.db2.gz CEZKSTDSFHCGDK-CSKARUKUSA-N 1 0 223.747 3.791 10 0 BHAERO CCC[C@@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155898 582540062 /nfs/dbraw/zinc/54/00/62/582540062.db2.gz DRJIBLIFUJUQAH-GFCCVEGCSA-N 1 0 225.763 3.566 10 0 BHAERO CCC[C@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155899 582539995 /nfs/dbraw/zinc/53/99/95/582539995.db2.gz DRJIBLIFUJUQAH-LBPRGKRZSA-N 1 0 225.763 3.566 10 0 BHAERO Cc1cc(CS[C@@H](C)CC[NH3+])ccc1Cl ZINC000757155900 582539639 /nfs/dbraw/zinc/53/96/39/582539639.db2.gz DRXFZALKEBBPCK-JTQLQIEISA-N 1 0 243.803 3.619 10 0 BHAERO Cc1cc(CS[C@H](C)CC[NH3+])ccc1Cl ZINC000757155901 582539683 /nfs/dbraw/zinc/53/96/83/582539683.db2.gz DRXFZALKEBBPCK-SNVBAGLBSA-N 1 0 243.803 3.619 10 0 BHAERO C[NH2+][C@H](C)CCCc1ccc(Cl)c(C)c1 ZINC000757155952 582539964 /nfs/dbraw/zinc/53/99/64/582539964.db2.gz GEZFTLDNPMHYTA-LLVKDONJSA-N 1 0 225.763 3.579 10 0 BHAERO C[NH2+][C@@H](C)CCCc1ccc(Cl)c(C)c1 ZINC000757155954 582539516 /nfs/dbraw/zinc/53/95/16/582539516.db2.gz GEZFTLDNPMHYTA-NSHDSACASA-N 1 0 225.763 3.579 10 0 BHAERO CC[NH2+]CCCCc1ccc(Cl)c(C)c1 ZINC000757156000 586430132 /nfs/dbraw/zinc/43/01/32/586430132.db2.gz GQUHSSXMVADFHQ-UHFFFAOYSA-N 1 0 225.763 3.581 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156823 586430337 /nfs/dbraw/zinc/43/03/37/586430337.db2.gz KTQGYLRUIOUQMA-NOZJJQNGSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156824 586430735 /nfs/dbraw/zinc/43/07/35/586430735.db2.gz KTQGYLRUIOUQMA-RNCFNFMXSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156825 586430670 /nfs/dbraw/zinc/43/06/70/586430670.db2.gz KTQGYLRUIOUQMA-TVQRCGJNSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156826 586430659 /nfs/dbraw/zinc/43/06/59/586430659.db2.gz KTQGYLRUIOUQMA-ZANVPECISA-N 1 0 225.763 3.564 10 0 BHAERO Cc1cc(CC(C)(C)CC[NH3+])ccc1Cl ZINC000757157758 582540780 /nfs/dbraw/zinc/54/07/80/582540780.db2.gz MROPLGNCBTZWKI-UHFFFAOYSA-N 1 0 225.763 3.566 10 0 BHAERO Cc1cc(/C=C2/CC[C@H]([NH3+])C2)ccc1Cl ZINC000757157868 582540449 /nfs/dbraw/zinc/54/04/49/582540449.db2.gz NBKYFBMRYAPDQK-RDQDRAATSA-N 1 0 221.731 3.543 10 0 BHAERO Cc1cc(/C=C2/CC[C@@H]([NH3+])C2)ccc1Cl ZINC000757157926 582540763 /nfs/dbraw/zinc/54/07/63/582540763.db2.gz NBKYFBMRYAPDQK-SEVUFMINSA-N 1 0 221.731 3.543 10 0 BHAERO Cc1cc(CSCCCC[NH3+])ccc1Cl ZINC000757158163 582540548 /nfs/dbraw/zinc/54/05/48/582540548.db2.gz NLIQXOPOMJQGSD-UHFFFAOYSA-N 1 0 243.803 3.621 10 0 BHAERO Cc1cc(C[C@@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000757158647 582540760 /nfs/dbraw/zinc/54/07/60/582540760.db2.gz OHFRGZVRKSADBU-GFCCVEGCSA-N 1 0 225.763 3.564 10 0 BHAERO Cc1cc(C[C@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000757158674 582540262 /nfs/dbraw/zinc/54/02/62/582540262.db2.gz OHFRGZVRKSADBU-LBPRGKRZSA-N 1 0 225.763 3.564 10 0 BHAERO CC[C@@](C)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757158870 586430393 /nfs/dbraw/zinc/43/03/93/586430393.db2.gz OLQCYENDIRUCHJ-CYBMUJFWSA-N 1 0 225.763 3.566 10 0 BHAERO CC[C@](C)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757159076 586430370 /nfs/dbraw/zinc/43/03/70/586430370.db2.gz OLQCYENDIRUCHJ-ZDUSSCGKSA-N 1 0 225.763 3.566 10 0 BHAERO CCC[NH2+]CCCc1ccc(Cl)c(C)c1 ZINC000757159507 586430548 /nfs/dbraw/zinc/43/05/48/586430548.db2.gz OXXLUYQPIZUUAC-UHFFFAOYSA-N 1 0 225.763 3.581 10 0 BHAERO Cc1cc(CSCC[C@H](C)[NH3+])ccc1Cl ZINC000757159761 586430712 /nfs/dbraw/zinc/43/07/12/586430712.db2.gz QBHGCTUYLINJKW-JTQLQIEISA-N 1 0 243.803 3.619 10 0 BHAERO Cc1cc(CSCC[C@@H](C)[NH3+])ccc1Cl ZINC000757159776 586430703 /nfs/dbraw/zinc/43/07/03/586430703.db2.gz QBHGCTUYLINJKW-SNVBAGLBSA-N 1 0 243.803 3.619 10 0 BHAERO CC[C@@H]([NH3+])/C(C)=C/c1ccc(Cl)c(C)c1 ZINC000757160468 582543990 /nfs/dbraw/zinc/54/39/90/582543990.db2.gz QUFUUKADFPHYGW-AORWBKJGSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@H]([NH3+])/C(C)=C/c1ccc(Cl)c(C)c1 ZINC000757160475 582544371 /nfs/dbraw/zinc/54/43/71/582544371.db2.gz QUFUUKADFPHYGW-FROQITRMSA-N 1 0 223.747 3.789 10 0 BHAERO CC[C@@H]([NH3+])CSCc1ccc(Cl)c(C)c1 ZINC000757160651 586432321 /nfs/dbraw/zinc/43/23/21/586432321.db2.gz SDZMZYHFCFOVIX-LLVKDONJSA-N 1 0 243.803 3.619 10 0 BHAERO CC[C@H]([NH3+])CSCc1ccc(Cl)c(C)c1 ZINC000757160656 586430962 /nfs/dbraw/zinc/43/09/62/586430962.db2.gz SDZMZYHFCFOVIX-NSHDSACASA-N 1 0 243.803 3.619 10 0 BHAERO CCC[C@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000757160725 586432125 /nfs/dbraw/zinc/43/21/25/586432125.db2.gz SYHYDWJLPYJUGJ-GFCCVEGCSA-N 1 0 225.763 3.579 10 0 BHAERO CCC[C@@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000757160729 586431953 /nfs/dbraw/zinc/43/19/53/586431953.db2.gz SYHYDWJLPYJUGJ-LBPRGKRZSA-N 1 0 225.763 3.579 10 0 BHAERO Cc1cc(CCC[NH2+]C(C)C)ccc1Cl ZINC000757161301 586430985 /nfs/dbraw/zinc/43/09/85/586430985.db2.gz UTBJICIWGHJYSW-UHFFFAOYSA-N 1 0 225.763 3.579 10 0 BHAERO CC[C@@H](C)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757165665 582547106 /nfs/dbraw/zinc/54/71/06/582547106.db2.gz NMKIDHCPWBTQBE-PSASIEDQSA-N 1 0 247.791 3.540 10 0 BHAERO CC[C@@H](C)[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757165682 582547141 /nfs/dbraw/zinc/54/71/41/582547141.db2.gz NMKIDHCPWBTQBE-SCZZXKLOSA-N 1 0 247.791 3.540 10 0 BHAERO CC[C@H](C)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757165688 582546976 /nfs/dbraw/zinc/54/69/76/582546976.db2.gz NMKIDHCPWBTQBE-WCBMZHEXSA-N 1 0 247.791 3.540 10 0 BHAERO CC[C@H](C)[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757165694 582547181 /nfs/dbraw/zinc/54/71/81/582547181.db2.gz NMKIDHCPWBTQBE-WPRPVWTQSA-N 1 0 247.791 3.540 10 0 BHAERO CCC[NH2+]CCCSCc1ccc(Cl)o1 ZINC000757165746 582546916 /nfs/dbraw/zinc/54/69/16/582546916.db2.gz OOYQLCDRTFXWEE-UHFFFAOYSA-N 1 0 247.791 3.556 10 0 BHAERO CC[C@@H](SCc1ccc(Cl)o1)[C@@H](C)[NH2+]C ZINC000757166243 582547534 /nfs/dbraw/zinc/54/75/34/582547534.db2.gz REEZBAKRFIVHTF-PSASIEDQSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@H](SCc1ccc(Cl)o1)[C@@H](C)[NH2+]C ZINC000757166251 582547779 /nfs/dbraw/zinc/54/77/79/582547779.db2.gz REEZBAKRFIVHTF-SCZZXKLOSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@@H](SCc1ccc(Cl)o1)[C@H](C)[NH2+]C ZINC000757166253 582547520 /nfs/dbraw/zinc/54/75/20/582547520.db2.gz REEZBAKRFIVHTF-WCBMZHEXSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@H](SCc1ccc(Cl)o1)[C@H](C)[NH2+]C ZINC000757166254 582547806 /nfs/dbraw/zinc/54/78/06/582547806.db2.gz REEZBAKRFIVHTF-WPRPVWTQSA-N 1 0 247.791 3.553 10 0 BHAERO CC(C)[NH2+]CCCSCc1ccc(Cl)o1 ZINC000757166410 582547501 /nfs/dbraw/zinc/54/75/01/582547501.db2.gz USPSFDDECLWMNO-UHFFFAOYSA-N 1 0 247.791 3.554 10 0 BHAERO CCCC[NH2+]CCSCc1ccc(Cl)o1 ZINC000757168563 582549208 /nfs/dbraw/zinc/54/92/08/582549208.db2.gz CCVUYJDQWVQWPZ-UHFFFAOYSA-N 1 0 247.791 3.556 10 0 BHAERO CC(C)[NH2+]C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757168710 582550010 /nfs/dbraw/zinc/55/00/10/582550010.db2.gz CPSNJLCWOUOSIK-SECBINFHSA-N 1 0 247.791 3.553 10 0 BHAERO CC(C)[NH2+]C[C@H](C)SCc1ccc(Cl)o1 ZINC000757168717 582550193 /nfs/dbraw/zinc/55/01/93/582550193.db2.gz CPSNJLCWOUOSIK-VIFPVBQESA-N 1 0 247.791 3.553 10 0 BHAERO C[NH2+][C@H](C)CCCSCc1ccc(Cl)o1 ZINC000757168903 586432800 /nfs/dbraw/zinc/43/28/00/586432800.db2.gz DDZOLYGDIZFULV-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO C[NH2+][C@@H](C)CCCSCc1ccc(Cl)o1 ZINC000757168907 586432765 /nfs/dbraw/zinc/43/27/65/586432765.db2.gz DDZOLYGDIZFULV-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC(C)(C)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757168933 586432445 /nfs/dbraw/zinc/43/24/45/586432445.db2.gz DJOIJTZKWDTPDP-SECBINFHSA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)(C)[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757168934 582550017 /nfs/dbraw/zinc/55/00/17/582550017.db2.gz DJOIJTZKWDTPDP-VIFPVBQESA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)C[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757169061 582549309 /nfs/dbraw/zinc/54/93/09/582549309.db2.gz FXOIGLZKBYEDMI-SECBINFHSA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)C[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757169062 582549193 /nfs/dbraw/zinc/54/91/93/582549193.db2.gz FXOIGLZKBYEDMI-VIFPVBQESA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)(C[NH3+])CCSCc1ccc(Cl)o1 ZINC000757169210 582550524 /nfs/dbraw/zinc/55/05/24/582550524.db2.gz GRGUODQVMDLSGR-UHFFFAOYSA-N 1 0 247.791 3.541 10 0 BHAERO C[NH2+][C@H](C)C[C@H](C)SCc1ccc(Cl)o1 ZINC000757169229 582550692 /nfs/dbraw/zinc/55/06/92/582550692.db2.gz HFXPWMJVEAXMEM-BDAKNGLRSA-N 1 0 247.791 3.553 10 0 BHAERO C[NH2+][C@@H](C)C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169270 586432587 /nfs/dbraw/zinc/43/25/87/586432587.db2.gz HFXPWMJVEAXMEM-DTWKUNHWSA-N 1 0 247.791 3.553 10 0 BHAERO C[NH2+][C@@H](C)C[C@H](C)SCc1ccc(Cl)o1 ZINC000757169271 586432808 /nfs/dbraw/zinc/43/28/08/586432808.db2.gz HFXPWMJVEAXMEM-IUCAKERBSA-N 1 0 247.791 3.553 10 0 BHAERO C[NH2+][C@H](C)C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169272 586432602 /nfs/dbraw/zinc/43/26/02/586432602.db2.gz HFXPWMJVEAXMEM-RKDXNWHRSA-N 1 0 247.791 3.553 10 0 BHAERO [NH3+]CCCCCCSCc1ccc(Cl)o1 ZINC000757169274 586432443 /nfs/dbraw/zinc/43/24/43/586432443.db2.gz HHSOWDYSXNMUIH-UHFFFAOYSA-N 1 0 247.791 3.685 10 0 BHAERO CC(C)(C)[C@@H](C[NH3+])SCc1ccc(Cl)o1 ZINC000757169432 582550609 /nfs/dbraw/zinc/55/06/09/582550609.db2.gz HXIRPBSGDCQZLF-SECBINFHSA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)(C)[C@H](C[NH3+])SCc1ccc(Cl)o1 ZINC000757169433 582550750 /nfs/dbraw/zinc/55/07/50/582550750.db2.gz HXIRPBSGDCQZLF-VIFPVBQESA-N 1 0 247.791 3.540 10 0 BHAERO CC(C)(C)[NH2+]CCSCc1ccc(Cl)o1 ZINC000757169446 582550936 /nfs/dbraw/zinc/55/09/36/582550936.db2.gz IIJGFDQPYASUQS-UHFFFAOYSA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+]CCCCSCc1ccc(Cl)o1 ZINC000757170195 582549950 /nfs/dbraw/zinc/54/99/50/582549950.db2.gz OOQIDJKJKWXKLH-UHFFFAOYSA-N 1 0 247.791 3.556 10 0 BHAERO CCC[NH2+]C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757170257 582550177 /nfs/dbraw/zinc/55/01/77/582550177.db2.gz PDCORAJCYUOHOW-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CCC[NH2+]C[C@H](C)SCc1ccc(Cl)o1 ZINC000757170267 582550168 /nfs/dbraw/zinc/55/01/68/582550168.db2.gz