smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235166651 966024360 /nfs/dbraw/zinc/02/43/60/966024360.db2.gz UVQYWRUADIAALG-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235166651 966024387 /nfs/dbraw/zinc/02/43/87/966024387.db2.gz UVQYWRUADIAALG-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990582 966210252 /nfs/dbraw/zinc/21/02/52/966210252.db2.gz KLILDQKWWJCPJT-FZMZJTMJSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990582 966210268 /nfs/dbraw/zinc/21/02/68/966210268.db2.gz KLILDQKWWJCPJT-FZMZJTMJSA-N 2 2 248.326 1.329 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001235994750 966216053 /nfs/dbraw/zinc/21/60/53/966216053.db2.gz QCJUIBPVYRBYJO-GWCFXTLKSA-N 2 2 236.290 1.454 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001235994750 966216070 /nfs/dbraw/zinc/21/60/70/966216070.db2.gz QCJUIBPVYRBYJO-GWCFXTLKSA-N 2 2 236.290 1.454 20 10 BDCDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203880677 966807847 /nfs/dbraw/zinc/80/78/47/966807847.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 2 2 248.326 1.091 20 10 BDCDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203880677 966807852 /nfs/dbraw/zinc/80/78/52/966807852.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 2 2 248.326 1.091 20 10 BDCDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203880677 966807855 /nfs/dbraw/zinc/80/78/55/966807855.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 2 2 248.326 1.091 20 10 BDCDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203880677 966807856 /nfs/dbraw/zinc/80/78/56/966807856.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 2 2 248.326 1.091 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235044640 978961119 /nfs/dbraw/zinc/96/11/19/978961119.db2.gz MUWYYEPNLMYBAN-UONOGXRCSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235044640 978961126 /nfs/dbraw/zinc/96/11/26/978961126.db2.gz MUWYYEPNLMYBAN-UONOGXRCSA-N 2 2 246.354 1.945 20 10 BDCDLP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981709 979256651 /nfs/dbraw/zinc/25/66/51/979256651.db2.gz SACUFKFPBQGXAG-FZMZJTMJSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981709 979256664 /nfs/dbraw/zinc/25/66/64/979256664.db2.gz SACUFKFPBQGXAG-FZMZJTMJSA-N 2 2 248.326 1.324 20 10 BDCDLP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236246466 979467099 /nfs/dbraw/zinc/46/70/99/979467099.db2.gz CPTRCSBZGXOFNX-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236246466 979467103 /nfs/dbraw/zinc/46/71/03/979467103.db2.gz CPTRCSBZGXOFNX-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758374 /nfs/dbraw/zinc/75/83/74/979758374.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758383 /nfs/dbraw/zinc/75/83/83/979758383.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758392 /nfs/dbraw/zinc/75/83/92/979758392.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758403 /nfs/dbraw/zinc/75/84/03/979758403.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP Nc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246170993 987532292 /nfs/dbraw/zinc/53/22/92/987532292.db2.gz PLHGRBNVWXYNKG-LBPRGKRZSA-N 2 2 205.305 1.110 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377702729 183301459 /nfs/dbraw/zinc/30/14/59/183301459.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 2 2 232.327 1.672 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000377702729 183301461 /nfs/dbraw/zinc/30/14/61/183301461.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 2 2 232.327 1.672 20 10 BDCDLP C[C@H]([NH2+]CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000037184062 383954443 /nfs/dbraw/zinc/95/44/43/383954443.db2.gz AMNJYGSYAICQGZ-LBPRGKRZSA-N 2 2 235.375 1.965 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000853248328 588728891 /nfs/dbraw/zinc/72/88/91/588728891.db2.gz DEJHVWVLEKNSPH-SECBINFHSA-N 2 2 224.304 1.098 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248765 588729223 /nfs/dbraw/zinc/72/92/23/588729223.db2.gz YTDXKCVKICQMJO-VXGBXAGGSA-N 2 2 238.306 1.572 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248765 588729224 /nfs/dbraw/zinc/72/92/24/588729224.db2.gz YTDXKCVKICQMJO-VXGBXAGGSA-N 2 2 238.306 1.572 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854232471 588781632 /nfs/dbraw/zinc/78/16/32/588781632.db2.gz QUBXYVCTTFBWAG-MWLCHTKSSA-N 2 2 220.316 1.577 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484854 583992325 /nfs/dbraw/zinc/99/23/25/583992325.db2.gz NYUXJVCBLDKPRW-DGCLKSJQSA-N 2 2 234.343 1.931 20 10 BDCDLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040919 584116944 /nfs/dbraw/zinc/11/69/44/584116944.db2.gz COBYQWHBZIHSHT-ZLDLUXBVSA-N 2 2 247.386 1.998 20 10 BDCDLP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2)c(O)c1 ZINC000841045418 584122209 /nfs/dbraw/zinc/12/22/09/584122209.db2.gz URSGMHLZNPNYPD-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000903964818 584834757 /nfs/dbraw/zinc/83/47/57/584834757.db2.gz WLYSJNIGXMSIBM-LDYMZIIASA-N 2 2 224.279 1.229 20 10 BDCDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817972238 584993649 /nfs/dbraw/zinc/99/36/49/584993649.db2.gz KLTCAIXGKILTEB-YUMQZZPRSA-N 2 2 212.268 1.529 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000756116795 585314537 /nfs/dbraw/zinc/31/45/37/585314537.db2.gz BSCWCEZCRONIAR-AWEZNQCLSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000756116795 585314538 /nfs/dbraw/zinc/31/45/38/585314538.db2.gz BSCWCEZCRONIAR-AWEZNQCLSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000843051901 585331155 /nfs/dbraw/zinc/33/11/55/585331155.db2.gz MFZLYNZXLHRZJN-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000843051901 585331156 /nfs/dbraw/zinc/33/11/56/585331156.db2.gz MFZLYNZXLHRZJN-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP CC[C@H]([NH2+]CC[NH3+])c1ccc(N(C)C)cc1 ZINC000817934249 586843372 /nfs/dbraw/zinc/84/33/72/586843372.db2.gz DWIHTKAOLIIZTG-ZDUSSCGKSA-N 2 2 221.348 1.752 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945300 586845862 /nfs/dbraw/zinc/84/58/62/586845862.db2.gz ZBPSFXMPMBJCFF-PSASIEDQSA-N 2 2 224.279 1.544 20 10 BDCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817944587 586846650 /nfs/dbraw/zinc/84/66/50/586846650.db2.gz HGRSXBNSDIXAFX-WDEREUQCSA-N 2 2 220.316 1.713 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817951896 586847571 /nfs/dbraw/zinc/84/75/71/586847571.db2.gz KXWSLDUBVBZABI-SNVBAGLBSA-N 2 2 238.331 1.661 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952592 586847754 /nfs/dbraw/zinc/84/77/54/586847754.db2.gz RULDXIWTMGXGDA-WCBMZHEXSA-N 2 2 238.306 1.889 20 10 BDCDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1O ZINC000817953726 586848756 /nfs/dbraw/zinc/84/87/56/586848756.db2.gz PSSRKVNLRZYDJQ-JTQLQIEISA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1O ZINC000817953727 586849290 /nfs/dbraw/zinc/84/92/90/586849290.db2.gz PSSRKVNLRZYDJQ-SNVBAGLBSA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817966283 586855068 /nfs/dbraw/zinc/85/50/68/586855068.db2.gz KHDXHVNKKFDADO-SFYZADRCSA-N 2 2 212.268 1.529 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841037320 587935045 /nfs/dbraw/zinc/93/50/45/587935045.db2.gz YJJALRUMJRSOLK-UHFFFAOYSA-N 2 2 208.305 1.318 20 10 BDCDLP CC[NH2+]CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841036658 587937448 /nfs/dbraw/zinc/93/74/48/587937448.db2.gz UYDOKHRSJAQWSV-WAYWQWQTSA-N 2 2 247.386 1.965 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841036716 587937864 /nfs/dbraw/zinc/93/78/64/587937864.db2.gz WGRBEZAYUHWODN-NSHDSACASA-N 2 2 240.734 1.887 20 10 BDCDLP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000841045486 587939155 /nfs/dbraw/zinc/93/91/55/587939155.db2.gz WJEULSHDCWYREH-RDFMZFSFSA-N 2 2 245.370 1.717 20 10 BDCDLP COc1cccc(O)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043053 587939279 /nfs/dbraw/zinc/93/92/79/587939279.db2.gz NMWFCPACTATEMC-JTQLQIEISA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057607 587940522 /nfs/dbraw/zinc/94/05/22/587940522.db2.gz ASTHZKSTMQGGJD-GXFFZTMASA-N 2 2 234.343 1.788 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841064321 587941403 /nfs/dbraw/zinc/94/14/03/587941403.db2.gz AQXKFGNMAOQVBK-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1O ZINC000841071340 587942349 /nfs/dbraw/zinc/94/23/49/587942349.db2.gz DIWCNMZYVQXFEE-VIFPVBQESA-N 2 2 228.723 1.873 20 10 BDCDLP Oc1c(F)cccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841090366 587945809 /nfs/dbraw/zinc/94/58/09/587945809.db2.gz OJOXDCDMPDOOBK-NSHDSACASA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)CC[NH3+] ZINC000841101220 587946743 /nfs/dbraw/zinc/94/67/43/587946743.db2.gz SFALYGUUMOIFCF-UHFFFAOYSA-N 2 2 221.348 1.452 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC[NH3+] ZINC000841101220 587946745 /nfs/dbraw/zinc/94/67/45/587946745.db2.gz SFALYGUUMOIFCF-UHFFFAOYSA-N 2 2 221.348 1.452 20 10 BDCDLP CCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])c(O)c1 ZINC000843051474 588077229 /nfs/dbraw/zinc/07/72/29/588077229.db2.gz JCJWSNPWPBXJRQ-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])c(O)c1 ZINC000843051474 588077231 /nfs/dbraw/zinc/07/72/31/588077231.db2.gz JCJWSNPWPBXJRQ-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000863483596 589293071 /nfs/dbraw/zinc/29/30/71/589293071.db2.gz OGNCMAGOXKGNJO-LSDHHAIUSA-N 2 2 247.386 1.983 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)C)c(F)c1 ZINC000863645402 589307000 /nfs/dbraw/zinc/30/70/00/589307000.db2.gz VSHHLODOUUABNL-UHFFFAOYSA-N 2 2 239.338 1.672 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)C)c(F)c1 ZINC000863645402 589307001 /nfs/dbraw/zinc/30/70/01/589307001.db2.gz VSHHLODOUUABNL-UHFFFAOYSA-N 2 2 239.338 1.672 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000863652441 589307402 /nfs/dbraw/zinc/30/74/02/589307402.db2.gz SYBRAKCPAHUUCB-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000863652441 589307404 /nfs/dbraw/zinc/30/74/04/589307404.db2.gz SYBRAKCPAHUUCB-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863651639 589307763 /nfs/dbraw/zinc/30/77/63/589307763.db2.gz CTVRMNWBFVDQNN-SWLSCSKDSA-N 2 2 247.386 1.901 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000877019457 590269913 /nfs/dbraw/zinc/26/99/13/590269913.db2.gz MQGXBXRWLOEXRE-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(O)c1 ZINC000877019457 590269914 /nfs/dbraw/zinc/26/99/14/590269914.db2.gz MQGXBXRWLOEXRE-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000906517327 638186943 /nfs/dbraw/zinc/18/69/43/638186943.db2.gz MSVSEAHMEDXRNJ-KYZUINATSA-N 2 2 226.707 1.625 20 10 BDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817984034 644995081 /nfs/dbraw/zinc/99/50/81/644995081.db2.gz VCIKIOFLHGPVRD-QWRGUYRKSA-N 2 2 236.315 1.031 20 10 BDCDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874336 966806496 /nfs/dbraw/zinc/80/64/96/966806496.db2.gz UGIACGDVAHYGSB-UHFFFAOYSA-N 2 2 238.331 1.481 20 10 BDCDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC000405742129 971299772 /nfs/dbraw/zinc/29/97/72/971299772.db2.gz PQRAOCSKBNKAPN-LBPRGKRZSA-N 2 2 222.288 1.021 20 10 BDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC000405742129 971299781 /nfs/dbraw/zinc/29/97/81/971299781.db2.gz PQRAOCSKBNKAPN-LBPRGKRZSA-N 2 2 222.288 1.021 20 10 BDCDLP COc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1O ZINC000405872023 971314736 /nfs/dbraw/zinc/31/47/36/971314736.db2.gz IDLUJSCGTGWQLT-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1O ZINC000405872023 971314740 /nfs/dbraw/zinc/31/47/40/971314740.db2.gz IDLUJSCGTGWQLT-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001236246716 966319076 /nfs/dbraw/zinc/31/90/76/966319076.db2.gz HMOJNDSJKIJZMU-SNVBAGLBSA-N 2 2 222.288 1.021 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001236246716 966319087 /nfs/dbraw/zinc/31/90/87/966319087.db2.gz HMOJNDSJKIJZMU-SNVBAGLBSA-N 2 2 222.288 1.021 20 10 BDCDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874336 966806489 /nfs/dbraw/zinc/80/64/89/966806489.db2.gz UGIACGDVAHYGSB-UHFFFAOYSA-N 2 2 238.331 1.481 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206065462 968035217 /nfs/dbraw/zinc/03/52/17/968035217.db2.gz WSYLHSHCBUKNEV-LDYMZIIASA-N 2 2 236.315 1.185 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206065462 968035227 /nfs/dbraw/zinc/03/52/27/968035227.db2.gz WSYLHSHCBUKNEV-LDYMZIIASA-N 2 2 236.315 1.185 20 10 BDCDLP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236171995 979431086 /nfs/dbraw/zinc/43/10/86/979431086.db2.gz AORQIRYNNMUMRP-JTQLQIEISA-N 2 2 236.315 1.242 20 10 BDCDLP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236171995 979431095 /nfs/dbraw/zinc/43/10/95/979431095.db2.gz AORQIRYNNMUMRP-JTQLQIEISA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172668 979431469 /nfs/dbraw/zinc/43/14/69/979431469.db2.gz JHWTYTVVXQNGRT-LLVKDONJSA-N 2 2 220.316 1.542 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172668 979431480 /nfs/dbraw/zinc/43/14/80/979431480.db2.gz JHWTYTVVXQNGRT-LLVKDONJSA-N 2 2 220.316 1.542 20 10 BDCDLP Nc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001352788101 982575766 /nfs/dbraw/zinc/57/57/66/982575766.db2.gz CAGZMZICBHPBFE-KBPBESRZSA-N 2 2 231.343 1.643 20 10 BDCDLP Nc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001352788103 982579298 /nfs/dbraw/zinc/57/92/98/982579298.db2.gz CAGZMZICBHPBFE-UONOGXRCSA-N 2 2 231.343 1.643 20 10 BDCDLP Cc1cccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c1O ZINC001276079696 984811861 /nfs/dbraw/zinc/81/18/61/984811861.db2.gz DOCFFFPSIFYNLD-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP Cc1cccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c1O ZINC001276079696 984811862 /nfs/dbraw/zinc/81/18/62/984811862.db2.gz DOCFFFPSIFYNLD-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC001579697142 986185719 /nfs/dbraw/zinc/18/57/19/986185719.db2.gz YWUGELWOHCTIQD-DGCLKSJQSA-N 2 2 234.343 1.931 20 10 BDCDLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001579692204 986186965 /nfs/dbraw/zinc/18/69/65/986186965.db2.gz USNSLTALYKVTRR-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001579692204 986187003 /nfs/dbraw/zinc/18/70/03/986187003.db2.gz USNSLTALYKVTRR-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001246341617 987751894 /nfs/dbraw/zinc/75/18/94/987751894.db2.gz BEZQVAISZTZMDI-GFCCVEGCSA-N 2 2 234.343 1.851 20 10 BDCDLP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000271767142 179084011 /nfs/dbraw/zinc/08/40/11/179084011.db2.gz FPQSFISNFALATI-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000271767142 179084013 /nfs/dbraw/zinc/08/40/13/179084013.db2.gz FPQSFISNFALATI-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP COc1cccc(O)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853245782 588728331 /nfs/dbraw/zinc/72/83/31/588728331.db2.gz CSJOFHIXXLOSLD-UHFFFAOYSA-N 2 2 248.326 1.242 20 10 BDCDLP CN(C)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853247357 588728887 /nfs/dbraw/zinc/72/88/87/588728887.db2.gz MSGXTHAEVROJIZ-UHFFFAOYSA-N 2 2 245.370 1.594 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000854231721 583083051 /nfs/dbraw/zinc/08/30/51/583083051.db2.gz KSAWDYFCXHIHRK-SFYZADRCSA-N 2 2 244.285 1.929 20 10 BDCDLP CCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC000863650775 583994727 /nfs/dbraw/zinc/99/47/27/583994727.db2.gz AAJINOMYKIDOOM-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC000863650775 583994730 /nfs/dbraw/zinc/99/47/30/583994730.db2.gz AAJINOMYKIDOOM-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841059553 584126228 /nfs/dbraw/zinc/12/62/28/584126228.db2.gz UJYDYXAGSDGXKZ-WCQYABFASA-N 2 2 234.343 1.788 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000903960729 584828078 /nfs/dbraw/zinc/82/80/78/584828078.db2.gz WYMYPIJTSLZZSP-LDYMZIIASA-N 2 2 240.734 1.743 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000903964322 584834038 /nfs/dbraw/zinc/83/40/38/584834038.db2.gz MVDDOGZICHXVSI-LDYMZIIASA-N 2 2 240.734 1.743 20 10 BDCDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945167 584991890 /nfs/dbraw/zinc/99/18/90/584991890.db2.gz WARRLEVCSNVKJT-ZYHUDNBSSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)ccc1O ZINC000817959294 584992520 /nfs/dbraw/zinc/99/25/20/584992520.db2.gz FJIHXJJFTGQVFB-PELKAZGASA-N 2 2 238.306 1.919 20 10 BDCDLP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817940459 586845467 /nfs/dbraw/zinc/84/54/67/586845467.db2.gz MTAXKBGKAVSHKL-MRVPVSSYSA-N 2 2 244.285 1.931 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944414 586846113 /nfs/dbraw/zinc/84/61/13/586846113.db2.gz BHAQGXOCSNXNLP-YPMHNXCESA-N 2 2 233.359 1.765 20 10 BDCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945073 586846307 /nfs/dbraw/zinc/84/63/07/586846307.db2.gz SPMLADFWIXWHQA-WPRPVWTQSA-N 2 2 224.279 1.544 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817952899 586848604 /nfs/dbraw/zinc/84/86/04/586848604.db2.gz WJXKDRLBUOOZIN-QMMMGPOBSA-N 2 2 212.268 1.401 20 10 BDCDLP C[NH2+]CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841034603 587937314 /nfs/dbraw/zinc/93/73/14/587937314.db2.gz APZPGRQTPNNAGL-PLNGDYQASA-N 2 2 233.359 1.575 20 10 BDCDLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000841044685 587939151 /nfs/dbraw/zinc/93/91/51/587939151.db2.gz GATVGFGPIIUMQX-NSHDSACASA-N 2 2 240.734 1.806 20 10 BDCDLP C[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1O ZINC000841059580 587940582 /nfs/dbraw/zinc/94/05/82/587940582.db2.gz GDVWGDWBEOWAGN-SSDOTTSWSA-N 2 2 214.696 1.482 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059397 587940618 /nfs/dbraw/zinc/94/06/18/587940618.db2.gz RMGNIIKWWRGANC-WFASDCNBSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057606 587940766 /nfs/dbraw/zinc/94/07/66/587940766.db2.gz ASTHZKSTMQGGJD-GWCFXTLKSA-N 2 2 234.343 1.788 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000841065757 587942737 /nfs/dbraw/zinc/94/27/37/587942737.db2.gz MQYZKUVCKMSDBE-SECBINFHSA-N 2 2 226.295 1.619 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@H+](C)CC[NH3+])cc1 ZINC000841101263 587946480 /nfs/dbraw/zinc/94/64/80/587946480.db2.gz UUMJYAJSFQTPJI-PLNGDYQASA-N 2 2 233.359 1.656 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@@H+](C)CC[NH3+])cc1 ZINC000841101263 587946482 /nfs/dbraw/zinc/94/64/82/587946482.db2.gz UUMJYAJSFQTPJI-PLNGDYQASA-N 2 2 233.359 1.656 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000843045533 588075639 /nfs/dbraw/zinc/07/56/39/588075639.db2.gz UQGAISSCKZLGHR-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000843045533 588075641 /nfs/dbraw/zinc/07/56/41/588075641.db2.gz UQGAISSCKZLGHR-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP Oc1c(Cl)cccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000843044756 588075710 /nfs/dbraw/zinc/07/57/10/588075710.db2.gz IDWSFAZGLFJYDC-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP Oc1c(Cl)cccc1C[N@H+]1CCC[NH2+]CC1 ZINC000843044756 588075712 /nfs/dbraw/zinc/07/57/12/588075712.db2.gz IDWSFAZGLFJYDC-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000843045495 588075726 /nfs/dbraw/zinc/07/57/26/588075726.db2.gz SLXCPEWBBIGBBS-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000843045495 588075728 /nfs/dbraw/zinc/07/57/28/588075728.db2.gz SLXCPEWBBIGBBS-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(N(C)CC[N@H+](C)CC[NH3+])cc1 ZINC000846225304 588261669 /nfs/dbraw/zinc/26/16/69/588261669.db2.gz LFSCQQCXROSLLG-UHFFFAOYSA-N 2 2 237.347 1.022 20 10 BDCDLP COc1ccc(N(C)CC[N@@H+](C)CC[NH3+])cc1 ZINC000846225304 588261670 /nfs/dbraw/zinc/26/16/70/588261670.db2.gz LFSCQQCXROSLLG-UHFFFAOYSA-N 2 2 237.347 1.022 20 10 BDCDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000846701862 588283717 /nfs/dbraw/zinc/28/37/17/588283717.db2.gz DUANCMORAXKYFR-ONGXEEELSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000846701862 588283718 /nfs/dbraw/zinc/28/37/18/588283718.db2.gz DUANCMORAXKYFR-ONGXEEELSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C[NH2+]1 ZINC000863485159 589293372 /nfs/dbraw/zinc/29/33/72/589293372.db2.gz VOQLEKYPDSZJMO-KOLCDFICSA-N 2 2 238.306 1.761 20 10 BDCDLP C[N@H+](C[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556567 589298821 /nfs/dbraw/zinc/29/88/21/589298821.db2.gz UJEIYBCKGXROGI-SNVBAGLBSA-N 2 2 205.305 1.315 20 10 BDCDLP C[N@@H+](C[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556567 589298823 /nfs/dbraw/zinc/29/88/23/589298823.db2.gz UJEIYBCKGXROGI-SNVBAGLBSA-N 2 2 205.305 1.315 20 10 BDCDLP Cc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC000863651447 589306995 /nfs/dbraw/zinc/30/69/95/589306995.db2.gz JBBABRCXAWJANJ-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC000863651447 589306996 /nfs/dbraw/zinc/30/69/96/589306996.db2.gz JBBABRCXAWJANJ-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP C[N@H+](Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204014 589994485 /nfs/dbraw/zinc/99/44/85/589994485.db2.gz WMWBUIPYQXAVQJ-UHFFFAOYSA-N 2 2 232.327 1.576 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204014 589994486 /nfs/dbraw/zinc/99/44/86/589994486.db2.gz WMWBUIPYQXAVQJ-UHFFFAOYSA-N 2 2 232.327 1.576 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922079 634400444 /nfs/dbraw/zinc/40/04/44/634400444.db2.gz RJRHIQPTQNDXME-WCQYABFASA-N 2 2 232.327 1.576 20 10 BDCDLP Oc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922079 634400446 /nfs/dbraw/zinc/40/04/46/634400446.db2.gz RJRHIQPTQNDXME-WCQYABFASA-N 2 2 232.327 1.576 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000309054495 632630978 /nfs/dbraw/zinc/63/09/78/632630978.db2.gz SCFWGULZULCIJU-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(O)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000309054495 632630980 /nfs/dbraw/zinc/63/09/80/632630980.db2.gz SCFWGULZULCIJU-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043324903 638253780 /nfs/dbraw/zinc/25/37/80/638253780.db2.gz BXCPTGRAJZHBGQ-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000070955772 643087254 /nfs/dbraw/zinc/08/72/54/643087254.db2.gz UVPIYEPCWUUVER-LBPRGKRZSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000070955772 643087259 /nfs/dbraw/zinc/08/72/59/643087259.db2.gz UVPIYEPCWUUVER-LBPRGKRZSA-N 2 2 220.316 1.624 20 10 BDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817984032 644994142 /nfs/dbraw/zinc/99/41/42/644994142.db2.gz VCIKIOFLHGPVRD-GHMZBOCLSA-N 2 2 236.315 1.031 20 10 BDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817984035 644994198 /nfs/dbraw/zinc/99/41/98/644994198.db2.gz VCIKIOFLHGPVRD-WDEREUQCSA-N 2 2 236.315 1.031 20 10 BDCDLP Nc1ccc(Nc2cccc(CC[NH3+])c2)[nH+]c1 ZINC001161076864 964512954 /nfs/dbraw/zinc/51/29/54/964512954.db2.gz BZCHBGPTAMXKKX-UHFFFAOYSA-N 2 2 228.299 1.909 20 10 BDCDLP COc1ccc(O)c(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206712146 966259020 /nfs/dbraw/zinc/25/90/20/966259020.db2.gz SWMAKTRJZMMKES-UHFFFAOYSA-N 2 2 236.315 1.181 20 10 BDCDLP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236174429 966301087 /nfs/dbraw/zinc/30/10/87/966301087.db2.gz QJLRTZHODCKWIN-LBPRGKRZSA-N 2 2 220.316 1.488 20 10 BDCDLP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236174429 966301089 /nfs/dbraw/zinc/30/10/89/966301089.db2.gz QJLRTZHODCKWIN-LBPRGKRZSA-N 2 2 220.316 1.488 20 10 BDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001335288432 976927638 /nfs/dbraw/zinc/92/76/38/976927638.db2.gz FVNJPZYTAHVBET-GFCCVEGCSA-N 2 2 219.332 1.499 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981899 979261328 /nfs/dbraw/zinc/26/13/28/979261328.db2.gz SNWJDUQPCBVJEQ-BXUZGUMPSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981899 979261336 /nfs/dbraw/zinc/26/13/36/979261336.db2.gz SNWJDUQPCBVJEQ-BXUZGUMPSA-N 2 2 248.326 1.324 20 10 BDCDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001235991233 979278274 /nfs/dbraw/zinc/27/82/74/979278274.db2.gz KSLPVTZRHNSMLL-MFKMUULPSA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001235991233 979278290 /nfs/dbraw/zinc/27/82/90/979278290.db2.gz KSLPVTZRHNSMLL-MFKMUULPSA-N 2 2 234.299 1.021 20 10 BDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757805 /nfs/dbraw/zinc/75/78/05/979757805.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757806 /nfs/dbraw/zinc/75/78/06/979757806.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757812 /nfs/dbraw/zinc/75/78/12/979757812.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757816 /nfs/dbraw/zinc/75/78/16/979757816.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858807 988590403 /nfs/dbraw/zinc/59/04/03/988590403.db2.gz BWWFLEYWTIASJP-WCQYABFASA-N 2 2 234.343 1.965 20 10 BDCDLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858807 988590419 /nfs/dbraw/zinc/59/04/19/988590419.db2.gz BWWFLEYWTIASJP-WCQYABFASA-N 2 2 234.343 1.965 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811731 411314864 /nfs/dbraw/zinc/31/48/64/411314864.db2.gz MVBLCUFGRLZEMT-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811731 411314866 /nfs/dbraw/zinc/31/48/66/411314866.db2.gz MVBLCUFGRLZEMT-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000163759252 173056034 /nfs/dbraw/zinc/05/60/34/173056034.db2.gz QCBLHTHXXQCFSM-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000163759252 173056036 /nfs/dbraw/zinc/05/60/36/173056036.db2.gz QCBLHTHXXQCFSM-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1C ZINC000042545920 175112124 /nfs/dbraw/zinc/11/21/24/175112124.db2.gz KLABIGYMNDUEKP-ZDUSSCGKSA-N 2 2 234.343 1.797 20 10 BDCDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1C ZINC000042545920 175112126 /nfs/dbraw/zinc/11/21/26/175112126.db2.gz KLABIGYMNDUEKP-ZDUSSCGKSA-N 2 2 234.343 1.797 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000853248711 588728924 /nfs/dbraw/zinc/72/89/24/588728924.db2.gz IUIPPLPXHQUSHD-GFUIURDCSA-N 2 2 247.386 1.963 20 10 BDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219836431 585149648 /nfs/dbraw/zinc/14/96/48/585149648.db2.gz IEILJIJOVPAZBY-SNVBAGLBSA-N 2 2 210.252 1.064 20 10 BDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219836431 585149649 /nfs/dbraw/zinc/14/96/49/585149649.db2.gz IEILJIJOVPAZBY-SNVBAGLBSA-N 2 2 210.252 1.064 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000843051907 585331421 /nfs/dbraw/zinc/33/14/21/585331421.db2.gz MFZLYNZXLHRZJN-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000843051907 585331422 /nfs/dbraw/zinc/33/14/22/585331422.db2.gz MFZLYNZXLHRZJN-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000817941956 586845255 /nfs/dbraw/zinc/84/52/55/586845255.db2.gz USIHIAPPXGQHCV-VXGBXAGGSA-N 2 2 232.327 1.721 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942129 586845694 /nfs/dbraw/zinc/84/56/94/586845694.db2.gz XADDSTHUDCLDOS-KOLCDFICSA-N 2 2 238.306 1.934 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000817944609 586845877 /nfs/dbraw/zinc/84/58/77/586845877.db2.gz IAOHRXDULMPLMM-QWRGUYRKSA-N 2 2 218.300 1.331 20 10 BDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000817944712 586845965 /nfs/dbraw/zinc/84/59/65/586845965.db2.gz KCWUSYLFTCGDRP-UWVGGRQHSA-N 2 2 236.315 1.413 20 10 BDCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000817944781 586846477 /nfs/dbraw/zinc/84/64/77/586846477.db2.gz LRCLZLLCIOMEPU-WDEREUQCSA-N 2 2 220.316 1.713 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817952810 586848549 /nfs/dbraw/zinc/84/85/49/586848549.db2.gz UFYPZYLYJSGDOK-QMMMGPOBSA-N 2 2 244.285 1.931 20 10 BDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817965931 586854770 /nfs/dbraw/zinc/85/47/70/586854770.db2.gz XCTLLZKVBKZMII-QPUJVOFHSA-N 2 2 238.306 1.919 20 10 BDCDLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817974170 586860273 /nfs/dbraw/zinc/86/02/73/586860273.db2.gz ZXGLGKUJQDQNIF-GZMMTYOYSA-N 2 2 226.295 1.919 20 10 BDCDLP [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000841029676 587936183 /nfs/dbraw/zinc/93/61/83/587936183.db2.gz YDXTWMFSLHUHNI-LLVKDONJSA-N 2 2 240.734 1.873 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cccc(OC)c1O ZINC000841046612 587938998 /nfs/dbraw/zinc/93/89/98/587938998.db2.gz JIPHYEAEAJZYNN-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044805 587939474 /nfs/dbraw/zinc/93/94/74/587939474.db2.gz INKGFHOXZKRBPV-QMMMGPOBSA-N 2 2 226.707 1.497 20 10 BDCDLP [NH3+][C@@H](C[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000841048559 587940248 /nfs/dbraw/zinc/94/02/48/587940248.db2.gz FDFREPAAMTYVFJ-NSHDSACASA-N 2 2 224.279 1.358 20 10 BDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841086077 587946077 /nfs/dbraw/zinc/94/60/77/587946077.db2.gz LTIUWEVYQAPQQJ-GFCCVEGCSA-N 2 2 238.306 1.761 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105312 587946792 /nfs/dbraw/zinc/94/67/92/587946792.db2.gz KFFISEFLZSBNEY-AWEZNQCLSA-N 2 2 232.327 1.720 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105312 587946794 /nfs/dbraw/zinc/94/67/94/587946794.db2.gz KFFISEFLZSBNEY-AWEZNQCLSA-N 2 2 232.327 1.720 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000843049586 588076756 /nfs/dbraw/zinc/07/67/56/588076756.db2.gz RQOVUHLAWGIXCM-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000843049586 588076757 /nfs/dbraw/zinc/07/67/57/588076757.db2.gz RQOVUHLAWGIXCM-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843116306 588082669 /nfs/dbraw/zinc/08/26/69/588082669.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 2 2 238.306 1.702 20 10 BDCDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843116306 588082671 /nfs/dbraw/zinc/08/26/71/588082671.