PDCORAJCYUOHOW-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC[C@@H](C)[NH2+]CCSCc1ccc(Cl)o1 ZINC000757170316 582549959 /nfs/dbraw/zinc/54/99/59/582549959.db2.gz PJINGMROTYNACG-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CC[C@H](C)[NH2+]CCSCc1ccc(Cl)o1 ZINC000757170332 582549928 /nfs/dbraw/zinc/54/99/28/582549928.db2.gz PJINGMROTYNACG-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+][C@H](CC)CSCc1ccc(Cl)o1 ZINC000757170513 586433165 /nfs/dbraw/zinc/43/31/65/586433165.db2.gz PYZPNELSYVTBRA-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+][C@@H](CC)CSCc1ccc(Cl)o1 ZINC000757170516 582550800 /nfs/dbraw/zinc/55/08/00/582550800.db2.gz PYZPNELSYVTBRA-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+][C@H](C)CCSCc1ccc(Cl)o1 ZINC000757170532 582550926 /nfs/dbraw/zinc/55/09/26/582550926.db2.gz QKOXGGGOOTZAMP-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+][C@@H](C)CCSCc1ccc(Cl)o1 ZINC000757170533 582550565 /nfs/dbraw/zinc/55/05/65/582550565.db2.gz QKOXGGGOOTZAMP-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC[NH2+][C@H](C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757170936 586433160 /nfs/dbraw/zinc/43/31/60/586433160.db2.gz RYWUFJWQQLANED-BDAKNGLRSA-N 1 0 247.791 3.553 10 0 BHAERO CC[NH2+][C@@H](C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757170937 586433091 /nfs/dbraw/zinc/43/30/91/586433091.db2.gz RYWUFJWQQLANED-DTWKUNHWSA-N 1 0 247.791 3.553 10 0 BHAERO CC[NH2+][C@@H](C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757170944 582550708 /nfs/dbraw/zinc/55/07/08/582550708.db2.gz RYWUFJWQQLANED-IUCAKERBSA-N 1 0 247.791 3.553 10 0 BHAERO CC[NH2+][C@H](C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757170955 586432984 /nfs/dbraw/zinc/43/29/84/586432984.db2.gz RYWUFJWQQLANED-RKDXNWHRSA-N 1 0 247.791 3.553 10 0 BHAERO C[C@@H]([NH3+])CCCCSCc1ccc(Cl)o1 ZINC000757172011 582551272 /nfs/dbraw/zinc/55/12/72/582551272.db2.gz WSOLCBFEBVCIFC-SECBINFHSA-N 1 0 247.791 3.684 10 0 BHAERO C[C@H]([NH3+])CCCCSCc1ccc(Cl)o1 ZINC000757172012 582551395 /nfs/dbraw/zinc/55/13/95/582551395.db2.gz WSOLCBFEBVCIFC-VIFPVBQESA-N 1 0 247.791 3.684 10 0 BHAERO CC[C@@H]([NH2+]C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757172387 582551341 /nfs/dbraw/zinc/55/13/41/582551341.db2.gz XFECCHYBRCSOJA-PSASIEDQSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@H]([NH2+]C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757172389 582551321 /nfs/dbraw/zinc/55/13/21/582551321.db2.gz XFECCHYBRCSOJA-SCZZXKLOSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@@H]([NH2+]C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757172399 582551154 /nfs/dbraw/zinc/55/11/54/582551154.db2.gz XFECCHYBRCSOJA-WCBMZHEXSA-N 1 0 247.791 3.553 10 0 BHAERO CC[C@H]([NH2+]C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757172402 582551257 /nfs/dbraw/zinc/55/12/57/582551257.db2.gz XFECCHYBRCSOJA-WPRPVWTQSA-N 1 0 247.791 3.553 10 0 BHAERO CCC[NH2+][C@H](C)CSCc1ccc(Cl)o1 ZINC000757172416 582551355 /nfs/dbraw/zinc/55/13/55/582551355.db2.gz XIPAXPKZSSAUMW-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CCC[NH2+][C@@H](C)CSCc1ccc(Cl)o1 ZINC000757172417 582551975 /nfs/dbraw/zinc/55/19/75/582551975.db2.gz XIPAXPKZSSAUMW-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CCC[C@H](CSCc1ccc(Cl)o1)[NH2+]C ZINC000757172432 582551776 /nfs/dbraw/zinc/55/17/76/582551776.db2.gz XOUFSDXEISTPHX-SECBINFHSA-N 1 0 247.791 3.554 10 0 BHAERO CCC[C@@H](CSCc1ccc(Cl)o1)[NH2+]C ZINC000757172435 582552070 /nfs/dbraw/zinc/55/20/70/582552070.db2.gz XOUFSDXEISTPHX-VIFPVBQESA-N 1 0 247.791 3.554 10 0 BHAERO CC[C@@H]([NH3+])CCCSCc1ccc(Cl)o1 ZINC000757172442 582551989 /nfs/dbraw/zinc/55/19/89/582551989.db2.gz XPSUBOIQPFTCQA-SECBINFHSA-N 1 0 247.791 3.684 10 0 BHAERO CC[C@H]([NH3+])CCCSCc1ccc(Cl)o1 ZINC000757172448 582551773 /nfs/dbraw/zinc/55/17/73/582551773.db2.gz XPSUBOIQPFTCQA-VIFPVBQESA-N 1 0 247.791 3.684 10 0 BHAERO CCC(C)(C)C1CCC(C2(C[NH3+])CC2)CC1 ZINC000757183320 586434173 /nfs/dbraw/zinc/43/41/73/586434173.db2.gz NTRGECGSNLUTMQ-UHFFFAOYSA-N 1 0 223.404 3.968 10 0 BHAERO CC(C)(C)C1CCC(C2(C[NH3+])CC2)CC1 ZINC000757183644 586434115 /nfs/dbraw/zinc/43/41/15/586434115.db2.gz RGDRUXPLVPAUEB-UHFFFAOYSA-N 1 0 209.377 3.578 10 0 BHAERO CC1(C)CC(C2(C[NH3+])CC2)CC(C)(C)C1 ZINC000757183908 586434000 /nfs/dbraw/zinc/43/40/00/586434000.db2.gz SQCGLIOWNKJGAI-UHFFFAOYSA-N 1 0 209.377 3.578 10 0 BHAERO Cc1ccc2c(c1)C1(CCCC1)CC[C@H]2[NH3+] ZINC000757185710 586434195 /nfs/dbraw/zinc/43/41/95/586434195.db2.gz DNVUOJGLTOVZIT-CQSZACIVSA-N 1 0 215.340 3.600 10 0 BHAERO Cc1cc(F)cc2c1[C@H]([NH3+])CCC21CCCC1 ZINC000757185748 586434167 /nfs/dbraw/zinc/43/41/67/586434167.db2.gz DPQGJRFCLWYHOF-CYBMUJFWSA-N 1 0 233.330 3.740 10 0 BHAERO Cc1cc(F)cc2c1[C@@H]([NH3+])CCC21CCCC1 ZINC000757185770 586434113 /nfs/dbraw/zinc/43/41/13/586434113.db2.gz DPQGJRFCLWYHOF-ZDUSSCGKSA-N 1 0 233.330 3.740 10 0 BHAERO [NH3+][C@@H]1CCC2(CCC2)c2cc(Cl)ccc21 ZINC000757185914 586434447 /nfs/dbraw/zinc/43/44/47/586434447.db2.gz FJDDZXABZFMKIO-GFCCVEGCSA-N 1 0 221.731 3.555 10 0 BHAERO [NH3+][C@H]1CCC2(CCC2)c2cc(Cl)ccc21 ZINC000757185971 586434427 /nfs/dbraw/zinc/43/44/27/586434427.db2.gz FJDDZXABZFMKIO-LBPRGKRZSA-N 