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 2 2 238.306 1.702 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863652771 589307545 /nfs/dbraw/zinc/30/75/45/589307545.db2.gz WZCQZQPXAGDPGT-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863652771 589307546 /nfs/dbraw/zinc/30/75/46/589307546.db2.gz WZCQZQPXAGDPGT-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000309054496 632631497 /nfs/dbraw/zinc/63/14/97/632631497.db2.gz SCFWGULZULCIJU-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(O)c(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000309054496 632631499 /nfs/dbraw/zinc/63/14/99/632631499.db2.gz SCFWGULZULCIJU-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000904449882 637414773 /nfs/dbraw/zinc/41/47/73/637414773.db2.gz MMOVWTDOHQDACO-UHFFFAOYSA-N 2 2 226.707 1.627 20 10 BDCDLP Cc1cc(O)c(C[NH2+]CC2([NH3+])CC2)c(Cl)c1 ZINC000904445586 637415185 /nfs/dbraw/zinc/41/51/85/637415185.db2.gz XIFMKYFSJXZTBX-UHFFFAOYSA-N 2 2 240.734 1.935 20 10 BDCDLP CN(C)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063260 641540869 /nfs/dbraw/zinc/54/08/69/641540869.db2.gz RFOSBOZCONOITI-UHFFFAOYSA-N 2 2 244.342 1.739 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000017 711742707 /nfs/dbraw/zinc/74/27/07/711742707.db2.gz BPPGBQOCPDANQL-GXTWGEPZSA-N 2 2 247.386 1.983 20 10 BDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC[NH3+])c1 ZINC000037712457 712744607 /nfs/dbraw/zinc/74/46/07/712744607.db2.gz FHIYHFGNJWNNRJ-MRVPVSSYSA-N 2 2 210.277 1.010 20 10 BDCDLP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236025878 966243733 /nfs/dbraw/zinc/24/37/33/966243733.db2.gz MQLAZCUNHDMXJT-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236025878 966243742 /nfs/dbraw/zinc/24/37/42/966243742.db2.gz MQLAZCUNHDMXJT-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP COc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1O ZINC000383002064 966898046 /nfs/dbraw/zinc/89/80/46/966898046.db2.gz VHTSFIKQYYLDDL-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1O ZINC000383002064 966898050 /nfs/dbraw/zinc/89/80/50/966898050.db2.gz VHTSFIKQYYLDDL-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(O)cc1O ZINC001205064484 967322896 /nfs/dbraw/zinc/32/28/96/967322896.db2.gz QBFQXJWONQCLSA-ONGXEEELSA-N 2 2 236.315 1.409 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(O)cc1O ZINC001205064484 967322910 /nfs/dbraw/zinc/32/29/10/967322910.db2.gz QBFQXJWONQCLSA-ONGXEEELSA-N 2 2 236.315 1.409 20 10 BDCDLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871292 973263260 /nfs/dbraw/zinc/26/32/60/973263260.db2.gz YWGLXFMBTHVDJX-DGCLKSJQSA-N 2 2 246.354 1.891 20 10 BDCDLP C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871292 973263280 /nfs/dbraw/zinc/26/32/80/973263280.db2.gz YWGLXFMBTHVDJX-DGCLKSJQSA-N 2 2 246.354 1.891 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981900 979259965 /nfs/dbraw/zinc/25/99/65/979259965.db2.gz SNWJDUQPCBVJEQ-FZMZJTMJSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981900 979259970 /nfs/dbraw/zinc/25/99/70/979259970.db2.gz SNWJDUQPCBVJEQ-FZMZJTMJSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981708 979260049 /nfs/dbraw/zinc/26/00/49/979260049.db2.gz SACUFKFPBQGXAG-BXUZGUMPSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981708 979260058 /nfs/dbraw/zinc/26/00/58/979260058.db2.gz SACUFKFPBQGXAG-BXUZGUMPSA-N 2 2 248.326 1.324 20 10 BDCDLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236418398 979592696 /nfs/dbraw/zinc/59/26/96/979592696.db2.gz HIUANSAPKQHXJR-MFKMUULPSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001236418398 979592705 /nfs/dbraw/zinc/59/27/05/979592705.db2.gz HIUANSAPKQHXJR-MFKMUULPSA-N 2 2 219.332 1.580 20 10 BDCDLP C[NH2+]CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC001578691569 985292742 /nfs/dbraw/zinc/29/27/42/985292742.db2.gz QHPFZQJCFOEHEX-UHFFFAOYSA-N 2 2 230.258 1.370 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000853248329 588729101 /nfs/dbraw/zinc/72/91/01/588729101.db2.gz DEJHVWVLEKNSPH-VIFPVBQESA-N 2 2 224.304 1.098 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000854232738 588781375 /nfs/dbraw/zinc/78/13/75/588781375.db2.gz SKNSDZOCPDTFDI-WDEREUQCSA-N 2 2 222.332 1.959 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000854231698 588781386 /nfs/dbraw/zinc/78/13/86/588781386.db2.gz JYUAWASRADADPQ-BDAKNGLRSA-N 2 2 226.295 1.790 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000854231374 588781647 /nfs/dbraw/zinc/78/16/47/588781647.db2.gz GSKJPQUSAUWNCD-UWVGGRQHSA-N 2 2 238.331 1.659 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841059550 584126266 /nfs/dbraw/zinc/12/62/66/584126266.db2.gz UJYDYXAGSDGXKZ-AAEUAGOBSA-N 2 2 234.343 1.788 20 10 BDCDLP COc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903960257 584827496 /nfs/dbraw/zinc/82/74/96/584827496.db2.gz BAZYATRGGXNKFJ-MWLCHTKSSA-N 2 2 236.315 1.098 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903963840 584833313 /nfs/dbraw/zinc/83/33/13/584833313.db2.gz HLIUDMRHBMTVCM-ZYHUDNBSSA-N 2 2 220.316 1.398 20 10 BDCDLP CC1(C)C[N@H+](Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC000903986516 584835738 /nfs/dbraw/zinc/83/57/38/584835738.db2.gz LICCMNNNPGPLEK-NSHDSACASA-N 2 2 238.306 1.700 20 10 BDCDLP CC1(C)C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC000903986516 584835739 /nfs/dbraw/zinc/83/57/39/584835739.db2.gz LICCMNNNPGPLEK-NSHDSACASA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@@H]1C[C@H]([NH2+]CC[NH3+])c2c1c(F)ccc2O ZINC000817935450 586843245 /nfs/dbraw/zinc/84/32/45/586843245.db2.gz WERXVXVPVNSXCG-APPZFPTMSA-N 2 2 224.279 1.628 20 10 BDCDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940482 586845437 /nfs/dbraw/zinc/84/54/37/586845437.db2.gz ICLBGZVTQSBFHF-ONGXEEELSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944565 586845945 /nfs/dbraw/zinc/84/59/45/586845945.db2.gz GZWQSMVUSHXFHV-ZJUUUORDSA-N 2 2 206.289 1.405 20 10 BDCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944563 586846224 /nfs/dbraw/zinc/84/62/24/586846224.db2.gz GZWQSMVUSHXFHV-UWVGGRQHSA-N 2 2 206.289 1.405 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817969607 586856012 /nfs/dbraw/zinc/85/60/12/586856012.db2.gz FADKZQPUNAYFNI-JGVFFNPUSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817972764 586858676 /nfs/dbraw/zinc/85/86/76/586858676.db2.gz OIOFJEYESTZWBM-YUMQZZPRSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H](C)[NH3+] ZINC000817977119 586860867 /nfs/dbraw/zinc/86/08/67/586860867.db2.gz BQNXHWPDZLZDLP-YIZRAAEISA-N 2 2 226.295 1.918 20 10 BDCDLP CC(C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041704 587938288 /nfs/dbraw/zinc/93/82/88/587938288.db2.gz AMAYAKCGEVCWRY-ZDUSSCGKSA-N 2 2 221.348 1.750 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841041673 587938599 /nfs/dbraw/zinc/93/85/99/587938599.db2.gz DIYYBWKVBKNBDE-LBPRGKRZSA-N 2 2 220.316 1.542 20 10 BDCDLP COCC[NH2+]CC[NH2+]Cc1cc(C)ccc1O ZINC000841048031 587938842 /nfs/dbraw/zinc/93/88/42/587938842.db2.gz KCCGELJIWHWMCE-UHFFFAOYSA-N 2 2 238.331 1.026 20 10 BDCDLP COCC[NH2+]CC[NH2+]Cc1cccc(C)c1O ZINC000841047491 587939169 /nfs/dbraw/zinc/93/91/69/587939169.db2.gz CNJHQJCHBKWSTH-UHFFFAOYSA-N 2 2 238.331 1.026 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044222 587939375 /nfs/dbraw/zinc/93/93/75/587939375.db2.gz BOAOGUSNEMZZIO-VIFPVBQESA-N 2 2 226.707 1.497 20 10 BDCDLP c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc2c1OCC2 ZINC000841091484 587946194 /nfs/dbraw/zinc/94/61/94/587946194.db2.gz YVVGPTXZNCDOIT-AWEZNQCLSA-N 2 2 246.354 1.853 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000843047379 588075732 /nfs/dbraw/zinc/07/57/32/588075732.db2.gz SLXCPEWBBIGBBS-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000843047379 588075733 /nfs/dbraw/zinc/07/57/33/588075733.db2.gz SLXCPEWBBIGBBS-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP Oc1ccccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055666 588077900 /nfs/dbraw/zinc/07/79/00/588077900.db2.gz MWANMJPRPMBPIP-ZDUSSCGKSA-N 2 2 232.327 1.719 20 10 BDCDLP Oc1ccccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055666 588077901 /nfs/dbraw/zinc/07/79/01/588077901.db2.gz MWANMJPRPMBPIP-ZDUSSCGKSA-N 2 2 232.327 1.719 20 10 BDCDLP COc1ccc(N2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000844222015 588174087 /nfs/dbraw/zinc/17/40/87/588174087.db2.gz QHZVNRNIFZMDAG-UHFFFAOYSA-N 2 2 249.358 1.166 20 10 BDCDLP COc1ccc(N2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000844222015 588174089 /nfs/dbraw/zinc/17/40/89/588174089.db2.gz QHZVNRNIFZMDAG-UHFFFAOYSA-N 2 2 249.358 1.166 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863483820 589293180 /nfs/dbraw/zinc/29/31/80/589293180.db2.gz DULUZDOYRXOHSY-AAEUAGOBSA-N 2 2 234.343 1.931 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485285 589293467 /nfs/dbraw/zinc/29/34/67/589293467.db2.gz YGKQRBACZSRZBS-FZMZJTMJSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000863487673 589293676 /nfs/dbraw/zinc/29/36/76/589293676.db2.gz TZMNJFMSDUGBKX-GZMMTYOYSA-N 2 2 224.279 1.371 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1O ZINC000863546806 589297685 /nfs/dbraw/zinc/29/76/85/589297685.db2.gz MOIVOXFOUZVUIE-HOTUBEGUSA-N 2 2 238.306 1.932 20 10 BDCDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1 ZINC000876743885 590236583 /nfs/dbraw/zinc/23/65/83/590236583.db2.gz KLKPLDCJNHFVNA-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Oc1ccc(F)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000219395258 592223939 /nfs/dbraw/zinc/22/39/39/592223939.db2.gz XQKYBEAAJDLBQD-UHFFFAOYSA-N 2 2 224.279 1.327 20 10 BDCDLP Oc1ccc(F)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000219395258 592223940 /nfs/dbraw/zinc/22/39/40/592223940.db2.gz XQKYBEAAJDLBQD-UHFFFAOYSA-N 2 2 224.279 1.327 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234265037 635551560 /nfs/dbraw/zinc/55/15/60/635551560.db2.gz GHFAYZIWMKDTNV-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000259018531 635233700 /nfs/dbraw/zinc/23/37/00/635233700.db2.gz YKFVJQIKIUESHB-CYBMUJFWSA-N 2 2 232.327 1.463 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cccc(OCC)c1O ZINC000841034585 636831206 /nfs/dbraw/zinc/83/12/06/636831206.db2.gz AEVZNDNTLYQRQI-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000070955775 643087619 /nfs/dbraw/zinc/08/76/19/643087619.db2.gz UVPIYEPCWUUVER-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000070955775 643087626 /nfs/dbraw/zinc/08/76/26/643087626.db2.gz UVPIYEPCWUUVER-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1N(C)C ZINC000923289048 644322364 /nfs/dbraw/zinc/32/23/64/644322364.db2.gz DISMOLTYOWTDFQ-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1N(C)C ZINC000923289048 644322372 /nfs/dbraw/zinc/32/23/72/644322372.db2.gz DISMOLTYOWTDFQ-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923366135 644379248 /nfs/dbraw/zinc/37/92/48/644379248.db2.gz JUERLLQJZJKZRZ-OCCSQVGLSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923366135 644379252 /nfs/dbraw/zinc/37/92/52/644379252.db2.gz JUERLLQJZJKZRZ-OCCSQVGLSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@H+](C)CC[NH3+])ccc1N(C)C ZINC000923379501 644390819 /nfs/dbraw/zinc/39/08/19/644390819.db2.gz QBEZZJINLRQCBJ-UHFFFAOYSA-N 2 2 221.348 1.452 20 10 BDCDLP Cc1cc(C[N@@H+](C)CC[NH3+])ccc1N(C)C ZINC000923379501 644390826 /nfs/dbraw/zinc/39/08/26/644390826.db2.gz QBEZZJINLRQCBJ-UHFFFAOYSA-N 2 2 221.348 1.452 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720765987 712864678 /nfs/dbraw/zinc/86/46/78/712864678.db2.gz FQYRTJCAYIEBEK-ZDUSSCGKSA-N 2 2 234.343 1.870 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720765987 712864679 /nfs/dbraw/zinc/86/46/79/712864679.db2.gz FQYRTJCAYIEBEK-ZDUSSCGKSA-N 2 2 234.343 1.870 20 10 BDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001204801191 963655920 /nfs/dbraw/zinc/65/59/20/963655920.db2.gz LCKUDWBRSVMLPD-LBPRGKRZSA-N 2 2 205.305 1.192 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)cc1 ZINC001205197653 967420969 /nfs/dbraw/zinc/42/09/69/967420969.db2.gz YDQPPRKXOWYEAJ-BXKDBHETSA-N 2 2 205.305 1.190 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)cc1 ZINC001205197653 967420983 /nfs/dbraw/zinc/42/09/83/967420983.db2.gz YDQPPRKXOWYEAJ-BXKDBHETSA-N 2 2 205.305 1.190 20 10 BDCDLP COc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC000405872022 971316236 /nfs/dbraw/zinc/31/62/36/971316236.db2.gz IDLUJSCGTGWQLT-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC000405872022 971316241 /nfs/dbraw/zinc/31/62/41/971316241.db2.gz IDLUJSCGTGWQLT-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001204801191 963655912 /nfs/dbraw/zinc/65/59/12/963655912.db2.gz LCKUDWBRSVMLPD-LBPRGKRZSA-N 2 2 205.305 1.192 20 10 BDCDLP Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236024881 966240189 /nfs/dbraw/zinc/24/01/89/966240189.db2.gz JSTRENNLUWTDNY-BXUZGUMPSA-N 2 2 232.327 1.542 20 10 BDCDLP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236024881 966240203 /nfs/dbraw/zinc/24/02/03/966240203.db2.gz JSTRENNLUWTDNY-BXUZGUMPSA-N 2 2 232.327 1.542 20 10 BDCDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236025850 966243217 /nfs/dbraw/zinc/24/32/17/966243217.db2.gz MQLAZCUNHDMXJT-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236025850 966243230 /nfs/dbraw/zinc/24/32/30/966243230.db2.gz MQLAZCUNHDMXJT-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c(O)cccc1F ZINC001205063811 967314335 /nfs/dbraw/zinc/31/43/35/967314335.db2.gz CBUNIBDCTIZRRF-UWVGGRQHSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c(O)cccc1F ZINC001205063811 967314344 /nfs/dbraw/zinc/31/43/44/967314344.db2.gz CBUNIBDCTIZRRF-UWVGGRQHSA-N 2 2 238.306 1.843 20 10 BDCDLP CC1(C)C[N@H+](Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001336287220 977620484 /nfs/dbraw/zinc/62/04/84/977620484.db2.gz YCYCNQZODAWTIU-LBPRGKRZSA-N 2 2 219.332 1.438 20 10 BDCDLP CC1(C)C[N@@H+](Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001336287220 977620488 /nfs/dbraw/zinc/62/04/88/977620488.db2.gz YCYCNQZODAWTIU-LBPRGKRZSA-N 2 2 219.332 1.438 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235045340 978962213 /nfs/dbraw/zinc/96/22/13/978962213.db2.gz SDNDQOBMIRXBLK-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235045340 978962217 /nfs/dbraw/zinc/96/22/17/978962217.db2.gz SDNDQOBMIRXBLK-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235075997 978968659 /nfs/dbraw/zinc/96/86/59/978968659.db2.gz SDNDQOBMIRXBLK-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235075997 978968665 /nfs/dbraw/zinc/96/86/65/978968665.db2.gz SDNDQOBMIRXBLK-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP CCc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236029526 979325682 /nfs/dbraw/zinc/32/56/82/979325682.db2.gz SSRXTUONKZFEOC-JSGCOSHPSA-N 2 2 232.327 1.488 20 10 BDCDLP CCc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236029526 979325694 /nfs/dbraw/zinc/32/56/94/979325694.db2.gz SSRXTUONKZFEOC-JSGCOSHPSA-N 2 2 232.327 1.488 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+]1CCc2cccc(O)c2C1 ZINC001236072556 979363533 /nfs/dbraw/zinc/36/35/33/979363533.db2.gz JNFQSQZHLORLHR-SECBINFHSA-N 2 2 206.289 1.098 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+]1CCc2cccc(O)c2C1 ZINC001236072556 979363542 /nfs/dbraw/zinc/36/35/42/979363542.db2.gz JNFQSQZHLORLHR-SECBINFHSA-N 2 2 206.289 1.098 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001579467399 985965113 /nfs/dbraw/zinc/96/51/13/985965113.db2.gz CAMXUKNYMZAMQT-LDYMZIIASA-N 2 2 240.734 1.743 20 10 BDCDLP Cc1cc(O)c(C[NH2+]CC2([NH3+])CC2)cc1Cl ZINC001579638069 986154332 /nfs/dbraw/zinc/15/43/32/986154332.db2.gz QEJLMLNMSLFNPV-UHFFFAOYSA-N 2 2 240.734 1.935 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000853248808 588728756 /nfs/dbraw/zinc/72/87/56/588728756.db2.gz KFTWFVRKFDDYTF-SNVBAGLBSA-N 2 2 208.305 1.398 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000854231097 588781649 /nfs/dbraw/zinc/78/16/49/588781649.db2.gz DTCFXQOFXRBPGM-BDAKNGLRSA-N 2 2 226.295 1.790 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000896554150 583811527 /nfs/dbraw/zinc/81/15/27/583811527.db2.gz HUTFHRYRMHGEJO-AAEUAGOBSA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000896554150 583811528 /nfs/dbraw/zinc/81/15/28/583811528.db2.gz HUTFHRYRMHGEJO-AAEUAGOBSA-N 2 2 234.343 1.883 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cccc(F)c1O