1 0 221.731 3.555 10 0 BHAERO CCOc1ccc2c(c1)C1(CCCC1)CC[C@@H]2[NH3+] ZINC000757186188 582555164 /nfs/dbraw/zinc/55/51/64/582555164.db2.gz GQCLZVABMRSHGX-HNNXBMFYSA-N 1 0 245.366 3.691 10 0 BHAERO CCOc1ccc2c(c1)C1(CCCC1)CC[C@H]2[NH3+] ZINC000757186191 582555453 /nfs/dbraw/zinc/55/54/53/582555453.db2.gz GQCLZVABMRSHGX-OAHLLOKOSA-N 1 0 245.366 3.691 10 0 BHAERO Cc1ccc(F)c2c1C1(CCCC1)CC[C@H]2[NH3+] ZINC000757186510 582555461 /nfs/dbraw/zinc/55/54/61/582555461.db2.gz IKBQRKRJXMXDLO-GFCCVEGCSA-N 1 0 233.330 3.740 10 0 BHAERO Cc1ccc(F)c2c1C1(CCCC1)CC[C@@H]2[NH3+] ZINC000757186512 582555247 /nfs/dbraw/zinc/55/52/47/582555247.db2.gz IKBQRKRJXMXDLO-LBPRGKRZSA-N 1 0 233.330 3.740 10 0 BHAERO [NH3+][C@@H]1CCC2(CCC2)c2cccc(Cl)c21 ZINC000757186624 582555237 /nfs/dbraw/zinc/55/52/37/582555237.db2.gz JLEYQJNYGFBOBF-LLVKDONJSA-N 1 0 221.731 3.555 10 0 BHAERO [NH3+][C@H]1CCC2(CCC2)c2cccc(Cl)c21 ZINC000757186629 586434741 /nfs/dbraw/zinc/43/47/41/586434741.db2.gz JLEYQJNYGFBOBF-NSHDSACASA-N 1 0 221.731 3.555 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2ccc(F)cc21 ZINC000757187211 586434379 /nfs/dbraw/zinc/43/43/79/586434379.db2.gz KLLDMSKBKQLUKU-CYBMUJFWSA-N 1 0 221.319 3.677 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2ccc(F)cc21 ZINC000757187212 586434721 /nfs/dbraw/zinc/43/47/21/586434721.db2.gz KLLDMSKBKQLUKU-ZDUSSCGKSA-N 1 0 221.319 3.677 10 0 BHAERO CC(C)c1ccc2c(c1)C(C)(C)CC[C@@H]2[NH3+] ZINC000757187590 586434796 /nfs/dbraw/zinc/43/47/96/586434796.db2.gz KZPMMEVKSJIDAT-AWEZNQCLSA-N 1 0 217.356 3.881 10 0 BHAERO CC(C)c1ccc2c(c1)C(C)(C)CC[C@H]2[NH3+] ZINC000757187683 582555386 /nfs/dbraw/zinc/55/53/86/582555386.db2.gz KZPMMEVKSJIDAT-CQSZACIVSA-N 1 0 217.356 3.881 10 0 BHAERO CC(C)c1ccc2c(c1)C1(CC1)CC[C@@H]2[NH3+] ZINC000757187904 586435202 /nfs/dbraw/zinc/43/52/02/586435202.db2.gz LLBPCXYHVRBHNB-AWEZNQCLSA-N 1 0 215.340 3.635 10 0 BHAERO CC(C)c1ccc2c(c1)C1(CC1)CC[C@H]2[NH3+] ZINC000757187914 586435194 /nfs/dbraw/zinc/43/51/94/586435194.db2.gz LLBPCXYHVRBHNB-CQSZACIVSA-N 1 0 215.340 3.635 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCC2)c2cc(Cl)ccc21 ZINC000757188021 586434848 /nfs/dbraw/zinc/43/48/48/586434848.db2.gz MAKFPCCXYHBMNJ-CYBMUJFWSA-N 1 0 235.758 3.945 10 0 BHAERO [NH3+][C@H]1CCC2(CCCC2)c2cc(Cl)ccc21 ZINC000757188038 586434870 /nfs/dbraw/zinc/43/48/70/586434870.db2.gz MAKFPCCXYHBMNJ-ZDUSSCGKSA-N 1 0 235.758 3.945 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2c(F)cc(F)cc21 ZINC000757188042 586435218 /nfs/dbraw/zinc/43/52/18/586435218.db2.gz MBXKLPASMAERIE-GFCCVEGCSA-N 1 0 239.309 3.816 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2c(F)cc(F)cc21 ZINC000757188045 586434879 /nfs/dbraw/zinc/43/48/79/586434879.db2.gz MBXKLPASMAERIE-LBPRGKRZSA-N 1 0 239.309 3.816 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCC2)c2c(F)cc(F)cc21 ZINC000757188048 586434851 /nfs/dbraw/zinc/43/48/51/586434851.db2.gz MCZSGESGJZHRRY-GFCCVEGCSA-N 1 0 237.293 3.570 10 0 BHAERO [NH3+][C@H]1CCC2(CCCC2)c2c(F)cc(F)cc21 ZINC000757188059 586435126 /nfs/dbraw/zinc/43/51/26/586435126.db2.gz MCZSGESGJZHRRY-LBPRGKRZSA-N 1 0 237.293 3.570 10 0 BHAERO [NH3+][C@@H]1CCC2(CC2)c2cc(C(F)(F)F)ccc21 ZINC000757188708 582556110 /nfs/dbraw/zinc/55/61/10/582556110.db2.gz NUKNTFIKSBUJLJ-LLVKDONJSA-N 1 0 241.256 3.531 10 0 BHAERO [NH3+][C@H]1CCC2(CC2)c2cc(C(F)(F)F)ccc21 ZINC000757188716 582555922 /nfs/dbraw/zinc/55/59/22/582555922.db2.gz NUKNTFIKSBUJLJ-NSHDSACASA-N 1 0 241.256 3.531 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2c(C)cc(F)cc21 ZINC000757188750 582555916 /nfs/dbraw/zinc/55/59/16/582555916.db2.gz OCMOOWNZQMFPAM-CYBMUJFWSA-N 1 0 235.346 3.986 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2c(C)cc(F)cc21 ZINC000757188754 582556013 /nfs/dbraw/zinc/55/60/13/582556013.db2.gz OCMOOWNZQMFPAM-ZDUSSCGKSA-N 1 0 235.346 3.986 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2cc(F)cc(F)c21 ZINC000757188863 586435265 /nfs/dbraw/zinc/43/52/65/586435265.db2.gz ONVBAOQLPOKBMD-GFCCVEGCSA-N 1 0 239.309 3.816 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2cc(F)cc(F)c21 ZINC000757188878 586435229 /nfs/dbraw/zinc/43/52/29/586435229.db2.gz ONVBAOQLPOKBMD-LBPRGKRZSA-N 1 0 239.309 3.816 10 0 BHAERO [NH3+][C@H]1CCC2(CCCCC2)c2ccccc21 ZINC000757188949 586434913 /nfs/dbraw/zinc/43/49/13/586434913.db2.gz OUQWKVHNBZKYBM-AWEZNQCLSA-N 1 0 215.340 3.682 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCCC2)c2ccccc21 ZINC000757188963 586435222 /nfs/dbraw/zinc/43/52/22/586435222.db2.gz OUQWKVHNBZKYBM-CQSZACIVSA-N 1 0 215.340 3.682 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCC2)c2cccc(Cl)c21 ZINC000757189228 586435082 /nfs/dbraw/zinc/43/50/82/586435082.db2.gz PSGQKEBHLIVAKL-GFCCVEGCSA-N 1 0 235.758 3.945 10 0 BHAERO [NH3+][C@H]1CCC2(CCCC2)c2cccc(Cl)c21 ZINC000757189234 586434867 /nfs/dbraw/zinc/43/48/67/586434867.db2.gz PSGQKEBHLIVAKL-LBPRGKRZSA-N 1 0 235.758 3.945 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCCC2)c2cccc(F)c21 ZINC000757189460 586435134 /nfs/dbraw/zinc/43/51/34/586435134.db2.gz RBOWLVFKKXMJMF-CYBMUJFWSA-N 1 0 233.330 3.821 10 0 BHAERO [NH3+][C@H]1CCC2(CCCCC2)c2cccc(F)c21 ZINC000757189469 586435255 /nfs/dbraw/zinc/43/52/55/586435255.db2.gz RBOWLVFKKXMJMF-ZDUSSCGKSA-N 1 0 233.330 3.821 10 0 BHAERO CCOc1ccc2c(c1)C(CC)(CC)CC[C@@H]2[NH3+] ZINC000757189550 586435559 /nfs/dbraw/zinc/43/55/59/586435559.db2.gz RGVOHJYSEBHBQK-HNNXBMFYSA-N 1 0 247.382 3.937 10 0 BHAERO CCOc1ccc2c(c1)C(CC)(CC)CC[C@H]2[NH3+] ZINC000757189561 582555773 /nfs/dbraw/zinc/55/57/73/582555773.db2.gz RGVOHJYSEBHBQK-OAHLLOKOSA-N 1 0 247.382 3.937 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2ccccc21 ZINC000757189632 586435636 /nfs/dbraw/zinc/43/56/36/586435636.db2.gz SGFMCXMQBKIOOT-CYBMUJFWSA-N 1 0 203.329 3.538 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2ccccc21 ZINC000757189634 586435413 /nfs/dbraw/zinc/43/54/13/586435413.db2.gz SGFMCXMQBKIOOT-ZDUSSCGKSA-N 1 0 203.329 3.538 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2c(C)cccc21 ZINC000757190276 586435500 /nfs/dbraw/zinc/43/55/00/586435500.db2.gz VDQBEBHCOCLOBJ-CYBMUJFWSA-N 1 0 217.356 3.846 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2c(C)cccc21 ZINC000757190294 582555946 /nfs/dbraw/zinc/55/59/46/582555946.db2.gz VDQBEBHCOCLOBJ-ZDUSSCGKSA-N 1 0 217.356 3.846 10 0 BHAERO CCC1(CC)CC[C@@H]([NH3+])c2c(F)cccc21 ZINC000757190420 586435453 /nfs/dbraw/zinc/43/54/53/586435453.db2.gz WPPBQGNUEQQHPV-GFCCVEGCSA-N 1 0 221.319 3.677 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2c(F)cccc21 ZINC000757190422 586435341 /nfs/dbraw/zinc/43/53/41/586435341.db2.gz WPPBQGNUEQQHPV-LBPRGKRZSA-N 1 0 221.319 3.677 10 0 BHAERO CCC1(CC)CC[C@H]([NH3+])c2ccc(C)cc21 ZINC000757190439 586435432 /nfs/dbraw/zinc/43/54/32/586435432.db2.gz WXPVFSCYIWSOQD-AWEZNQCLSA-N 1 0 217.356 3.846 10 0 BHAERO [NH3+][C@@H]1CCC2(CCCC2)c2cc(F)cc(F)c21 ZINC000757190522 586435456 /nfs/dbraw/zinc/43/54/56/586435456.db2.gz XILGPCDYGYAKPT-GFCCVEGCSA-N 1 0 237.293 3.570 10 0 BHAERO CCc1ccc2c(c1)C1(CCCC1)CC[C@@H]2[NH3+] ZINC000757190671 643363231 /nfs/dbraw/zinc/36/32/31/643363231.db2.gz YQFZOSYBWHZKQX-HNNXBMFYSA-N 1 0 229.367 3.854 10 0 BHAERO CCc1ccc2c(c1)C1(CCCC1)CC[C@H]2[NH3+] ZINC000757190674 643361960 /nfs/dbraw/zinc/36/19/60/643361960.db2.gz YQFZOSYBWHZKQX-OAHLLOKOSA-N 1 0 229.367 3.854 10 0 BHAERO Cc1cccc2c1[C@@H]([NH3+])CCC21CCCCC1 ZINC000757190821 643363200 /nfs/dbraw/zinc/36/32/00/643363200.db2.gz ZPDATFQITDSLPW-AWEZNQCLSA-N 1 0 229.367 3.991 10 0 BHAERO Cc1cccc2c1[C@H]([NH3+])CCC21CCCCC1 ZINC000757190842 643362866 /nfs/dbraw/zinc/36/28/66/643362866.db2.gz ZPDATFQITDSLPW-CQSZACIVSA-N 1 0 229.367 3.991 10 0 BHAERO CC1(C)CC2(CCC[C@H]2[NH3+])CC(C)(C)C1 ZINC000757194091 582557986 /nfs/dbraw/zinc/55/79/86/582557986.db2.gz AEVIOWXRENQMNP-LLVKDONJSA-N 1 0 209.377 3.720 10 0 BHAERO CC1(C)CC2(CCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000757194095 582558657 /nfs/dbraw/zinc/55/86/57/582558657.db2.gz AEVIOWXRENQMNP-NSHDSACASA-N 1 0 209.377 3.720 10 0 BHAERO CC1(C)CC2(CCC[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000757195559 586436454 /nfs/dbraw/zinc/43/64/54/586436454.db2.gz MAIKSIWFRUFZIS-GFCCVEGCSA-N 1 0 223.404 3.968 10 0 BHAERO CC1(C)CC2(CCC[C@H]2C[NH3+])CC(C)(C)C1 ZINC000757195565 586436495 /nfs/dbraw/zinc/43/64/95/586436495.db2.gz MAIKSIWFRUFZIS-LBPRGKRZSA-N 1 0 223.404 3.968 10 0 BHAERO CC1(C)CCC2(CCC[C@@H]2CC[NH3+])CC1 ZINC000757196426 643366824 /nfs/dbraw/zinc/36/68/24/643366824.db2.gz XZOWTUGRWNYFEM-GFCCVEGCSA-N 1 0 209.377 3.722 10 0 BHAERO CC1(C)CCC2(CCC[C@H]2CC[NH3+])CC1 ZINC000757196427 643366027 /nfs/dbraw/zinc/36/60/27/643366027.db2.gz XZOWTUGRWNYFEM-LBPRGKRZSA-N 1 0 209.377 3.722 10 0 BHAERO C[C@@H]1CC[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]C1 ZINC000757208312 586437673 /nfs/dbraw/zinc/43/76/73/586437673.db2.gz CHNTVRWXYLUHJQ-DOMZBBRYSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1CC[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]C1 ZINC000757208326 586437851 /nfs/dbraw/zinc/43/78/51/586437851.db2.gz CHNTVRWXYLUHJQ-IUODEOHRSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CC[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]C1 ZINC000757208336 586437776 /nfs/dbraw/zinc/43/77/76/586437776.db2.gz CHNTVRWXYLUHJQ-SWLSCSKDSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CC[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]C1 ZINC000757208337 586438071 /nfs/dbraw/zinc/43/80/71/586438071.db2.gz CHNTVRWXYLUHJQ-WFASDCNBSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757210162 586438541 /nfs/dbraw/zinc/43/85/41/586438541.db2.gz AKTPATVXKKCSIC-GMSGAONNSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757210171 586438262 /nfs/dbraw/zinc/43/82/62/586438262.db2.gz AKTPATVXKKCSIC-OIBJUYFYSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757210181 586438357 /nfs/dbraw/zinc/43/83/57/586438357.db2.gz AKTPATVXKKCSIC-XCBNKYQSSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757210198 586436870 /nfs/dbraw/zinc/43/68/70/586436870.db2.gz AKTPATVXKKCSIC-XVKPBYJWSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@H]1CC[C@@H](c2ccc(C3(C)CC3)cc2)C[NH2+]1 ZINC000757210545 586438593 /nfs/dbraw/zinc/43/85/93/586438593.db2.gz GAIVKDCMJQCTQV-GXTWGEPZSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@H]1CC[C@H](c2ccc(C3(C)CC3)cc2)C[NH2+]1 