ZINC000841046722 584124420 /nfs/dbraw/zinc/12/44/20/584124420.db2.gz LSAYTHXHWFDISR-UHFFFAOYSA-N 2 2 226.295 1.621 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1O ZINC000841059061 584125777 /nfs/dbraw/zinc/12/57/77/584125777.db2.gz LHRFRMQUBYLLIB-PWSUYJOCSA-N 2 2 220.316 1.480 20 10 BDCDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1O ZINC000902408159 584574862 /nfs/dbraw/zinc/57/48/62/584574862.db2.gz XHNRYSFAHYHBKH-QMMMGPOBSA-N 2 2 224.279 1.673 20 10 BDCDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1O ZINC000902408627 584575695 /nfs/dbraw/zinc/57/56/95/584575695.db2.gz ZSASWMKLYRTFCK-SSDOTTSWSA-N 2 2 242.269 1.812 20 10 BDCDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000902446226 584594238 /nfs/dbraw/zinc/59/42/38/584594238.db2.gz SSAZZMAUXADVQM-DGCLKSJQSA-N 2 2 246.354 1.967 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)C[C@H]([NH3+])CC(F)F ZINC000903884922 584819218 /nfs/dbraw/zinc/81/92/18/584819218.db2.gz HYQOUIGODYEGSR-SNVBAGLBSA-N 2 2 244.285 1.807 20 10 BDCDLP C[N@H+](Cc1ccccc1O)C[C@H]([NH3+])CC(F)F ZINC000903884922 584819219 /nfs/dbraw/zinc/81/92/19/584819219.db2.gz HYQOUIGODYEGSR-SNVBAGLBSA-N 2 2 244.285 1.807 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000903960595 584828334 /nfs/dbraw/zinc/82/83/34/584828334.db2.gz QLBBTOJBKPUCMN-LDYMZIIASA-N 2 2 240.734 1.743 20 10 BDCDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]1 ZINC000817902853 586836024 /nfs/dbraw/zinc/83/60/24/586836024.db2.gz ZNNRTBVTYNACIH-BXUZGUMPSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]1 ZINC000817902856 586836057 /nfs/dbraw/zinc/83/60/57/586836057.db2.gz ZNNRTBVTYNACIH-SMDDNHRTSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942134 586845199 /nfs/dbraw/zinc/84/51/99/586845199.db2.gz XADDSTHUDCLDOS-ONGXEEELSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944564 586845789 /nfs/dbraw/zinc/84/57/89/586845789.db2.gz GZWQSMVUSHXFHV-VHSXEESVSA-N 2 2 206.289 1.405 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817953199 586848724 /nfs/dbraw/zinc/84/87/24/586848724.db2.gz WWQAKSGXIQXFOQ-SSDOTTSWSA-N 2 2 230.258 1.540 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817952650 586848962 /nfs/dbraw/zinc/84/89/62/586848962.db2.gz RZBKCELBNXOGHL-SNVBAGLBSA-N 2 2 206.289 1.189 20 10 BDCDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955712 586850120 /nfs/dbraw/zinc/85/01/20/586850120.db2.gz FVJZTQWWVDJCDW-SMDDNHRTSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955712 586850123 /nfs/dbraw/zinc/85/01/23/586850123.db2.gz FVJZTQWWVDJCDW-SMDDNHRTSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817961264 586853383 /nfs/dbraw/zinc/85/33/83/586853383.db2.gz VZZJHPDNXHVHIR-PRHODGIISA-N 2 2 238.306 1.919 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000841023790 587935371 /nfs/dbraw/zinc/93/53/71/587935371.db2.gz FVOBREODOTYWMM-KWQFWETISA-N 2 2 224.279 1.453 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000841023790 587935373 /nfs/dbraw/zinc/93/53/73/587935373.db2.gz FVOBREODOTYWMM-KWQFWETISA-N 2 2 224.279 1.453 20 10 BDCDLP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841027033 587936204 /nfs/dbraw/zinc/93/62/04/587936204.db2.gz ITJMSHCUMURVEZ-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841027033 587936205 /nfs/dbraw/zinc/93/62/05/587936205.db2.gz ITJMSHCUMURVEZ-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841033625 587937341 /nfs/dbraw/zinc/93/73/41/587937341.db2.gz YCOUPOSMSUHCTF-NSHDSACASA-N 2 2 238.306 1.763 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043866 587939331 /nfs/dbraw/zinc/93/93/31/587939331.db2.gz YBUMHHTUYNGKDL-SECBINFHSA-N 2 2 240.734 1.887 20 10 BDCDLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)c(O)c1 ZINC000841045417 587939468 /nfs/dbraw/zinc/93/94/68/587939468.db2.gz URSGMHLZNPNYPD-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057609 587940365 /nfs/dbraw/zinc/94/03/65/587940365.db2.gz ASTHZKSTMQGGJD-ZWNOBZJWSA-N 2 2 234.343 1.788 20 10 BDCDLP COc1cc(Cl)cc(C[NH2+][C@H](C)C[NH3+])c1O ZINC000841061123 587941100 /nfs/dbraw/zinc/94/11/00/587941100.db2.gz VQHPHRTXVBTDJF-SSDOTTSWSA-N 2 2 244.722 1.491 20 10 BDCDLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1O ZINC000841064257 587941265 /nfs/dbraw/zinc/94/12/65/587941265.db2.gz WTJNFGVKZUVOLQ-ZETCQYMHSA-N 2 2 214.696 1.482 20 10 BDCDLP Oc1c(F)cccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841090363 587945935 /nfs/dbraw/zinc/94/59/35/587945935.db2.gz OJOXDCDMPDOOBK-LLVKDONJSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000843045452 588076223 /nfs/dbraw/zinc/07/62/23/588076223.db2.gz RCXYHQMLPWXHBY-LLVKDONJSA-N 2 2 240.734 1.887 20 10 BDCDLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000843045452 588076225 /nfs/dbraw/zinc/07/62/25/588076225.db2.gz RCXYHQMLPWXHBY-LLVKDONJSA-N 2 2 240.734 1.887 20 10 BDCDLP C[C@H]1C[NH2+]C[C@@H](Nc2ccc([NH3+])cc2)C1 ZINC000843126670 588084545 /nfs/dbraw/zinc/08/45/45/588084545.db2.gz SOEGIIHVRNLVDY-SKDRFNHKSA-N 2 2 205.305 1.679 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000863486724 589293016 /nfs/dbraw/zinc/29/30/16/589293016.db2.gz DBVQSMBUFZRYDI-GXSJLCMTSA-N 2 2 206.289 1.232 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C[NH2+]1 ZINC000863485161 589293185 /nfs/dbraw/zinc/29/31/85/589293185.db2.gz VOQLEKYPDSZJMO-ONGXEEELSA-N 2 2 238.306 1.761 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cc(C)c(C)cc1O ZINC000863644576 589306916 /nfs/dbraw/zinc/30/69/16/589306916.db2.gz ATLRNNJDGAZWFS-UHFFFAOYSA-N 2 2 222.332 1.790 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cc(C)c(C)cc1O ZINC000863644576 589306918 /nfs/dbraw/zinc/30/69/18/589306918.db2.gz ATLRNNJDGAZWFS-UHFFFAOYSA-N 2 2 222.332 1.790 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)C)cc1C ZINC000863643956 589306927 /nfs/dbraw/zinc/30/69/27/589306927.db2.gz DLOHTDFCFJYEBN-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)C)cc1C ZINC000863643956 589306928 /nfs/dbraw/zinc/30/69/28/589306928.db2.gz DLOHTDFCFJYEBN-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841087784 639126686 /nfs/dbraw/zinc/12/66/86/639126686.db2.gz XCBIIQKPFLNTMH-AWEZNQCLSA-N 2 2 247.386 1.983 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000150064477 639298570 /nfs/dbraw/zinc/29/85/70/639298570.db2.gz BLGCXZKVTNYQKF-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000150064477 639298573 /nfs/dbraw/zinc/29/85/73/639298573.db2.gz BLGCXZKVTNYQKF-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000393872415 711178077 /nfs/dbraw/zinc/17/80/77/711178077.db2.gz AEWYWIGZLGDDSN-CABZTGNLSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000393872415 711178080 /nfs/dbraw/zinc/17/80/80/711178080.db2.gz AEWYWIGZLGDDSN-CABZTGNLSA-N 2 2 236.315 1.322 20 10 BDCDLP C[N@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235348756 979029891 /nfs/dbraw/zinc/02/98/91/979029891.db2.gz YWDCSHRJTFIDMA-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235348756 979029898 /nfs/dbraw/zinc/02/98/98/979029898.db2.gz YWDCSHRJTFIDMA-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP c1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000258800265 961064969 /nfs/dbraw/zinc/06/49/69/961064969.db2.gz CWLLXBLVRKMGBU-AWEZNQCLSA-N 2 2 246.354 1.853 20 10 BDCDLP CCOc1ccc(C[NH2+]CC[NH2+]C)c(O)c1 ZINC000841034824 961248258 /nfs/dbraw/zinc/24/82/58/961248258.db2.gz FPIBLVBWWZUCCR-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170306 966291652 /nfs/dbraw/zinc/29/16/52/966291652.db2.gz UUJXPSPKVHJRJU-CQSZACIVSA-N 2 2 245.370 1.820 20 10 BDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170306 966291659 /nfs/dbraw/zinc/29/16/59/966291659.db2.gz UUJXPSPKVHJRJU-CQSZACIVSA-N 2 2 245.370 1.820 20 10 BDCDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC001328677173 973260652 /nfs/dbraw/zinc/26/06/52/973260652.db2.gz KQSVZHGVWRBQCB-VIFPVBQESA-N 2 2 242.750 1.991 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001336284632 977614269 /nfs/dbraw/zinc/61/42/69/977614269.db2.gz BDBGMRRGKPNINJ-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC001336284632 977614278 /nfs/dbraw/zinc/61/42/78/977614278.db2.gz BDBGMRRGKPNINJ-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP CCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251718 979470182 /nfs/dbraw/zinc/47/01/82/979470182.db2.gz ZJMAMRNWIOLALB-CYBMUJFWSA-N 2 2 234.343 1.878 20 10 BDCDLP CCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251718 979470187 /nfs/dbraw/zinc/47/01/87/979470187.db2.gz ZJMAMRNWIOLALB-CYBMUJFWSA-N 2 2 234.343 1.878 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236418396 979591891 /nfs/dbraw/zinc/59/18/91/979591891.db2.gz HIUANSAPKQHXJR-GWCFXTLKSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001236418396 979591898 /nfs/dbraw/zinc/59/18/98/979591898.db2.gz HIUANSAPKQHXJR-GWCFXTLKSA-N 2 2 219.332 1.580 20 10 BDCDLP COc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC000380551287 993336705 /nfs/dbraw/zinc/33/67/05/993336705.db2.gz JWMLCZQCLHSZEW-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC000380551287 993336712 /nfs/dbraw/zinc/33/67/12/993336712.db2.gz JWMLCZQCLHSZEW-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221142968 173034556 /nfs/dbraw/zinc/03/45/56/173034556.db2.gz AJIXNIZMJZTVEJ-CQSZACIVSA-N 2 2 246.354 1.805 20 10 BDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221142968 173034559 /nfs/dbraw/zinc/03/45/59/173034559.db2.gz AJIXNIZMJZTVEJ-CQSZACIVSA-N 2 2 246.354 1.805 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246016 588728584 /nfs/dbraw/zinc/72/85/84/588728584.db2.gz GVCUNLWUPFEDLP-UHFFFAOYSA-N 2 2 236.290 1.373 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000853249348 588728776 /nfs/dbraw/zinc/72/87/76/588728776.db2.gz PXKPUKBCCPLSFB-LLVKDONJSA-N 2 2 222.332 1.707 20 10 BDCDLP CCOc1ccc(C[NH2+][C@H](C)C[NH2+]C)c(O)c1 ZINC000853248658 588728981 /nfs/dbraw/zinc/72/89/81/588728981.db2.gz IEIWEMUKPUPGHA-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000853250716 588729379 /nfs/dbraw/zinc/72/93/79/588729379.db2.gz YAJXOLHTHSUJRU-NSHDSACASA-N 2 2 222.332 1.701 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000854230949 588780987 /nfs/dbraw/zinc/78/09/87/588780987.db2.gz CDAHMAHFXOIJMU-ZJUUUORDSA-N 2 2 208.305 1.651 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000854230946 588781014 /nfs/dbraw/zinc/78/10/14/588781014.db2.gz CDAHMAHFXOIJMU-UWVGGRQHSA-N 2 2 208.305 1.651 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000854231103 588779744 /nfs/dbraw/zinc/77/97/44/588779744.db2.gz DTCFXQOFXRBPGM-RKDXNWHRSA-N 2 2 226.295 1.790 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000853249794 583030796 /nfs/dbraw/zinc/03/07/96/583030796.db2.gz VVJIPAYHGWCBNX-SNVBAGLBSA-N 2 2 239.338 1.589 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841059551 584126262 /nfs/dbraw/zinc/12/62/62/584126262.db2.gz UJYDYXAGSDGXKZ-DGCLKSJQSA-N 2 2 234.343 1.788 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000903960611 584828402 /nfs/dbraw/zinc/82/84/02/584828402.db2.gz QYOSIPPUPFYHFJ-BXUZGUMPSA-N 2 2 233.359 1.450 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000756116797 585314707 /nfs/dbraw/zinc/31/47/07/585314707.db2.gz BSCWCEZCRONIAR-CQSZACIVSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000756116797 585314708 /nfs/dbraw/zinc/31/47/08/585314708.db2.gz BSCWCEZCRONIAR-CQSZACIVSA-N 2 2 247.386 1.855 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817952434 586848242 /nfs/dbraw/zinc/84/82/42/586848242.db2.gz PSKYLHVBYOGTSZ-JTQLQIEISA-N 2 2 208.305 1.571 20 10 BDCDLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(C)cc1O ZINC000817953289 586849042 /nfs/dbraw/zinc/84/90/42/586849042.db2.gz YUFDFXMVLAVGMP-GFCCVEGCSA-N 2 2 222.332 1.961 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817965930 586854739 /nfs/dbraw/zinc/85/47/39/586854739.db2.gz XCTLLZKVBKZMII-PRHODGIISA-N 2 2 238.306 1.919 20 10 BDCDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccccc1O ZINC000817965746 586855443 /nfs/dbraw/zinc/85/54/43/586855443.db2.gz ZQCVKABJQUCHKS-LLVKDONJSA-N 2 2 238.331 1.279 20 10 BDCDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841029034 587936214 /nfs/dbraw/zinc/93/62/14/587936214.db2.gz DKLSRZAZGSAWLT-NSHDSACASA-N 2 2 226.295 1.604 20 10 BDCDLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000841029671 587936440 /nfs/dbraw/zinc/93/64/40/587936440.db2.gz YDFLDGCFJFOXRH-NSHDSACASA-N 2 2 240.734 1.873 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841036982 587937531 /nfs/dbraw/zinc/93/75/31/587937531.db2.gz WSJXDDVLCGUSGD-NSHDSACASA-N 2 2 224.279 1.373 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841035628 587937904 /nfs/dbraw/zinc/93/79/04/587937904.db2.gz IMZXFQWQLQISER-UHFFFAOYSA-N 2 2 232.686 1.494 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841037772 587937933 /nfs/dbraw/zinc/93/79/33/587937933.db2.gz VMWNHFCDCUXMBX-UHFFFAOYSA-N 2 2 221.348 1.370 20 10 BDCDLP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000841045485 587938920 /nfs/dbraw/zinc/93/89/20/587938920.db2.gz WJEULSHDCWYREH-NQHOJNORSA-N 2 2 245.370 1.717 20 10 BDCDLP COc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841043662 587938963 /nfs/dbraw/zinc/93/89/63/587938963.db2.gz UWQLBEXCZCHNDR-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841058005 587940640 /nfs/dbraw/zinc/94/06/40/587940640.db2.gz DPJGAQOAFIYNQC-SMDDNHRTSA-N 2 2 246.354 1.709 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1O ZINC000841065609 587942880 /nfs/dbraw/zinc/94/28/80/587942880.db2.gz RFYJJCUYYAFGGG-AAEUAGOBSA-N 2 2 234.343 1.931 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105413 587946467 /nfs/dbraw/zinc/94/64/67/587946467.db2.gz KFFISEFLZSBNEY-CQSZACIVSA-N 2 2 232.327 1.720 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105413 587946469 /nfs/dbraw/zinc/94/64/69/587946469.db2.gz KFFISEFLZSBNEY-CQSZACIVSA-N 2 2 232.327 1.720 20 10 BDCDLP Oc1c(F)cccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000843045442 588075889 /nfs/dbraw/zinc/07/58/89/588075889.db2.gz QPFUCQBWDZPEKR-UHFFFAOYSA-N 2 2 224.279 1.327 20 10 BDCDLP Oc1c(F)cccc1C[N@H+]1CCC[NH2+]CC1 ZINC000843045442 588075891 /nfs/dbraw/zinc/07/58/91/588075891.db2.gz QPFUCQBWDZPEKR-UHFFFAOYSA-N 2 2 224.279 1.327 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000843047407 588075972 /nfs/dbraw/zinc/07/59/72/588075972.db2.gz UKACUYQNMRELBJ-XGACYXMMSA-N 2 2 245.370 1.799 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000843047407 588075974 /nfs/dbraw/zinc/07/59/74/588075974.db2.gz UKACUYQNMRELBJ-XGACYXMMSA-N 2 2 245.370 1.799 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000843047333 588076458 /nfs/dbraw/zinc/07/64/58/588076458.db2.gz LVDJSYJFNHSKBG-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000843047333 588076459 /nfs/dbraw/zinc/07/64/59/588076459.db2.gz LVDJSYJFNHSKBG-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843048557 588076545 /nfs/dbraw/zinc/07/65/45/588076545.db2.gz HIASOABELCXPLI-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843048557 588076547 /nfs/dbraw/zinc/07/65/47/588076547.db2.gz HIASOABELCXPLI-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052710 588077041 /nfs/dbraw/zinc/07/70/41/588077041.db2.gz VWEJZHGSNXXFLH-SNVBAGLBSA-N 2 2 239.338 1.671 20 10 BDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052710 