ZINC000757210570 586438398 /nfs/dbraw/zinc/43/83/98/586438398.db2.gz GAIVKDCMJQCTQV-JSGCOSHPSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1CC[C@H](c2ccc(C3(C)CC3)cc2)C[NH2+]1 ZINC000757210585 586438522 /nfs/dbraw/zinc/43/85/22/586438522.db2.gz GAIVKDCMJQCTQV-OCCSQVGLSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1CC[C@@H](c2ccc(C3(C)CC3)cc2)C[NH2+]1 ZINC000757210588 586438615 /nfs/dbraw/zinc/43/86/15/586438615.db2.gz GAIVKDCMJQCTQV-TZMCWYRMSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1C[C@@H](c2ccc(C3(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000757212857 586439459 /nfs/dbraw/zinc/43/94/59/586439459.db2.gz KAPAHCIJSFGBOQ-AGGWBTHJSA-N 1 0 243.394 3.982 10 0 BHAERO C[C@@H]1CC(c2ccc(C3(C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000757212870 586439237 /nfs/dbraw/zinc/43/92/37/586439237.db2.gz KAPAHCIJSFGBOQ-CHWSQXEVSA-N 1 0 243.394 3.982 10 0 BHAERO C[C@H]1CC(c2ccc(C3(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000757212872 586439435 /nfs/dbraw/zinc/43/94/35/586439435.db2.gz KAPAHCIJSFGBOQ-STQMWFEESA-N 1 0 243.394 3.982 10 0 BHAERO CC1(c2ccc([C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000757213079 586437455 /nfs/dbraw/zinc/43/74/55/586437455.db2.gz KXTGKFRINBIEIN-AWEZNQCLSA-N 1 0 215.340 3.553 10 0 BHAERO CC1(c2ccc([C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000757213533 586439934 /nfs/dbraw/zinc/43/99/34/586439934.db2.gz KXTGKFRINBIEIN-CQSZACIVSA-N 1 0 215.340 3.553 10 0 BHAERO C[C@@H]1CC[NH2+][C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757215990 582560638 /nfs/dbraw/zinc/56/06/38/582560638.db2.gz OSZLPJCKMQGSCW-DOMZBBRYSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1CC[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757215995 586440760 /nfs/dbraw/zinc/44/07/60/586440760.db2.gz OSZLPJCKMQGSCW-IUODEOHRSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CC[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757215997 586440881 /nfs/dbraw/zinc/44/08/81/586440881.db2.gz OSZLPJCKMQGSCW-SWLSCSKDSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CC[NH2+][C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757216001 586440545 /nfs/dbraw/zinc/44/05/45/586440545.db2.gz OSZLPJCKMQGSCW-WFASDCNBSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1CCC[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757216929 582561385 /nfs/dbraw/zinc/56/13/85/582561385.db2.gz QUGJNIUVERRGTE-DOMZBBRYSA-N 1 0 229.367 3.941 10 0 BHAERO C[C@@H]1CCC[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757216931 582561426 /nfs/dbraw/zinc/56/14/26/582561426.db2.gz QUGJNIUVERRGTE-IUODEOHRSA-N 1 0 229.367 3.941 10 0 BHAERO C[C@H]1CCC[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757216932 582561689 /nfs/dbraw/zinc/56/16/89/582561689.db2.gz QUGJNIUVERRGTE-SWLSCSKDSA-N 1 0 229.367 3.941 10 0 BHAERO C[C@H]1CCC[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757216934 582561581 /nfs/dbraw/zinc/56/15/81/582561581.db2.gz QUGJNIUVERRGTE-WFASDCNBSA-N 1 0 229.367 3.941 10 0 BHAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757217022 586441413 /nfs/dbraw/zinc/44/14/13/586441413.db2.gz RCRZNFIRAZIBQS-GYSYKLTISA-N 1 0 228.339 3.617 10 0 BHAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217024 586441304 /nfs/dbraw/zinc/44/13/04/586441304.db2.gz RCRZNFIRAZIBQS-JTNHKYCSSA-N 1 0 228.339 3.617 10 0 BHAERO C[C@@H]1C[C@H](C)[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757217030 586441027 /nfs/dbraw/zinc/44/10/27/586441027.db2.gz RCRZNFIRAZIBQS-SUNKGSAMSA-N 1 0 228.339 3.617 10 0 BHAERO C[C@H]1C[C@H](c2cccc3cc[nH]c32)[NH2+][C@@H](C)C1 ZINC000757217040 586441036 /nfs/dbraw/zinc/44/10/36/586441036.db2.gz RCRZNFIRAZIBQS-UHIISALHSA-N 1 0 228.339 3.617 10 0 BHAERO C[C@H]1C[C@H](c2ccc(C3(C)CC3)cc2)CC[NH2+]1 ZINC000757218650 582563128 /nfs/dbraw/zinc/56/31/28/582563128.db2.gz VQMCXSOXSWDCOP-GXTWGEPZSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@H]1C[C@@H](c2ccc(C3(C)CC3)cc2)CC[NH2+]1 ZINC000757218651 582563847 /nfs/dbraw/zinc/56/38/47/582563847.db2.gz VQMCXSOXSWDCOP-JSGCOSHPSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1C[C@@H](c2ccc(C3(C)CC3)cc2)CC[NH2+]1 ZINC000757218653 582563676 /nfs/dbraw/zinc/56/36/76/582563676.db2.gz VQMCXSOXSWDCOP-OCCSQVGLSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1C[C@H](c2ccc(C3(C)CC3)cc2)CC[NH2+]1 ZINC000757218655 582563668 /nfs/dbraw/zinc/56/36/68/582563668.db2.gz VQMCXSOXSWDCOP-TZMCWYRMSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1CCC[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219271 586442451 /nfs/dbraw/zinc/44/24/51/586442451.db2.gz WIVYIHGDXVHXFA-DOMZBBRYSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@@H]1CCC[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219272 586442408 /nfs/dbraw/zinc/44/24/08/586442408.db2.gz WIVYIHGDXVHXFA-IUODEOHRSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CCC[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219274 586442335 /nfs/dbraw/zinc/44/23/35/586442335.db2.gz WIVYIHGDXVHXFA-SWLSCSKDSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1CCC[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219275 586442243 /nfs/dbraw/zinc/44/22/43/586442243.db2.gz WIVYIHGDXVHXFA-WFASDCNBSA-N 1 0 229.367 3.799 10 0 BHAERO C[C@H]1[NH2+]CCC[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219460 582563157 /nfs/dbraw/zinc/56/31/57/582563157.db2.gz XBFUMVPMJVZFKG-DOMZBBRYSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@H]1[NH2+]CCC[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219463 582563515 /nfs/dbraw/zinc/56/35/15/582563515.db2.gz XBFUMVPMJVZFKG-IUODEOHRSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1[NH2+]CCC[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219465 582563466 /nfs/dbraw/zinc/56/34/66/582563466.db2.gz XBFUMVPMJVZFKG-SWLSCSKDSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1[NH2+]CCC[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219472 582563485 /nfs/dbraw/zinc/56/34/85/582563485.db2.gz XBFUMVPMJVZFKG-WFASDCNBSA-N 1 0 229.367 3.594 10 0 BHAERO C[C@@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757231003 586443086 /nfs/dbraw/zinc/44/30/86/586443086.db2.gz GGZVKMBXKILPDC-HTQZYQBOSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757231009 586443244 /nfs/dbraw/zinc/44/32/44/586443244.db2.gz GGZVKMBXKILPDC-JGVFFNPUSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757231013 586443271 /nfs/dbraw/zinc/44/32/71/586443271.db2.gz GGZVKMBXKILPDC-SFYZADRCSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757231016 586443172 /nfs/dbraw/zinc/44/31/72/586443172.db2.gz GGZVKMBXKILPDC-YUMQZZPRSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1C[NH2+][C@@H](c2cscc2C(F)F)[C@@H](C)C1 ZINC000757233212 586443283 /nfs/dbraw/zinc/44/32/83/586443283.db2.gz JYYGAQANWXYXQM-DKCNOQQISA-N 1 0 245.338 3.992 10 0 BHAERO C[C@@H]1C[NH2+][C@H](c2cscc2C(F)F)[C@@H](C)C1 ZINC000757233223 586442989 /nfs/dbraw/zinc/44/29/89/586442989.db2.gz JYYGAQANWXYXQM-LAEOZQHASA-N 1 0 245.338 3.992 10 0 BHAERO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1c1cscc1C(F)F ZINC000757233229 586442992 /nfs/dbraw/zinc/44/29/92/586442992.db2.gz JYYGAQANWXYXQM-RNSXUZJQSA-N 1 0 245.338 3.992 10 0 BHAERO C[C@@H]1C[C@H](C)C[NH2+][C@H]1c1cscc1C(F)F ZINC000757234028 586443301 /nfs/dbraw/zinc/44/33/01/586443301.db2.gz JYYGAQANWXYXQM-VAOFZXAKSA-N 1 0 245.338 3.992 10 0 BHAERO C[C@H]1[NH2+]CCC[C@H]1c1cscc1C(F)F ZINC000757236995 586443855 /nfs/dbraw/zinc/44/38/55/586443855.db2.gz PCCBWTSCOCYMLA-HTQZYQBOSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1[NH2+]CCC[C@H]1c1cscc1C(F)F ZINC000757237001 586443848 /nfs/dbraw/zinc/44/38/48/586443848.db2.gz PCCBWTSCOCYMLA-JGVFFNPUSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@H]1[NH2+]CCC[C@@H]1c1cscc1C(F)F ZINC000757237006 586443668 /nfs/dbraw/zinc/44/36/68/586443668.db2.gz PCCBWTSCOCYMLA-SFYZADRCSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1[NH2+]CCC[C@@H]1c1cscc1C(F)F ZINC000757237009 586443540 /nfs/dbraw/zinc/44/35/40/586443540.db2.gz PCCBWTSCOCYMLA-YUMQZZPRSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757237453 586443736 /nfs/dbraw/zinc/44/37/36/586443736.db2.gz QBRVZZAVNRUJFP-HTQZYQBOSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757237456 586443975 /nfs/dbraw/zinc/44/39/75/586443975.db2.gz QBRVZZAVNRUJFP-JGVFFNPUSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757237531 586443836 /nfs/dbraw/zinc/44/38/36/586443836.db2.gz QBRVZZAVNRUJFP-SFYZADRCSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757237533 586443564 /nfs/dbraw/zinc/44/35/64/586443564.db2.gz QBRVZZAVNRUJFP-YUMQZZPRSA-N 1 0 231.311 3.541 10 0 BHAERO C[C@@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239234 586444186 /nfs/dbraw/zinc/44/41/86/586444186.db2.gz TUNBTXNNFHHKMB-GMSGAONNSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239236 586444090 /nfs/dbraw/zinc/44/40/90/586444090.db2.gz TUNBTXNNFHHKMB-OIBJUYFYSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239240 586444385 /nfs/dbraw/zinc/44/43/85/586444385.db2.gz TUNBTXNNFHHKMB-XCBNKYQSSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239245 586444275 /nfs/dbraw/zinc/44/42/75/586444275.db2.gz TUNBTXNNFHHKMB-XVKPBYJWSA-N 1 0 231.311 3.746 10 0 BHAERO C[C@@H]1C[C@@H](c2cscc2C(F)F)C[C@H](C)[NH2+]1 ZINC000757239574 586444112 /nfs/dbraw/zinc/44/41/12/586444112.db2.gz UVVPWLCDEQDHAD-AYMMMOKOSA-N 1 0 245.338 3.930 10 0 BHAERO C[C@@H]1CC(c2cscc2C(F)F)C[C@@H](C)[NH2+]1 ZINC000757239576 586444148 /nfs/dbraw/zinc/44/41/48/586444148.db2.gz UVVPWLCDEQDHAD-HTQZYQBOSA-N 1 0 245.338 3.930 10 0 BHAERO C[C@H]1CC(c2cscc2C(F)F)C[C@H](C)[NH2+]1 ZINC000757239581 586444134 /nfs/dbraw/zinc/44/41/34/586444134.db2.gz UVVPWLCDEQDHAD-YUMQZZPRSA-N 1 0 245.338 3.930 10 0 BHAERO CC(C)[N@@H+]1CCC=C(C2=CCCCC2)C1 ZINC000757565636 586461261 /nfs/dbraw/zinc/46/12/61/586461261.db2.gz HCLJSLMUQSIRHT-UHFFFAOYSA-N 1 0 205.345 3.527 10 0 BHAERO CCOc1cccc(C2=CC[C@](C)([NH3+])CC2)c1F ZINC000757565662 586461086 /nfs/dbraw/zinc/46/10/86/586461086.db2.gz HHRSRFKRMMGWRN-HNNXBMFYSA-N 1 0 249.329 3.509 10 0 BHAERO CCOc1cccc(C2=CC[C@@](C)([NH3+])CC2)c1F ZINC000757565663 586461233 /nfs/dbraw/zinc/46/12/33/586461233.db2.gz HHRSRFKRMMGWRN-OAHLLOKOSA-N 1 0 249.329 3.509 10 0 BHAERO C[NH2+]CCCOc1ccc(C2=CCCCC2)cc1 ZINC000757565931 