588077043 /nfs/dbraw/zinc/07/70/43/588077043.db2.gz VWEJZHGSNXXFLH-SNVBAGLBSA-N 2 2 239.338 1.671 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120634 588083884 /nfs/dbraw/zinc/08/38/84/588083884.db2.gz RYMHZHZEZOPVEV-MWLCHTKSSA-N 2 2 236.315 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120634 588083885 /nfs/dbraw/zinc/08/38/85/588083885.db2.gz RYMHZHZEZOPVEV-MWLCHTKSSA-N 2 2 236.315 1.180 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cccc(C)c1O ZINC000863644065 589307243 /nfs/dbraw/zinc/30/72/43/589307243.db2.gz INKKIYXGYYJNFG-UHFFFAOYSA-N 2 2 208.305 1.481 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cccc(C)c1O ZINC000863644065 589307245 /nfs/dbraw/zinc/30/72/45/589307245.db2.gz INKKIYXGYYJNFG-UHFFFAOYSA-N 2 2 208.305 1.481 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863653488 589308225 /nfs/dbraw/zinc/30/82/25/589308225.db2.gz LFCGHAIXLQHPJA-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863653488 589308226 /nfs/dbraw/zinc/30/82/26/589308226.db2.gz LFCGHAIXLQHPJA-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000876961573 590261325 /nfs/dbraw/zinc/26/13/25/590261325.db2.gz INPGMPXLPVRDMC-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cccc(OC)c1O ZINC000300870712 592522935 /nfs/dbraw/zinc/52/29/35/592522935.db2.gz XEMVRSNXDVAFEQ-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cccc(OC)c1O ZINC000300870712 592522937 /nfs/dbraw/zinc/52/29/37/592522937.db2.gz XEMVRSNXDVAFEQ-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CCC[N@H+](CC[NH3+])Cc1ccccc1O ZINC000308871795 632036825 /nfs/dbraw/zinc/03/68/25/632036825.db2.gz ZHIYANVUGQWUSX-UHFFFAOYSA-N 2 2 208.305 1.563 20 10 BDCDLP CCC[N@@H+](CC[NH3+])Cc1ccccc1O ZINC000308871795 632036830 /nfs/dbraw/zinc/03/68/30/632036830.db2.gz ZHIYANVUGQWUSX-UHFFFAOYSA-N 2 2 208.305 1.563 20 10 BDCDLP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000258898104 635223042 /nfs/dbraw/zinc/22/30/42/635223042.db2.gz LZGSRLKYKVWCOC-ZDUSSCGKSA-N 2 2 234.343 1.845 20 10 BDCDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841064775 636974702 /nfs/dbraw/zinc/97/47/02/636974702.db2.gz JLAWDFRSBBKWGC-BXUZGUMPSA-N 2 2 246.354 1.852 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000904450637 637416244 /nfs/dbraw/zinc/41/62/44/637416244.db2.gz SFCNYVFQRUXWIL-UHFFFAOYSA-N 2 2 210.252 1.112 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841087849 639127365 /nfs/dbraw/zinc/12/73/65/639127365.db2.gz XCBIIQKPFLNTMH-CQSZACIVSA-N 2 2 247.386 1.983 20 10 BDCDLP c1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000084565848 644429099 /nfs/dbraw/zinc/42/90/99/644429099.db2.gz PNUUPBHXFKBHRI-AWEZNQCLSA-N 2 2 246.354 1.853 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817984033 644995244 /nfs/dbraw/zinc/99/52/44/644995244.db2.gz VCIKIOFLHGPVRD-MNOVXSKESA-N 2 2 236.315 1.031 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(F)ccc1O ZINC000380114033 712687391 /nfs/dbraw/zinc/68/73/91/712687391.db2.gz SRBCADYTAUYQGC-QMMMGPOBSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(F)ccc1O ZINC000380114033 712687396 /nfs/dbraw/zinc/68/73/96/712687396.db2.gz SRBCADYTAUYQGC-QMMMGPOBSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000393804189 710756104 /nfs/dbraw/zinc/75/61/04/710756104.db2.gz VFYXZCDJSKRHJN-NSHDSACASA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000393804189 710756107 /nfs/dbraw/zinc/75/61/07/710756107.db2.gz VFYXZCDJSKRHJN-NSHDSACASA-N 2 2 221.348 1.532 20 10 BDCDLP COc1ccc(O)c(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000380690619 712902453 /nfs/dbraw/zinc/90/24/53/712902453.db2.gz IPDXWRWKPHKHHS-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1ccc(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000380690619 712902454 /nfs/dbraw/zinc/90/24/54/712902454.db2.gz IPDXWRWKPHKHHS-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C[NH2+]1 ZINC000398953721 711417879 /nfs/dbraw/zinc/41/78/79/711417879.db2.gz GAIJVANITSRWKI-ZYHUDNBSSA-N 2 2 220.316 1.622 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236025214 979319711 /nfs/dbraw/zinc/31/97/11/979319711.db2.gz KTPOLUUOAMEZSI-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236025214 979319727 /nfs/dbraw/zinc/31/97/27/979319727.db2.gz KTPOLUUOAMEZSI-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405820379 971310846 /nfs/dbraw/zinc/31/08/46/971310846.db2.gz JZJGAMDOWMPIEF-AWEZNQCLSA-N 2 2 233.359 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405820379 971310850 /nfs/dbraw/zinc/31/08/50/971310850.db2.gz JZJGAMDOWMPIEF-AWEZNQCLSA-N 2 2 233.359 1.676 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222353750 972442888 /nfs/dbraw/zinc/44/28/88/972442888.db2.gz GOVZEIXTDBWHTH-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222353750 972442891 /nfs/dbraw/zinc/44/28/91/972442891.db2.gz GOVZEIXTDBWHTH-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP C[NH+](C)CCC[N@H+](C)Cc1cc(O)ccc1O ZINC001141155737 960889968 /nfs/dbraw/zinc/88/99/68/960889968.db2.gz IBRALKPGMBLXCV-UHFFFAOYSA-N 2 2 238.331 1.481 20 10 BDCDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(O)ccc1O ZINC001141155737 960889974 /nfs/dbraw/zinc/88/99/74/960889974.db2.gz IBRALKPGMBLXCV-UHFFFAOYSA-N 2 2 238.331 1.481 20 10 BDCDLP Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204801832 963686308 /nfs/dbraw/zinc/68/63/08/963686308.db2.gz VJTPZKZANDOJNW-CYBMUJFWSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(F)cc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204801832 963686317 /nfs/dbraw/zinc/68/63/17/963686317.db2.gz VJTPZKZANDOJNW-CYBMUJFWSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)ccc1N(C)C ZINC001205182677 967416585 /nfs/dbraw/zinc/41/65/85/967416585.db2.gz HUSOWLPRKJJIMR-TZMCWYRMSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)ccc1N(C)C ZINC001205182677 967416592 /nfs/dbraw/zinc/41/65/92/967416592.db2.gz HUSOWLPRKJJIMR-TZMCWYRMSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(F)cc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206737871 968451210 /nfs/dbraw/zinc/45/12/10/968451210.db2.gz UEVJKCWOTISQBG-UHFFFAOYSA-N 2 2 238.306 1.620 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328508083 973116410 /nfs/dbraw/zinc/11/64/10/973116410.db2.gz VNHGWXULYLLCMK-ZDUSSCGKSA-N 2 2 247.386 1.984 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001337838334 978519475 /nfs/dbraw/zinc/51/94/75/978519475.db2.gz NVHPDXNXZQDSPB-QWHCGFSZSA-N 2 2 219.332 1.499 20 10 BDCDLP CC[N@H+](Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001235971414 979235615 /nfs/dbraw/zinc/23/56/15/979235615.db2.gz WAEKRQQWRDPSRE-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP CC[N@@H+](Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001235971414 979235631 /nfs/dbraw/zinc/23/56/31/979235631.db2.gz WAEKRQQWRDPSRE-ZDUSSCGKSA-N 2 2 219.332 1.453 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990557 979273312 /nfs/dbraw/zinc/27/33/12/979273312.db2.gz KLILDQKWWJCPJT-BXUZGUMPSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990557 979273323 /nfs/dbraw/zinc/27/33/23/979273323.db2.gz KLILDQKWWJCPJT-BXUZGUMPSA-N 2 2 248.326 1.329 20 10 BDCDLP Nc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236240975 979462416 /nfs/dbraw/zinc/46/24/16/979462416.db2.gz NZXNNJSBBKVVFG-OAHLLOKOSA-N 2 2 245.370 1.985 20 10 BDCDLP Nc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236240975 979462422 /nfs/dbraw/zinc/46/24/22/979462422.db2.gz NZXNNJSBBKVVFG-OAHLLOKOSA-N 2 2 245.370 1.985 20 10 BDCDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC001578627610 985242081 /nfs/dbraw/zinc/24/20/81/985242081.db2.gz RWSJNMOIQXTMPS-MRVPVSSYSA-N 2 2 244.285 1.616 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000295847767 183297400 /nfs/dbraw/zinc/29/74/00/183297400.db2.gz FYFAORUYZCJYMX-LBPRGKRZSA-N 2 2 243.310 1.866 20 10 BDCDLP COc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000853245735 588728440 /nfs/dbraw/zinc/72/84/40/588728440.db2.gz CDBIORQOUWXLKO-UHFFFAOYSA-N 2 2 246.354 1.845 20 10 BDCDLP [NH3+]c1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853246858 588728674 /nfs/dbraw/zinc/72/86/74/588728674.db2.gz VIAKOCKKIUMRLO-JOYOIKCWSA-N 2 2 203.289 1.290 20 10 BDCDLP CCOc1ccc(O)c(C[NH2+][C@H](C)C[NH2+]C)c1 ZINC000853250006 588729492 /nfs/dbraw/zinc/72/94/92/588729492.db2.gz XUZNSQOFSPEUAP-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000854231375 588781384 /nfs/dbraw/zinc/78/13/84/588781384.db2.gz GSKJPQUSAUWNCD-VHSXEESVSA-N 2 2 238.331 1.659 20 10 BDCDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1O ZINC000902404867 584588829 /nfs/dbraw/zinc/58/88/29/584588829.db2.gz GEWMWNPMNDTBOL-QMMMGPOBSA-N 2 2 224.279 1.673 20 10 BDCDLP CC1(C)C[N@H+](Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000903986515 584835504 /nfs/dbraw/zinc/83/55/04/584835504.db2.gz LICCMNNNPGPLEK-LLVKDONJSA-N 2 2 238.306 1.700 20 10 BDCDLP CC1(C)C[N@@H+](Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000903986515 584835506 /nfs/dbraw/zinc/83/55/06/584835506.db2.gz LICCMNNNPGPLEK-LLVKDONJSA-N 2 2 238.306 1.700 20 10 BDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000817944711 586846218 /nfs/dbraw/zinc/84/62/18/586846218.db2.gz KCWUSYLFTCGDRP-NXEZZACHSA-N 2 2 236.315 1.413 20 10 BDCDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817944584 586846275 /nfs/dbraw/zinc/84/62/75/586846275.db2.gz HGRSXBNSDIXAFX-GHMZBOCLSA-N 2 2 220.316 1.713 20 10 BDCDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944912 586846590 /nfs/dbraw/zinc/84/65/90/586846590.db2.gz OYTKDFREGPLTGM-CMPLNLGQSA-N 2 2 220.316 1.795 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817951218 586848110 /nfs/dbraw/zinc/84/81/10/586848110.db2.gz BRYAWAJVQSXNMS-JTQLQIEISA-N 2 2 208.305 1.571 20 10 BDCDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817954137 586848631 /nfs/dbraw/zinc/84/86/31/586848631.db2.gz VGBWOEQFDQRIMN-VIFPVBQESA-N 2 2 238.306 1.934 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000817952804 586849385 /nfs/dbraw/zinc/84/93/85/586849385.db2.gz SUTBVAQUTIFAGP-MRVPVSSYSA-N 2 2 228.723 1.916 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969216 586855885 /nfs/dbraw/zinc/85/58/85/586855885.db2.gz SDFDXCQHKTUGKH-KGYLQXTDSA-N 2 2 246.354 1.967 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841035760 587937989 /nfs/dbraw/zinc/93/79/89/587937989.db2.gz LKUCVAMQCBCHAM-SNVBAGLBSA-N 2 2 224.279 1.373 20 10 BDCDLP COc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000841042259 587938433 /nfs/dbraw/zinc/93/84/33/587938433.db2.gz HQOPMCQRAFBVIG-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP Oc1c(F)cccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841042616 587938472 /nfs/dbraw/zinc/93/84/72/587938472.db2.gz LTHOSMCSECAYGJ-JTQLQIEISA-N 2 2 224.279 1.373 20 10 BDCDLP CC(C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041703 587938541 /nfs/dbraw/zinc/93/85/41/587938541.db2.gz AMAYAKCGEVCWRY-CYBMUJFWSA-N 2 2 221.348 1.750 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000841045406 587939109 /nfs/dbraw/zinc/93/91/09/587939109.db2.gz UHSXANOXIOPWEJ-GFCCVEGCSA-N 2 2 220.316 1.461 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043842 587939229 /nfs/dbraw/zinc/93/92/29/587939229.db2.gz XIJVCPFKTOKFHU-JTQLQIEISA-N 2 2 240.734 1.887 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000841066972 587942780 /nfs/dbraw/zinc/94/27/80/587942780.db2.gz YEXCHUYJTXTTRC-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000843045454 588075410 /nfs/dbraw/zinc/07/54/10/588075410.db2.gz RKRZXGSWNKEHDR-GFCCVEGCSA-N 2 2 220.316 1.542 20 10 BDCDLP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000843045454 588075412 /nfs/dbraw/zinc/07/54/12/588075412.db2.gz RKRZXGSWNKEHDR-GFCCVEGCSA-N 2 2 220.316 1.542 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843045143 588076488 /nfs/dbraw/zinc/07/64/88/588076488.db2.gz MSENBJXTXUVQIT-AWEZNQCLSA-N 2 2 247.386 1.855 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843045143 588076489 /nfs/dbraw/zinc/07/64/89/588076489.db2.gz MSENBJXTXUVQIT-AWEZNQCLSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000843049926 588076983 /nfs/dbraw/zinc/07/69/83/588076983.db2.gz YVNSBGLASAPAQX-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000843049926 588076985 /nfs/dbraw/zinc/07/69/85/588076985.db2.gz YVNSBGLASAPAQX-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000843051759 588077325 /nfs/dbraw/zinc/07/73/25/588077325.db2.gz LKCFMTOOAMJHNS-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000843051759 588077327 /nfs/dbraw/zinc/07/73/27/588077327.db2.gz LKCFMTOOAMJHNS-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP COc1cccc(O)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000849350510 588474972 /nfs/dbraw/zinc/47/49/72/588474972.db2.gz OUICDOZSAUVNDU-UHFFFAOYSA-N 2 2 238.331 1.570 20 10 BDCDLP COc1cccc(O)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000849350510 588474973 /nfs/dbraw/zinc/47/49/73/588474973.db2.gz OUICDOZSAUVNDU-UHFFFAOYSA-N 2 2 238.331 1.570 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C[NH2+]1 ZINC000863485158 589293381 /nfs/dbraw/zinc/29/33/81/589293381.db2.gz VOQLEKYPDSZJMO-GXSJLCMTSA-N 2 2 238.306 1.761 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)C[C@H](C)[NH3+])cc1C ZINC000863652443 589307521 /nfs/dbraw/zinc/30/75/21/589307521.db2.gz SYBRAKCPAHUUCB-NSHDSACASA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)C[C@H](C)[NH3+])cc1C ZINC000863652443 589307523 /nfs/dbraw/zinc/30/75/23/589307523.db2.gz SYBRAKCPAHUUCB-NSHDSACASA-N 2 2 222.332 1.788 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131367267 591604534 /nfs/dbraw/zinc/60/45/34/591604534.db2.gz SDUPXDBMIBYNCW-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131367267 591604537 /nfs/dbraw/zinc/60/45/37/591604537.db2.gz SDUPXDBMIBYNCW-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911337 634399430 /nfs/dbraw/zinc/39/94/30/634399430.db2.gz ACMFXKHFQGHOJL-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911337 634399434 /nfs/dbraw/zinc/39/94/34/634399434.db2.gz ACMFXKHFQGHOJL-GXTWGEPZSA-N 2 2 246.354 1.884 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341824 634127265 /nfs/dbraw/zinc/12/72/65/634127265.db2.gz CZJSLUYFAJLHPA-BXUZGUMPSA-N 2 2 233.359 1.674 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341824 634127268 /nfs/dbraw/zinc/12/72/68/634127268.db2.gz CZJSLUYFAJLHPA-BXUZGUMPSA-N 2 2 233.359 1.674 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043036 636925334 /nfs/dbraw/zinc/92/53/34/636925334.db2.gz MYZSBJBJYLOMCD-NSHDSACASA-N 2 2 224.279 1.373 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000904462944 637406633 /nfs/dbraw/zinc/40/66/33/637406633.db2.gz MYJGKLDIUQRKIC-CYBMUJFWSA-N 2 2 234.343 1.788 20 10 BDCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1O ZINC000226584584 640778382 /nfs/dbraw/zinc/77/83/82/640778382.db2.gz YEMFFIMTIKENQZ-JTQLQIEISA-N 2 2 249.289 1.906 20 10 BDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001204782311 963531968 /nfs/dbraw/zinc/53/19/68/963531968.db2.gz CVGMFUOSKDRRCW-GFCCVEGCSA-N 2 2 222.288 1.021 20 10 BDCDLP C[C@]1([NH3+])CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001204782312 963531227 /nfs/dbraw/zinc/53/12/27/963531227.db2.gz CVGMFUOSKDRRCW-LBPRGKRZSA-N 2 2 222.288 1.021 20 10 BDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001204782312 963531239 /nfs/dbraw/zinc/53/12/39/963531239.db2.gz CVGMFUOSKDRRCW-LBPRGKRZSA-N 2 2 222.288 1.021 20 10 BDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001204782311 963531961 /nfs/dbraw/zinc/53/19/61/963531961.db2.gz CVGMFUOSKDRRCW-GFCCVEGCSA-N 2 2 222.288 1.021 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235165055 966020289 /nfs/dbraw/zinc/02/02/89/966020289.db2.gz GCFCLFGMDPCGGA-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235165055 966020298 /nfs/dbraw/zinc/02/02/98/966020298.db2.gz GCFCLFGMDPCGGA-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235121584 978978277 /nfs/dbraw/zinc/97/82/77/978978277.db2.gz YAYPBGDWHIZPCS-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235121584 978978279 /nfs/dbraw/zinc/97/82/79/978978279.db2.gz YAYPBGDWHIZPCS-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+]1CCc2cccc(O)c2C1 ZINC001236072557 979361737 /nfs/dbraw/zinc/36/17/37/979361737.db2.gz JNFQSQZHLORLHR-VIFPVBQESA-N 2 2 206.289 1.098 20 10 BDCDLP C[C@H]([NH3+])C[N@H+]1CCc2cccc(O)c2C1 ZINC001236072557 979361742 /nfs/dbraw/zinc/36/17/42/979361742.db2.gz JNFQSQZHLORLHR-VIFPVBQESA-N 2 2 206.289 1.098 20 10 BDCDLP C[N@H+](Cc1ccc(N)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236206752 979449481 /nfs/dbraw/zinc/44/94/81/979449481.db2.gz LPEPZTCRFHSMFI-CQSZACIVSA-N 2 2 233.359 1.843 20 10 BDCDLP C[N@@H+](Cc1ccc(N)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236206752 979449484 /nfs/dbraw/zinc/44/94/84/979449484.db2.gz LPEPZTCRFHSMFI-CQSZACIVSA-N 2 2 233.359 1.843 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236421165 979591930 /nfs/dbraw/zinc/59/19/30/979591930.db2.gz BDBGMRRGKPNINJ-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC001236421165 979591938 /nfs/dbraw/zinc/59/19/38/979591938.db2.gz BDBGMRRGKPNINJ-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117953478 987967916 /nfs/dbraw/zinc/96/79/16/987967916.db2.gz IBYIFCIEHMJNDA-UHFFFAOYSA-N 2 2 247.386 1.986 20 10 BDCDLP C[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858808 988587592 /nfs/dbraw/zinc/58/75/92/988587592.db2.gz BWWFLEYWTIASJP-YPMHNXCESA-N 2 2 234.343 1.965 20 10 BDCDLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858808 988587614 /nfs/dbraw/zinc/58/76/14/988587614.db2.gz BWWFLEYWTIASJP-YPMHNXCESA-N 2 2 234.343 1.965 20 10 BDCDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041064151 343414877 /nfs/dbraw/zinc/41/48/77/343414877.db2.gz WPYSNMMABUDOAE-UHFFFAOYSA-N 2 2 245.326 1.990 20 10 BDCDLP Oc1ccccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221427770 183302174 /nfs/dbraw/zinc/30/21/74/183302174.db2.gz PTCPJIJVOXCWTL-WCQYABFASA-N 2 2 232.327 1.576 20 10 BDCDLP Oc1ccccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221427770 183302179 /nfs/dbraw/zinc/30/21/79/183302179.db2.gz PTCPJIJVOXCWTL-WCQYABFASA-N 2 2 232.327 1.576 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000853248714 588728962 /nfs/dbraw/zinc/72/89/62/588728962.db2.gz IVWYSDLXQDSXSR-SECBINFHSA-N 2 2 224.304 1.098 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000853249156 588729106 /nfs/dbraw/zinc/72/91/06/588729106.db2.gz NWZCTDXPJFERKT-ZETCQYMHSA-N 2 2 246.713 1.882 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000853248713 588729159 /nfs/dbraw/zinc/72/91/59/588729159.db2.gz IUIPPLPXHQUSHD-URWSZGRFSA-N 2 2 247.386 1.963 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000854233096 588781603 /nfs/dbraw/zinc/78/16/03/588781603.db2.gz XMEXQAOZVZJPAM-QWRGUYRKSA-N 2 2 222.332 1.959 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000854231719 583083718 /nfs/dbraw/zinc/08/37/18/583083718.db2.gz KSAWDYFCXHIHRK-HTQZYQBOSA-N 2 2 244.285 1.929 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902472159 584600949 /nfs/dbraw/zinc/60/09/49/584600949.db2.gz YEGRXDCRTNPZJX-LYIQGSDWSA-N 2 2 232.327 1.936 20 10 BDCDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000841076142 584740731 /nfs/dbraw/zinc/74/07/31/584740731.db2.gz ASDWYSWNJYHMOZ-SFYZADRCSA-N 2 2 212.268 1.357 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000903964424 584834242 /nfs/dbraw/zinc/83/42/42/584834242.db2.gz QKSSFESHLCWVLA-LDYMZIIASA-N 2 2 224.279 1.229 20 10 BDCDLP Cc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000903986652 584835614 /nfs/dbraw/zinc/83/56/14/584835614.db2.gz OTFUVSJYCKWVSH-GFCCVEGCSA-N 2 2 234.343 1.870 20 10 BDCDLP Cc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000903986652 584835615 /nfs/dbraw/zinc/83/56/15/584835615.db2.gz OTFUVSJYCKWVSH-GFCCVEGCSA-N 2 2 234.343 1.870 20 10 BDCDLP C[C@H]([NH2+]CC[NH3+])c1cc(F)cc(F)c1O ZINC000817934052 586842780 /nfs/dbraw/zinc/84/27/80/586842780.db2.gz AZWOYPLNDVNFLV-LURJTMIESA-N 2 2 216.231 1.280 20 10 BDCDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951622 586847658 /nfs/dbraw/zinc/84/76/58/586847658.db2.gz HOSVXMSNMAKAKG-ONGXEEELSA-N 2 2 238.306 1.934 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952585 586847915 /nfs/dbraw/zinc/84/79/15/586847915.db2.gz RULDXIWTMGXGDA-PSASIEDQSA-N 2 2 238.306 1.889 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817951891 586847935 /nfs/dbraw/zinc/84/79/35/586847935.db2.gz KWIZQGOYILCVAH-NSHDSACASA-N 2 2 222.332 1.879 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817972233 586859734 /nfs/dbraw/zinc/85/97/34/586859734.db2.gz KLTCAIXGKILTEB-HTQZYQBOSA-N 2 2 212.268 1.529 20 10 BDCDLP [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000841028562 587936095 /nfs/dbraw/zinc/93/60/95/587936095.db2.gz PPROGUBVWFANLW-NSHDSACASA-N 2 2 224.279 1.358 20 10 BDCDLP [NH3+]C[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000841027445 587936807 /nfs/dbraw/zinc/93/68/07/587936807.db2.gz BEFGLMDWNBEVIR-LLVKDONJSA-N 2 2 224.279 1.358 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cccc(OC)c1O ZINC000841036324 587937816 /nfs/dbraw/zinc/93/78/16/587937816.db2.gz LFPRANYAVYHXEP-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040915 587938470 /nfs/dbraw/zinc/93/84/70/587938470.db2.gz COBYQWHBZIHSHT-KYOSRNDESA-N 2 2 247.386 1.998 20 10 BDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043054 587938861 /nfs/dbraw/zinc/93/88/61/587938861.db2.gz NMWFCPACTATEMC-SNVBAGLBSA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000841044683 587938912 /nfs/dbraw/zinc/93/89/12/587938912.db2.gz GATVGFGPIIUMQX-LLVKDONJSA-N 2 2 240.734 1.806 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000843054572 588076646 /nfs/dbraw/zinc/07/66/46/588076646.db2.gz UFWCIENOEYHMAC-SNVBAGLBSA-N 2 2 224.279 1.454 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000843054572 588076648 /nfs/dbraw/zinc/07/66/48/588076648.db2.gz UFWCIENOEYHMAC-SNVBAGLBSA-N 2 2 224.279 1.454 20 10 BDCDLP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000843051321 588077028 /nfs/dbraw/zinc/07/70/28/588077028.db2.gz WOSXXBJPJOXTPC-UHFFFAOYSA-N 2 2 246.713 1.965 20 10 BDCDLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000843051321 588077030 /nfs/dbraw/zinc/07/70/30/588077030.db2.gz WOSXXBJPJOXTPC-UHFFFAOYSA-N 2 2 246.713 1.965 20 10 BDCDLP C[N@H+](Cc1cccc(F)c1O)C1(C[NH3+])CCC1 ZINC000843125300 588083541 /nfs/dbraw/zinc/08/35/41/588083541.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 2 2 238.306 1.845 20 10 BDCDLP C[N@@H+](Cc1cccc(F)c1O)C1(C[NH3+])CCC1 ZINC000843125300 588083542 /nfs/dbraw/zinc/08/35/42/588083542.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 2 2 238.306 1.845 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000877581951 590365747 /nfs/dbraw/zinc/36/57/47/590365747.db2.gz AZFZNIXOUCMHPJ-UHFFFAOYSA-N 2 2 245.326 1.766 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000128903564 591176903 /nfs/dbraw/zinc/17/69/03/591176903.db2.gz QESXCKGNCGGCAM-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000128903564 591176904 /nfs/dbraw/zinc/17/69/04/591176904.db2.gz QESXCKGNCGGCAM-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cc(Cl)ccc1O ZINC000300799236 592520504 /nfs/dbraw/zinc/52/05/04/592520504.db2.gz ITHBNUNBDYMNHC-UHFFFAOYSA-N 2 2 228.723 1.826 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cc(Cl)ccc1O ZINC000300799236 592520506 /nfs/dbraw/zinc/52/05/06/592520506.db2.gz ITHBNUNBDYMNHC-UHFFFAOYSA-N 2 2 228.723 1.826 20 10 BDCDLP Oc1ccccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000236564578 635603690 /nfs/dbraw/zinc/60/36/90/635603690.db2.gz IXSDPYCEWSQMMZ-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000070955778 643087237 /nfs/dbraw/zinc/08/72/37/643087237.db2.gz BYUBOSAJIOSZQM-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000070955778 643087241 /nfs/dbraw/zinc/08/72/41/643087241.db2.gz BYUBOSAJIOSZQM-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923274668 644309180 /nfs/dbraw/zinc/30/91/80/644309180.db2.gz PIRVMLVQUQQEEL-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923274668 644309187 /nfs/dbraw/zinc/30/91/87/644309187.db2.gz PIRVMLVQUQQEEL-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP C[N@H+](CCC[NH3+])Cc1cccc(F)c1O ZINC000381787362 710715662 /nfs/dbraw/zinc/71/56/62/710715662.db2.gz ZETAEQOBQSIHHN-UHFFFAOYSA-N 2 2 212.268 1.312 20 10 BDCDLP C[N@@H+](CCC[NH3+])Cc1cccc(F)c1O ZINC000381787362 710715665 /nfs/dbraw/zinc/71/56/65/710715665.db2.gz ZETAEQOBQSIHHN-UHFFFAOYSA-N 2 2 212.268 1.312 20 10 BDCDLP CCc1cccc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000709447587 712222145 /nfs/dbraw/zinc/22/21/45/712222145.db2.gz VREJCJPFDOHWBD-UHFFFAOYSA-N 2 2 245.326 1.941 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720765985 712864073 /nfs/dbraw/zinc/86/40/73/712864073.db2.gz FQYRTJCAYIEBEK-CYBMUJFWSA-N 2 2 234.343 1.870 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720765985 712864074 /nfs/dbraw/zinc/86/40/74/712864074.db2.gz FQYRTJCAYIEBEK-CYBMUJFWSA-N 2 2 234.343 1.870 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001345103104 980549506 /nfs/dbraw/zinc/54/95/06/980549506.db2.gz BGQDGEMCHXEZDZ-JDICNCQASA-N 2 2 238.718 1.353 20 10 BDCDLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N)cc1 ZINC001235906318 979196292 /nfs/dbraw/zinc/19/62/92/979196292.db2.gz NWYDWBIKZWRUBY-GXFFZTMASA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N)cc1 ZINC001235906318 979196303 /nfs/dbraw/zinc/19/63/03/979196303.db2.gz NWYDWBIKZWRUBY-GXFFZTMASA-N 2 2 219.332 1.580 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236028364 979324947 /nfs/dbraw/zinc/32/49/47/979324947.db2.gz POCUVJGAJRJDBO-GWCFXTLKSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236028364 979324961 /nfs/dbraw/zinc/32/49/61/979324961.db2.gz POCUVJGAJRJDBO-GWCFXTLKSA-N 2 2 218.300 1.234 20 10 BDCDLP CCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236029531 979325431 /nfs/dbraw/zinc/32/54/31/979325431.db2.gz SSRXTUONKZFEOC-TZMCWYRMSA-N 2 2 232.327 1.488 20 10 BDCDLP CCc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236029531 979325444 /nfs/dbraw/zinc/32/54/44/979325444.db2.gz SSRXTUONKZFEOC-TZMCWYRMSA-N 2 2 232.327 1.488 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(O)cc1O ZINC001236865322 979772065 /nfs/dbraw/zinc/77/20/65/979772065.db2.gz ISYFHSZSADFRSH-JTQLQIEISA-N 2 2 224.304 1.267 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(O)cc1O ZINC001236865322 979772083 /nfs/dbraw/zinc/77/20/83/979772083.db2.gz ISYFHSZSADFRSH-JTQLQIEISA-N 2 2 224.304 1.267 20 10 BDCDLP CC1(C[NH3+])C[NH+](Cc2cc(F)ccc2O)C1 ZINC001206723288 990880307 /nfs/dbraw/zinc/88/03/07/990880307.db2.gz NUCBIHYMSFVFMZ-UHFFFAOYSA-N 2 2 224.279 1.312 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1O ZINC000368044774 179076887 /nfs/dbraw/zinc/07/68/87/179076887.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1O ZINC000368044774 179076889 /nfs/dbraw/zinc/07/68/89/179076889.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671820 173021571 /nfs/dbraw/zinc/02/15/71/173021571.db2.gz AUQRQSFZISEMPH-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671820 173021573 /nfs/dbraw/zinc/02/15/73/173021573.db2.gz AUQRQSFZISEMPH-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226587868 173034705 /nfs/dbraw/zinc/03/47/05/173034705.db2.gz QQJWDJALLJXLHF-LLVKDONJSA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226587868 173034708 /nfs/dbraw/zinc/03/47/08/173034708.db2.gz QQJWDJALLJXLHF-LLVKDONJSA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133414 /nfs/dbraw/zinc/13/34/14/173133414.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133417 /nfs/dbraw/zinc/13/34/17/173133417.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133419 /nfs/dbraw/zinc/13/34/19/173133419.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133422 /nfs/dbraw/zinc/13/34/22/173133422.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853245942 588728535 /nfs/dbraw/zinc/72/85/35/588728535.db2.gz DLOGTUNTCYILLF-UHFFFAOYSA-N 2 2 236.290 1.373 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000853249546 588728975 /nfs/dbraw/zinc/72/89/75/588728975.db2.gz RCLPBMGNDACWKH-QMMMGPOBSA-N 2 2 228.723 1.743 20 10 BDCDLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC000853248616 588729014 /nfs/dbraw/zinc/72/90/14/588729014.db2.gz VYYCVXMEKSQXPB-GHMZBOCLSA-N 2 2 224.279 1.263 20 10 BDCDLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC000853248616 588729015 /nfs/dbraw/zinc/72/90/15/588729015.db2.gz VYYCVXMEKSQXPB-GHMZBOCLSA-N 2 2 224.279 1.263 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000854230944 588780786 /nfs/dbraw/zinc/78/07/86/588780786.db2.gz CDAHMAHFXOIJMU-NXEZZACHSA-N 2 2 208.305 1.651 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000876962101 584888277 /nfs/dbraw/zinc/88/82/77/584888277.db2.gz MCVFUBXXZNIEDZ-GFCCVEGCSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000876962101 584888278 /nfs/dbraw/zinc/88/82/78/584888278.db2.gz MCVFUBXXZNIEDZ-GFCCVEGCSA-N 2 2 234.343 1.884 20 10 BDCDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945166 584992048 /nfs/dbraw/zinc/99/20/48/584992048.db2.gz WARRLEVCSNVKJT-PWSUYJOCSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940478 586845539 /nfs/dbraw/zinc/84/55/39/586845539.db2.gz ICLBGZVTQSBFHF-KOLCDFICSA-N 2 2 238.306 1.934 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000817944610 586846578 /nfs/dbraw/zinc/84/65/78/586846578.db2.gz IAOHRXDULMPLMM-WDEREUQCSA-N 2 2 218.300 1.331 20 10 BDCDLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(F)cc1O ZINC000817953275 586849002 /nfs/dbraw/zinc/84/90/02/586849002.db2.gz YHGLUSDNJWNEQV-NSHDSACASA-N 2 2 226.295 1.791 20 10 BDCDLP CCC[NH2+]CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963662 586854187 /nfs/dbraw/zinc/85/41/87/586854187.db2.gz WWUYSOKIMVMJEN-GFCCVEGCSA-N 2 2 234.343 1.969 20 10 BDCDLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817966433 586854700 /nfs/dbraw/zinc/85/47/00/586854700.db2.gz NSIQBHHHRDHMIB-LDYMZIIASA-N 2 2 226.295 1.919 20 10 BDCDLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817966432 586854883 /nfs/dbraw/zinc/85/48/83/586854883.db2.gz NSIQBHHHRDHMIB-KCJUWKMLSA-N 2 2 226.295 1.919 20 10 BDCDLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817977117 586859938 /nfs/dbraw/zinc/85/99/38/586859938.db2.gz BQNXHWPDZLZDLP-HLTSFMKQSA-N 2 2 226.295 1.918 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841032988 587936912 /nfs/dbraw/zinc/93/69/12/587936912.db2.gz LJCDORZLEHISME-GFCCVEGCSA-N 2 2 238.306 1.763 20 10 BDCDLP COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841035150 587937338 /nfs/dbraw/zinc/93/73/38/587937338.db2.gz IGIFXMBYPZWZQH-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP [NH3+][C@@H](C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000841048047 587938993 /nfs/dbraw/zinc/93/89/93/587938993.db2.gz BKAFASKGXAMUJI-NSHDSACASA-N 2 2 240.734 1.873 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000841043052 587939338 /nfs/dbraw/zinc/93/93/38/587939338.db2.gz NLLIFEQHXKWEMN-LBPRGKRZSA-N 2 2 220.316 1.542 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044804 587939362 /nfs/dbraw/zinc/93/93/62/587939362.db2.gz INKGFHOXZKRBPV-MRVPVSSYSA-N 2 2 226.707 1.497 20 10 BDCDLP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841050202 587940041 /nfs/dbraw/zinc/94/00/41/587940041.db2.gz ZRIDKBJJUJGVJY-ZETCQYMHSA-N 2 2 246.713 1.869 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841058002 587940791 /nfs/dbraw/zinc/94/07/91/587940791.db2.gz DPJGAQOAFIYNQC-BXUZGUMPSA-N 2 2 246.354 1.709 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841064246 587941335 /nfs/dbraw/zinc/94/13/35/587941335.db2.gz AEZRQUGPISVACW-LLVKDONJSA-N 2 2 234.343 1.709 20 10 BDCDLP CCOc1ccc(C[NH2+][C@@H](C)C[NH3+])c(O)c1 ZINC000841064210 587942187 /nfs/dbraw/zinc/94/21/87/587942187.db2.gz VQNDBWZDISUWSS-VIFPVBQESA-N 2 2 224.304 1.228 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1O ZINC000841071339 587942982 /nfs/dbraw/zinc/94/29/82/587942982.db2.gz DIWCNMZYVQXFEE-SECBINFHSA-N 2 2 228.723 1.873 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843051421 588076786 /nfs/dbraw/zinc/07/67/86/588076786.db2.gz HFVBPQZNKFFJFL-BXKDBHETSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843051421 588076789 /nfs/dbraw/zinc/07/67/89/588076789.db2.gz HFVBPQZNKFFJFL-BXKDBHETSA-N 2 2 238.306 1.700 20 10 BDCDLP C[NH2+]CC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000843057361 588077680 /nfs/dbraw/zinc/07/76/80/588077680.db2.gz JGNABIYNHHRBFY-UHFFFAOYSA-N 2 2 235.375 1.712 20 10 BDCDLP C[NH2+]CC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000843057361 588077682 /nfs/dbraw/zinc/07/76/82/588077682.db2.gz JGNABIYNHHRBFY-UHFFFAOYSA-N 2 2 235.375 1.712 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H](Nc2ccc([NH3+])cc2)C1 ZINC000843126669 588084704 /nfs/dbraw/zinc/08/47/04/588084704.db2.gz SOEGIIHVRNLVDY-JOYOIKCWSA-N 2 2 205.305 1.679 20 10 BDCDLP Nc1ccc([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848715188 588407983 /nfs/dbraw/zinc/40/79/83/588407983.db2.gz PSWZBZUJYRCSDI-ZYHUDNBSSA-N 2 2 205.305 1.951 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000863482970 589292453 /nfs/dbraw/zinc/29/24/53/589292453.db2.gz JKCGVCRCOAHFAN-NWDGAFQWSA-N 2 2 238.306 1.761 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1c(O)cccc1OC ZINC000863645251 589307034 /nfs/dbraw/zinc/30/70/34/589307034.db2.gz UCACXGHOMIUNHY-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]CC[NH+]1CCCC1 ZINC000877142040 590291737 /nfs/dbraw/zinc/29/17/37/590291737.db2.gz IIXZLCYZFVHCPA-UHFFFAOYSA-N 2 2 234.343 1.886 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000128864404 591170213 /nfs/dbraw/zinc/17/02/13/591170213.db2.gz LMCWZHNCFKZXKL-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000128864404 591170216 /nfs/dbraw/zinc/17/02/16/591170216.db2.gz LMCWZHNCFKZXKL-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162187702 632541675 /nfs/dbraw/zinc/54/16/75/632541675.db2.gz HSMYDNAVSBTCDV-LLVKDONJSA-N 2 2 221.348 1.450 20 10 BDCDLP C[NH2+]C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000310495305 632751394 /nfs/dbraw/zinc/75/13/94/632751394.db2.gz POABWXUCWONUHM-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP CCOc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC000310327574 634122074 /nfs/dbraw/zinc/12/20/74/634122074.db2.gz ZGYUFLQMXBNJLQ-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC000310327574 634122078 /nfs/dbraw/zinc/12/20/78/634122078.db2.gz ZGYUFLQMXBNJLQ-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000150072671 639300535 /nfs/dbraw/zinc/30/05/35/639300535.db2.gz IDSHHPOBDOBUNO-NSHDSACASA-N 2 2 206.289 1.186 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000150072671 639300540 /nfs/dbraw/zinc/30/05/40/639300540.db2.gz IDSHHPOBDOBUNO-NSHDSACASA-N 2 2 206.289 1.186 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001236900205 966615896 /nfs/dbraw/zinc/61/58/96/966615896.db2.gz QGAJIRIRXHLIQQ-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001236900205 966615905 /nfs/dbraw/zinc/61/59/05/966615905.db2.gz QGAJIRIRXHLIQQ-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000300050469 960875290 /nfs/dbraw/zinc/87/52/90/960875290.db2.gz ZYPCWCARTSHASX-BXKDBHETSA-N 2 2 236.315 1.180 20 10 BDCDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000300050469 960875291 /nfs/dbraw/zinc/87/52/91/960875291.db2.gz ZYPCWCARTSHASX-BXKDBHETSA-N 2 2 236.315 1.180 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204782444 967167676 /nfs/dbraw/zinc/16/76/76/967167676.db2.gz DNARCWOMKIZKTL-ZDUSSCGKSA-N 2 2 236.315 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204782444 967167684 /nfs/dbraw/zinc/16/76/84/967167684.db2.gz DNARCWOMKIZKTL-ZDUSSCGKSA-N 2 2 236.315 1.329 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc(F)ccc1O ZINC001205068743 967326796 /nfs/dbraw/zinc/32/67/96/967326796.db2.gz OFBCSZUOVAJPDG-CABZTGNLSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc(F)ccc1O ZINC001205068743 967326806 /nfs/dbraw/zinc/32/68/06/967326806.db2.gz OFBCSZUOVAJPDG-CABZTGNLSA-N 2 2 238.306 1.843 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001235981685 979259823 /nfs/dbraw/zinc/25/98/23/979259823.db2.gz RUSKZACINQFDGD-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001235981685 979259832 /nfs/dbraw/zinc/25/98/32/979259832.db2.gz RUSKZACINQFDGD-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755959 /nfs/dbraw/zinc/75/59/59/979755959.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755962 /nfs/dbraw/zinc/75/59/62/979755962.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755970 /nfs/dbraw/zinc/75/59/70/979755970.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755979 /nfs/dbraw/zinc/75/59/79/979755979.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 2 2 246.354 1.918 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(O)ccc1O ZINC001236868713 979771800 /nfs/dbraw/zinc/77/18/00/979771800.db2.gz GTFUUQMICWXPLV-JTQLQIEISA-N 2 2 224.304 1.267 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(O)ccc1O ZINC001236868713 979771806 /nfs/dbraw/zinc/77/18/06/979771806.db2.gz GTFUUQMICWXPLV-JTQLQIEISA-N 2 2 224.304 1.267 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[NH2+]1 ZINC001579616698 986125860 /nfs/dbraw/zinc/12/58/60/986125860.db2.gz DXNAVJGHSPXIGK-ZDUSSCGKSA-N 2 2 233.359 1.513 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C[NH2+]1 ZINC001246170481 987532017 /nfs/dbraw/zinc/53/20/17/987532017.db2.gz KRNDNBPBSKZQQK-GXFFZTMASA-N 2 2 219.332 1.499 20 10 BDCDLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000050227657 350192404 /nfs/dbraw/zinc/19/24/04/350192404.db2.gz KAUWTBDKRLVVCY-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000050227657 350192407 /nfs/dbraw/zinc/19/24/07/350192407.db2.gz KAUWTBDKRLVVCY-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP Oc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020506312 183302527 /nfs/dbraw/zinc/30/25/27/183302527.db2.gz OXEFTYXMHAPZPF-UHFFFAOYSA-N 2 2 231.299 1.769 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000853249545 588728861 /nfs/dbraw/zinc/72/88/61/588728861.db2.gz RCLPBMGNDACWKH-MRVPVSSYSA-N 2 2 228.723 1.743 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000853249155 588729056 /nfs/dbraw/zinc/72/90/56/588729056.db2.gz NWZCTDXPJFERKT-SSDOTTSWSA-N 2 2 246.713 1.882 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000853249349 588729236 /nfs/dbraw/zinc/72/92/36/588729236.db2.gz PXKPUKBCCPLSFB-NSHDSACASA-N 2 2 222.332 1.707 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1c(O)cccc1Cl ZINC000841038125 584083103 /nfs/dbraw/zinc/08/31/03/584083103.db2.gz WUDJHUPOPLYHKP-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP COc1cccc(O)c1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903960291 584828507 /nfs/dbraw/zinc/82/85/07/584828507.db2.gz CFZBRELQINXCKF-MWLCHTKSSA-N 2 2 236.315 1.098 20 10 BDCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945303 586845896 /nfs/dbraw/zinc/84/58/96/586845896.db2.gz ZBPSFXMPMBJCFF-WPRPVWTQSA-N 2 2 224.279 1.544 20 10 BDCDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944914 586846375 /nfs/dbraw/zinc/84/63/75/586846375.db2.gz OYTKDFREGPLTGM-PWSUYJOCSA-N 2 2 220.316 1.795 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000841037153 587937924 /nfs/dbraw/zinc/93/79/24/587937924.db2.gz PFWPYSHPCSSPKB-UHFFFAOYSA-N 2 2 228.723 1.663 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036715 587938150 /nfs/dbraw/zinc/93/81/50/587938150.db2.gz WGRBEZAYUHWODN-LLVKDONJSA-N 2 2 240.734 1.887 20 10 BDCDLP [NH3+][C@@H](C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000841048938 587940188 /nfs/dbraw/zinc/94/01/88/587940188.db2.gz HHAGRDNMHTXYPV-NSHDSACASA-N 2 2 240.734 1.873 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058453 587940811 /nfs/dbraw/zinc/94/08/11/587940811.db2.gz HEMWVDSLODJIKO-JOYOIKCWSA-N 2 2 238.306 1.619 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H](C)C[NH3+])c(Cl)c1 ZINC000841065363 587941778 /nfs/dbraw/zinc/94/17/78/587941778.db2.gz BKBVHYVYIMNNAD-QMMMGPOBSA-N 2 2 228.723 1.791 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000841065573 587942446 /nfs/dbraw/zinc/94/24/46/587942446.db2.gz QRLQCXLMLDMUDE-AAEUAGOBSA-N 2 2 234.343 1.931 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841078577 587944600 /nfs/dbraw/zinc/94/46/00/587944600.db2.gz JEBGNQLJTYYGRG-UWVGGRQHSA-N 2 2 242.269 1.321 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077231 587945096 /nfs/dbraw/zinc/94/50/96/587945096.db2.gz FINBWUMBNZEGNG-JZYVYDRUSA-N 2 2 238.718 1.353 20 10 BDCDLP Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841077575 587945133 /nfs/dbraw/zinc/94/51/33/587945133.db2.gz BURCXSLURNCRRT-RYUDHWBXSA-N 2 2 238.306 1.490 20 10 BDCDLP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC000843047424 588076109 /nfs/dbraw/zinc/07/61/09/588076109.db2.gz UXUVONKJKSFTFN-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC000843047424 588076111 /nfs/dbraw/zinc/07/61/11/588076111.db2.gz UXUVONKJKSFTFN-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP Cc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000843054508 588076907 /nfs/dbraw/zinc/07/69/07/588076907.db2.gz OZFPJGYNKAOMOC-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000843054508 588076909 /nfs/dbraw/zinc/07/69/09/588076909.db2.gz OZFPJGYNKAOMOC-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP C[NH2+]C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843049728 588077019 /nfs/dbraw/zinc/07/70/19/588077019.db2.gz UUDAFHGRPRQCAX-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000846701861 588283609 /nfs/dbraw/zinc/28/36/09/588283609.db2.gz DUANCMORAXKYFR-MWLCHTKSSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000846701861 588283610 /nfs/dbraw/zinc/28/36/10/588283610.db2.gz DUANCMORAXKYFR-MWLCHTKSSA-N 2 2 238.306 1.843 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863652797 589305989 /nfs/dbraw/zinc/30/59/89/589305989.db2.gz WZCQZQPXAGDPGT-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863652797 589305990 /nfs/dbraw/zinc/30/59/90/589305990.db2.gz WZCQZQPXAGDPGT-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP CC(C)[C@@H](C[NH3+])C[NH2+]c1ccc(N)cc1 ZINC000873210571 589993758 /nfs/dbraw/zinc/99/37/58/589993758.db2.gz KGPWTIFSUFGIND-JTQLQIEISA-N 2 2 207.321 1.912 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000128873090 591172104 /nfs/dbraw/zinc/17/21/04/591172104.db2.gz FNHKIBQONQSDNI-CYBMUJFWSA-N 2 2 233.359 1.546 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000128873090 591172107 /nfs/dbraw/zinc/17/21/07/591172107.db2.gz FNHKIBQONQSDNI-CYBMUJFWSA-N 2 2 233.359 1.546 20 10 BDCDLP COc1cc(Cl)cc(C[N@H+](C)CC[NH3+])c1O ZINC000132388650 591705484 /nfs/dbraw/zinc/70/54/84/591705484.db2.gz NHYSYPKRCPDPOB-UHFFFAOYSA-N 2 2 244.722 1.445 20 10 BDCDLP COc1cc(Cl)cc(C[N@@H+](C)CC[NH3+])c1O ZINC000132388650 591705488 /nfs/dbraw/zinc/70/54/88/591705488.db2.gz NHYSYPKRCPDPOB-UHFFFAOYSA-N 2 2 244.722 1.445 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234265214 635552325 /nfs/dbraw/zinc/55/23/25/635552325.db2.gz GHFAYZIWMKDTNV-CYBMUJFWSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923291049 644325283 /nfs/dbraw/zinc/32/52/83/644325283.db2.gz AEQPCPQFPBSMKI-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923291049 644325292 /nfs/dbraw/zinc/32/52/92/644325292.db2.gz AEQPCPQFPBSMKI-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412915 644414578 /nfs/dbraw/zinc/41/45/78/644414578.db2.gz KYJIUBWCPIEFQH-GXTWGEPZSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412915 644414582 /nfs/dbraw/zinc/41/45/82/644414582.db2.gz KYJIUBWCPIEFQH-GXTWGEPZSA-N 2 2 247.386 1.983 20 10 BDCDLP C[N@H+](Cc1c(O)cccc1Cl)C1CC([NH3+])C1 ZINC000384866977 710998796 /nfs/dbraw/zinc/99/87/96/710998796.db2.gz OAGHPEIJUOKUFK-UHFFFAOYSA-N 2 2 240.734 1.967 20 10 BDCDLP C[N@@H+](Cc1c(O)cccc1Cl)C1CC([NH3+])C1 ZINC000384866977 710998797 /nfs/dbraw/zinc/99/87/97/710998797.db2.gz OAGHPEIJUOKUFK-UHFFFAOYSA-N 2 2 240.734 1.967 20 10 BDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000382973148 710976018 /nfs/dbraw/zinc/97/60/18/710976018.db2.gz HBDCMDUNTCSMBS-LLVKDONJSA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000382973148 710976022 /nfs/dbraw/zinc/97/60/22/710976022.db2.gz HBDCMDUNTCSMBS-LLVKDONJSA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C[NH2+]1 ZINC000398953720 711417320 /nfs/dbraw/zinc/41/73/20/711417320.db2.gz GAIJVANITSRWKI-PWSUYJOCSA-N 2 2 220.316 1.622 20 10 BDCDLP C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871380 973240675 /nfs/dbraw/zinc/24/06/75/973240675.db2.gz YWGLXFMBTHVDJX-YPMHNXCESA-N 2 2 246.354 1.891 20 10 BDCDLP C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871380 973240695 /nfs/dbraw/zinc/24/06/95/973240695.db2.gz YWGLXFMBTHVDJX-YPMHNXCESA-N 2 2 246.354 1.891 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001235981684 979257224 /nfs/dbraw/zinc/25/72/24/979257224.db2.gz RUSKZACINQFDGD-GWCFXTLKSA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001235981684 979257242 /nfs/dbraw/zinc/25/72/42/979257242.db2.gz RUSKZACINQFDGD-GWCFXTLKSA-N 2 2 234.299 1.021 20 10 BDCDLP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981711 979259797 /nfs/dbraw/zinc/25/97/97/979259797.db2.gz SACUFKFPBQGXAG-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981711 979259807 /nfs/dbraw/zinc/25/98/07/979259807.db2.gz SACUFKFPBQGXAG-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008909 979299133 /nfs/dbraw/zinc/29/91/33/979299133.db2.gz JSCKMNIDNIMMRO-CQSZACIVSA-N 2 2 233.359 1.843 20 10 BDCDLP CC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008909 979299145 /nfs/dbraw/zinc/29/91/45/979299145.db2.gz JSCKMNIDNIMMRO-CQSZACIVSA-N 2 2 233.359 1.843 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(OC)c1O ZINC001236865328 979772241 /nfs/dbraw/zinc/77/22/41/979772241.db2.gz IZFGJLKBKPWTET-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OC)c1O ZINC001236865328 979772254 /nfs/dbraw/zinc/77/22/54/979772254.db2.gz IZFGJLKBKPWTET-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(N)cc1 ZINC001345159095 980569812 /nfs/dbraw/zinc/56/98/12/980569812.db2.gz BADPSEMCVPEBHB-SNVBAGLBSA-N 2 2 207.321 1.356 20 10 BDCDLP CCN(CC)c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000777398715 984310768 /nfs/dbraw/zinc/31/07/68/984310768.db2.gz OUAKEZVNSRUNLW-UHFFFAOYSA-N 2 2 235.375 1.923 20 10 BDCDLP CCN(CC)c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000777398715 984310776 /nfs/dbraw/zinc/31/07/76/984310776.db2.gz OUAKEZVNSRUNLW-UHFFFAOYSA-N 2 2 235.375 1.923 20 10 BDCDLP Oc1c(C[NH2+]C[C@@H]2CC[NH2+]2)ccc2ccccc21 ZINC001580885483 984618631 /nfs/dbraw/zinc/61/86/31/984618631.db2.gz ABRKXWJDEHOUEK-ZDUSSCGKSA-N 2 2 242.322 1.997 20 10 BDCDLP C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)[NH3+] ZINC000691993306 985111041 /nfs/dbraw/zinc/11/10/41/985111041.db2.gz QJBUFQRGCJZUQF-UHFFFAOYSA-N 2 2 226.295 1.700 20 10 BDCDLP C[N@@H+](Cc1cc(F)ccc1O)CC(C)(C)[NH3+] ZINC000691993306 985111052 /nfs/dbraw/zinc/11/10/52/985111052.db2.gz QJBUFQRGCJZUQF-UHFFFAOYSA-N 2 2 226.295 1.700 20 10 BDCDLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858805 988589485 /nfs/dbraw/zinc/58/94/85/988589485.db2.gz BWWFLEYWTIASJP-DGCLKSJQSA-N 2 2 234.343 1.965 20 10 BDCDLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858805 988589520 /nfs/dbraw/zinc/58/95/20/988589520.db2.gz BWWFLEYWTIASJP-DGCLKSJQSA-N 2 2 234.343 1.965 20 10 BDCDLP CN(C)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126715 342970473 /nfs/dbraw/zinc/97/04/73/342970473.db2.gz BYODYHMGHQQMFZ-UHFFFAOYSA-N 2 2 247.386 1.938 20 10 BDCDLP c1cn(CC[NH2+]Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000041066156 384178836 /nfs/dbraw/zinc/17/88/36/384178836.db2.gz BGHABWHHVWTGSZ-UHFFFAOYSA-N 2 2 243.310 1.608 20 10 BDCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3O)[C@@H]2C1 ZINC000272698310 173161200 /nfs/dbraw/zinc/16/12/00/173161200.