586461626 /nfs/dbraw/zinc/46/16/26/586461626.db2.gz JKXLSPOAFSNDQY-UHFFFAOYSA-N 1 0 245.366 3.632 10 0 BHAERO CC[C@]1([NH3+])CC=C(c2cccc(OC)c2F)CC1 ZINC000757566904 586306509 /nfs/dbraw/zinc/30/65/09/586306509.db2.gz MSYYYQHLYPLPDR-HNNXBMFYSA-N 1 0 249.329 3.509 10 0 BHAERO CC[C@@]1([NH3+])CC=C(c2cccc(OC)c2F)CC1 ZINC000757566915 586306293 /nfs/dbraw/zinc/30/62/93/586306293.db2.gz MSYYYQHLYPLPDR-OAHLLOKOSA-N 1 0 249.329 3.509 10 0 BHAERO CCC[N@@H+]1CCC=C(C2=CCCCC2)C1 ZINC000757568549 586462119 /nfs/dbraw/zinc/46/21/19/586462119.db2.gz RODYCFVSARTBSX-UHFFFAOYSA-N 1 0 205.345 3.529 10 0 BHAERO CCC[N@@H+]1CCC[C@H](C2=CCCCC2)C1 ZINC000757569016 586462643 /nfs/dbraw/zinc/46/26/43/586462643.db2.gz UULPFHMXOZFWCA-AWEZNQCLSA-N 1 0 207.361 3.609 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](C2=CCCCC2)C1 ZINC000757569018 586462400 /nfs/dbraw/zinc/46/24/00/586462400.db2.gz UULPFHMXOZFWCA-CQSZACIVSA-N 1 0 207.361 3.609 10 0 BHAERO CC(C)[N@@H+]1CCC[C@H](C2=CCCCC2)C1 ZINC000757569072 586462352 /nfs/dbraw/zinc/46/23/52/586462352.db2.gz VRYLKSRZPZLGDR-AWEZNQCLSA-N 1 0 207.361 3.607 10 0 BHAERO CC(C)[N@@H+]1CCC[C@@H](C2=CCCCC2)C1 ZINC000757569076 586365479 /nfs/dbraw/zinc/36/54/79/586365479.db2.gz VRYLKSRZPZLGDR-CQSZACIVSA-N 1 0 207.361 3.607 10 0 BHAERO CC[C@]1([NH3+])CC=C(C2=CCCCC2)CC1 ZINC000757569555 586366309 /nfs/dbraw/zinc/36/63/09/586366309.db2.gz XGKFVSXAVHIRAM-AWEZNQCLSA-N 1 0 205.345 3.705 10 0 BHAERO CC[C@@]1([NH3+])CC=C(C2=CCCCC2)CC1 ZINC000757569557 586366895 /nfs/dbraw/zinc/36/68/95/586366895.db2.gz XGKFVSXAVHIRAM-CQSZACIVSA-N 1 0 205.345 3.705 10 0 BHAERO CCC[N@@H+]1CCC=C(c2ccc(C)cc2F)C1 ZINC000757570062 586462768 /nfs/dbraw/zinc/46/27/68/586462768.db2.gz AMCOBMJWKVXPFU-UHFFFAOYSA-N 1 0 233.330 3.633 10 0 BHAERO CCC[N@@H+]1CCC=C(c2cccc3cc[nH]c32)C1 ZINC000757570162 586462414 /nfs/dbraw/zinc/46/24/14/586462414.db2.gz ATAARLQPPCJTJY-UHFFFAOYSA-N 1 0 240.350 3.667 10 0 BHAERO CC[C@]1([NH3+])CC=C(c2ccc(C)cc2F)CC1 ZINC000757570361 586462470 /nfs/dbraw/zinc/46/24/70/586462470.db2.gz CNKDBLUTLXQGEG-HNNXBMFYSA-N 1 0 233.330 3.809 10 0 BHAERO CC[C@@]1([NH3+])CC=C(c2ccc(C)cc2F)CC1 ZINC000757570362 586462753 /nfs/dbraw/zinc/46/27/53/586462753.db2.gz CNKDBLUTLXQGEG-OAHLLOKOSA-N 1 0 233.330 3.809 10 0 BHAERO CC[C@]1([NH3+])CC=C(c2cccc3cc[nH]c32)CC1 ZINC000757570987 586462427 /nfs/dbraw/zinc/46/24/27/586462427.db2.gz GODSQWGQIYFBJE-INIZCTEOSA-N 1 0 240.350 3.843 10 0 BHAERO CC[C@@]1([NH3+])CC=C(c2cccc3cc[nH]c32)CC1 ZINC000757570988 586462368 /nfs/dbraw/zinc/46/23/68/586462368.db2.gz GODSQWGQIYFBJE-MRXNPFEDSA-N 1 0 240.350 3.843 10 0 BHAERO CC1(c2cccc(-c3cccc(C[NH3+])c3)c2)CC1 ZINC000757571027 586462327 /nfs/dbraw/zinc/46/23/27/586462327.db2.gz HXXDHRIQONOGNH-UHFFFAOYSA-N 1 0 237.346 3.864 10 0 BHAERO CCC[N@@H+]1CCC[C@@H](c2ccc(C)cc2F)C1 ZINC000757571423 586462667 /nfs/dbraw/zinc/46/26/67/586462667.db2.gz KTSNOLPXYXNOAJ-CYBMUJFWSA-N 1 0 235.346 3.724 10 0 BHAERO CCC[N@@H+]1CCC[C@H](c2ccc(C)cc2F)C1 ZINC000757571430 586462526 /nfs/dbraw/zinc/46/25/26/586462526.db2.gz KTSNOLPXYXNOAJ-ZDUSSCGKSA-N 1 0 235.346 3.724 10 0 BHAERO CC1(c2ccccc2-c2cccc(C[NH3+])c2)CC1 ZINC000757571817 586462765 /nfs/dbraw/zinc/46/27/65/586462765.db2.gz MUZUIFBGSQLWTJ-UHFFFAOYSA-N 1 0 237.346 3.864 10 0 BHAERO CC[N@@H+]1CCC=C(c2ccc(C3(C)CC3)cc2)C1 ZINC000757571889 586463073 /nfs/dbraw/zinc/46/30/73/586463073.db2.gz NHCSADBYYNYEMB-UHFFFAOYSA-N 1 0 241.378 3.847 10 0 BHAERO CCOc1cc(F)ccc1C1=CC[C@](C)([NH3+])CC1 ZINC000757572509 586462840 /nfs/dbraw/zinc/46/28/40/586462840.db2.gz SENKSMUMGCXMRX-HNNXBMFYSA-N 1 0 249.329 3.509 10 0 BHAERO CCOc1cc(F)ccc1C1=CC[C@@](C)([NH3+])CC1 ZINC000757572511 586463177 /nfs/dbraw/zinc/46/31/77/586463177.db2.gz SENKSMUMGCXMRX-OAHLLOKOSA-N 1 0 249.329 3.509 10 0 BHAERO Cc1ccc([C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000757572707 586382527 /nfs/dbraw/zinc/38/25/27/586382527.db2.gz SXAIQDILZUNMJZ-CYBMUJFWSA-N 1 0 235.346 3.722 10 0 BHAERO Cc1ccc([C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000757572709 586382614 /nfs/dbraw/zinc/38/26/14/586382614.db2.gz SXAIQDILZUNMJZ-ZDUSSCGKSA-N 1 0 235.346 3.722 10 0 BHAERO CC[C@]1([NH3+])CC=C(c2ccc(OC)cc2F)CC1 ZINC000757572795 586382166 /nfs/dbraw/zinc/38/21/66/586382166.db2.gz UEXFBPQOKLKQTP-HNNXBMFYSA-N 1 0 249.329 3.509 10 0 BHAERO CC[C@@]1([NH3+])CC=C(c2ccc(OC)cc2F)CC1 ZINC000757572806 586382652 /nfs/dbraw/zinc/38/26/52/586382652.db2.gz UEXFBPQOKLKQTP-OAHLLOKOSA-N 1 0 249.329 3.509 10 0 BHAERO Cc1ccc(C2=CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000757572830 586382932 /nfs/dbraw/zinc/38/29/32/586382932.db2.gz ULZIROOFPYYOCU-UHFFFAOYSA-N 1 0 233.330 3.632 10 0 BHAERO CC(C)[N@@H+]1CCC=C(c2cccc3cc[nH]c32)C1 ZINC000757572930 586462924 /nfs/dbraw/zinc/46/29/24/586462924.db2.gz VLURJEGVUVDHBW-UHFFFAOYSA-N 1 0 240.350 3.665 10 0 BHAERO CC1(c2ccc(-c3cccc(C[NH3+])c3)cc2)CC1 ZINC000757572932 586462988 /nfs/dbraw/zinc/46/29/88/586462988.db2.gz VLXORMCNZQCBNC-UHFFFAOYSA-N 1 0 237.346 3.864 10 0 BHAERO Cc1ccc(-c2ccc(C)c(CC[NH3+])c2)c(F)c1 ZINC000757573117 586462802 /nfs/dbraw/zinc/46/28/02/586462802.db2.gz XRJCISCWHJZLCQ-UHFFFAOYSA-N 1 0 243.325 3.611 10 0 BHAERO