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3O)[C@@H]2C1 ZINC000272698310 173161203 /nfs/dbraw/zinc/16/12/03/173161203.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272698310 173161206 /nfs/dbraw/zinc/16/12/06/173161206.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272698310 173161208 /nfs/dbraw/zinc/16/12/08/173161208.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1C ZINC000042545918 175110108 /nfs/dbraw/zinc/11/01/08/175110108.db2.gz KLABIGYMNDUEKP-CYBMUJFWSA-N 2 2 234.343 1.797 20 10 BDCDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1C ZINC000042545918 175110109 /nfs/dbraw/zinc/11/01/09/175110109.db2.gz KLABIGYMNDUEKP-CYBMUJFWSA-N 2 2 234.343 1.797 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000853248811 588728770 /nfs/dbraw/zinc/72/87/70/588728770.db2.gz KJLGMMHKAVTBTG-MRVPVSSYSA-N 2 2 212.268 1.229 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cccc(Cl)c1O ZINC000841037265 584072669 /nfs/dbraw/zinc/07/26/69/584072669.db2.gz VIUJZQPFVUUKML-UHFFFAOYSA-N 2 2 214.696 1.355 20 10 BDCDLP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841042009 584119544 /nfs/dbraw/zinc/11/95/44/584119544.db2.gz KRVTWBKNVQAQRR-UHFFFAOYSA-N 2 2 246.713 1.884 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045067 584122438 /nfs/dbraw/zinc/12/24/38/584122438.db2.gz NBFDBFHDSDZRFB-SECBINFHSA-N 2 2 240.734 1.806 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1O ZINC000841059059 584125695 /nfs/dbraw/zinc/12/56/95/584125695.db2.gz LHRFRMQUBYLLIB-CMPLNLGQSA-N 2 2 220.316 1.480 20 10 BDCDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1O ZINC000902478521 584603776 /nfs/dbraw/zinc/60/37/76/584603776.db2.gz YEGRXDCRTNPZJX-JULQROHOSA-N 2 2 232.327 1.936 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccccc1O ZINC000903960520 584828378 /nfs/dbraw/zinc/82/83/78/584828378.db2.gz NPHRYUXGRHYUFC-MWLCHTKSSA-N 2 2 206.289 1.090 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049416 585501231 /nfs/dbraw/zinc/50/12/31/585501231.db2.gz ROEUHOPQVGYQPW-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049416 585501232 /nfs/dbraw/zinc/50/12/32/585501232.db2.gz ROEUHOPQVGYQPW-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817940460 586845462 /nfs/dbraw/zinc/84/54/62/586845462.db2.gz MTAXKBGKAVSHKL-QMMMGPOBSA-N 2 2 244.285 1.931 20 10 BDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000817944778 586845802 /nfs/dbraw/zinc/84/58/02/586845802.db2.gz LRCLZLLCIOMEPU-GHMZBOCLSA-N 2 2 220.316 1.713 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944971 586845832 /nfs/dbraw/zinc/84/58/32/586845832.db2.gz QLHSIDGVMVKUSC-VXNVDRBHSA-N 2 2 242.269 1.683 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817951315 586848351 /nfs/dbraw/zinc/84/83/51/586848351.db2.gz DFHHVKYRHCWEJQ-LLVKDONJSA-N 2 2 220.316 1.579 20 10 BDCDLP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000841026836 587936399 /nfs/dbraw/zinc/93/63/99/587936399.db2.gz RTKVWAZXPBZZNX-OCCSQVGLSA-N 2 2 246.354 1.803 20 10 BDCDLP Cc1cc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000841026836 587936400 /nfs/dbraw/zinc/93/64/00/587936400.db2.gz RTKVWAZXPBZZNX-OCCSQVGLSA-N 2 2 246.354 1.803 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(F)ccc1O ZINC000841037172 587937732 /nfs/dbraw/zinc/93/77/32/587937732.db2.gz POWJGLDYGRYQAB-UHFFFAOYSA-N 2 2 212.268 1.230 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1c(O)cccc1Cl ZINC000841036092 587937749 /nfs/dbraw/zinc/93/77/49/587937749.db2.gz OKOVFDYVXNJIFG-UHFFFAOYSA-N 2 2 214.696 1.355 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043871 587939204 /nfs/dbraw/zinc/93/92/04/587939204.db2.gz YBUWOJJOZLFIIP-CQSZACIVSA-N 2 2 247.386 1.903 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000841045293 587939240 /nfs/dbraw/zinc/93/92/40/587939240.db2.gz RWMBHNISLYVOCP-LLVKDONJSA-N 2 2 206.289 1.152 20 10 BDCDLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000843049927 588077304 /nfs/dbraw/zinc/07/73/04/588077304.db2.gz YVNSBGLASAPAQX-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000843049927 588077305 /nfs/dbraw/zinc/07/73/05/588077305.db2.gz YVNSBGLASAPAQX-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP Oc1ccccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055665 588077786 /nfs/dbraw/zinc/07/77/86/588077786.db2.gz MWANMJPRPMBPIP-CYBMUJFWSA-N 2 2 232.327 1.719 20 10 BDCDLP Oc1ccccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055665 588077788 /nfs/dbraw/zinc/07/77/88/588077788.db2.gz MWANMJPRPMBPIP-CYBMUJFWSA-N 2 2 232.327 1.719 20 10 BDCDLP [NH3+]c1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000873211135 589990045 /nfs/dbraw/zinc/99/00/45/589990045.db2.gz WHCULSWEILTPBK-UHFFFAOYSA-N 2 2 203.289 1.433 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1O ZINC000124729843 590079808 /nfs/dbraw/zinc/07/98/08/590079808.db2.gz LDXJVRHRIIJWEL-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1O ZINC000124729843 590079810 /nfs/dbraw/zinc/07/98/10/590079810.db2.gz LDXJVRHRIIJWEL-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000877019458 590269980 /nfs/dbraw/zinc/26/99/80/590269980.db2.gz MQGXBXRWLOEXRE-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)c(O)c1 ZINC000877019458 590269981 /nfs/dbraw/zinc/26/99/81/590269981.db2.gz MQGXBXRWLOEXRE-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050362 592501602 /nfs/dbraw/zinc/50/16/02/592501602.db2.gz ZEHABPDOEIDVAI-BXKDBHETSA-N 2 2 236.315 1.180 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050362 592501605 /nfs/dbraw/zinc/50/16/05/592501605.db2.gz ZEHABPDOEIDVAI-BXKDBHETSA-N 2 2 236.315 1.180 20 10 BDCDLP Oc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041050913 636957578 /nfs/dbraw/zinc/95/75/78/636957578.db2.gz IWNILFHPEHJARA-UHFFFAOYSA-N 2 2 217.272 1.379 20 10 BDCDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccccc1O ZINC000904462115 637406037 /nfs/dbraw/zinc/40/60/37/637406037.db2.gz HNGYZTATWOEAGS-LBPRGKRZSA-N 2 2 220.316 1.480 20 10 BDCDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccccc1O ZINC000904462114 637407031 /nfs/dbraw/zinc/40/70/31/637407031.db2.gz HNGYZTATWOEAGS-GFCCVEGCSA-N 2 2 220.316 1.480 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366133 644377814 /nfs/dbraw/zinc/37/78/14/644377814.db2.gz JUERLLQJZJKZRZ-GXTWGEPZSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366133 644377819 /nfs/dbraw/zinc/37/78/19/644377819.db2.gz JUERLLQJZJKZRZ-GXTWGEPZSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923366134 644378316 /nfs/dbraw/zinc/37/83/16/644378316.db2.gz JUERLLQJZJKZRZ-JSGCOSHPSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923366134 644378320 /nfs/dbraw/zinc/37/83/20/644378320.db2.gz JUERLLQJZJKZRZ-JSGCOSHPSA-N 2 2 247.386 1.840 20 10 BDCDLP COc1ccc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000382993413 711905409 /nfs/dbraw/zinc/90/54/09/711905409.db2.gz FNSGCDVBUFZTHI-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000382993413 711905410 /nfs/dbraw/zinc/90/54/10/711905410.db2.gz FNSGCDVBUFZTHI-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436411 972480333 /nfs/dbraw/zinc/48/03/33/972480333.db2.gz XNTWVGVWSNDJNJ-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436411 972480337 /nfs/dbraw/zinc/48/03/37/972480337.db2.gz XNTWVGVWSNDJNJ-OAHLLOKOSA-N 2 2 245.370 1.987 20 10 BDCDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001235994756 966219498 /nfs/dbraw/zinc/21/94/98/966219498.db2.gz QCJUIBPVYRBYJO-ZWNOBZJWSA-N 2 2 236.290 1.454 20 10 BDCDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001235994756 966219514 /nfs/dbraw/zinc/21/95/14/966219514.db2.gz QCJUIBPVYRBYJO-ZWNOBZJWSA-N 2 2 236.290 1.454 20 10 BDCDLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236418397 979589751 /nfs/dbraw/zinc/58/97/51/979589751.db2.gz HIUANSAPKQHXJR-GXFFZTMASA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001236418397 979589758 /nfs/dbraw/zinc/58/97/58/979589758.db2.gz HIUANSAPKQHXJR-GXFFZTMASA-N 2 2 219.332 1.580 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)cc1O ZINC001236864791 979768145 /nfs/dbraw/zinc/76/81/45/979768145.db2.gz FGIHHNPVDVXTKR-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)cc1O ZINC001236864791 979768149 /nfs/dbraw/zinc/76/81/49/979768149.db2.gz FGIHHNPVDVXTKR-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP Nc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC001345159463 980569230 /nfs/dbraw/zinc/56/92/30/980569230.db2.gz HANWSTLJYODUGB-CYBMUJFWSA-N 2 2 219.332 1.501 20 10 BDCDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001577771100 984784305 /nfs/dbraw/zinc/78/43/05/984784305.db2.gz RORPTLMPVVHDQJ-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001577771100 984784342 /nfs/dbraw/zinc/78/43/42/984784342.db2.gz RORPTLMPVVHDQJ-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP Nc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246170947 987532925 /nfs/dbraw/zinc/53/29/25/987532925.db2.gz PDBZWOMMVKDYFB-CYBMUJFWSA-N 2 2 219.332 1.501 20 10 BDCDLP C[N@H+](CC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001117956155 987968804 /nfs/dbraw/zinc/96/88/04/987968804.db2.gz NVTUNTXTMFPCRZ-UHFFFAOYSA-N 2 2 233.359 1.677 20 10 BDCDLP C[N@@H+](CC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001117956155 987968815 /nfs/dbraw/zinc/96/88/15/987968815.db2.gz NVTUNTXTMFPCRZ-UHFFFAOYSA-N 2 2 233.359 1.677 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1ccc(N)cc1 ZINC001120371284 989645417 /nfs/dbraw/zinc/64/54/17/989645417.db2.gz UMOUHIYPFAURPO-UHFFFAOYSA-N 2 2 207.321 1.358 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000083380706 183275390 /nfs/dbraw/zinc/27/53/90/183275390.db2.gz XFQDVVNSLCCJLJ-UHFFFAOYSA-N 2 2 249.289 1.908 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228718262 169259732 /nfs/dbraw/zinc/25/97/32/169259732.db2.gz DFHPLEGRZDGJAV-UHFFFAOYSA-N 2 2 234.343 1.711 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000853248705 588727252 /nfs/dbraw/zinc/72/72/52/588727252.db2.gz IQOSBJIXJUPOCW-QMMMGPOBSA-N 2 2 212.268 1.229 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000854233097 588781497 /nfs/dbraw/zinc/78/14/97/588781497.db2.gz XMEXQAOZVZJPAM-WDEREUQCSA-N 2 2 222.332 1.959 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000854232470 588781550 /nfs/dbraw/zinc/78/15/50/588781550.db2.gz QUBXYVCTTFBWAG-KOLCDFICSA-N 2 2 220.316 1.577 20 10 BDCDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1O ZINC000902408158 584575113 /nfs/dbraw/zinc/57/51/13/584575113.db2.gz XHNRYSFAHYHBKH-MRVPVSSYSA-N 2 2 224.279 1.673 20 10 BDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841086333 584883775 /nfs/dbraw/zinc/88/37/75/584883775.db2.gz NBFNINSPLADPTF-CQSZACIVSA-N 2 2 246.354 1.852 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817951987 586847635 /nfs/dbraw/zinc/84/76/35/586847635.db2.gz MMTDSDPECMJLBH-NSHDSACASA-N 2 2 222.332 1.961 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)ccc1O ZINC000817970049 586856660 /nfs/dbraw/zinc/85/66/60/586856660.db2.gz KHDXHVNKKFDADO-JGVFFNPUSA-N 2 2 212.268 1.529 20 10 BDCDLP CC(C)([NH3+])C[NH2+]Cc1c(O)cccc1Cl ZINC000841031598 587936092 /nfs/dbraw/zinc/93/60/92/587936092.db2.gz XOYFVJNVJPNHDK-UHFFFAOYSA-N 2 2 228.723 1.873 20 10 BDCDLP Cc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000841033622 587937060 /nfs/dbraw/zinc/93/70/60/587937060.db2.gz YCLKGVALSPZMEM-CYBMUJFWSA-N 2 2 234.343 1.932 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000841041657 587938516 /nfs/dbraw/zinc/93/85/16/587938516.db2.gz CWECPXMCTCPBJO-ZDUSSCGKSA-N 2 2 234.343 1.851 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044219 587938938 /nfs/dbraw/zinc/93/89/38/587938938.db2.gz BOAOGUSNEMZZIO-SECBINFHSA-N 2 2 226.707 1.497 20 10 BDCDLP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000841045488 587939078 /nfs/dbraw/zinc/93/90/78/587939078.db2.gz WJEULSHDCWYREH-VQTKUKTRSA-N 2 2 245.370 1.717 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000841045632 587939248 /nfs/dbraw/zinc/93/92/48/587939248.db2.gz ZWYXNAGDOWFGML-LLVKDONJSA-N 2 2 206.289 1.152 20 10 BDCDLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000841045087 587939289 /nfs/dbraw/zinc/93/92/89/587939289.db2.gz OFGVIADWYRCUCC-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000841064873 587941750 /nfs/dbraw/zinc/94/17/50/587941750.db2.gz DEZQXOCNTCDDJO-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000841066788 587942340 /nfs/dbraw/zinc/94/23/40/587942340.db2.gz WJTKVHOFMKVNTN-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841071393 587942576 /nfs/dbraw/zinc/94/25/76/587942576.db2.gz FTAHEMBXOHZEQD-SECBINFHSA-N 2 2 212.268 1.358 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000841077402 587944847 /nfs/dbraw/zinc/94/48/47/587944847.db2.gz AQWDMKUHLIUVEU-RYUDHWBXSA-N 2 2 238.306 1.490 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@H+](C)CC[NH3+])cc1 ZINC000841101264 587946418 /nfs/dbraw/zinc/94/64/18/587946418.db2.gz UUMJYAJSFQTPJI-SNAWJCMRSA-N 2 2 233.359 1.656 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@@H+](C)CC[NH3+])cc1 ZINC000841101264 587946419 /nfs/dbraw/zinc/94/64/19/587946419.db2.gz UUMJYAJSFQTPJI-SNAWJCMRSA-N 2 2 233.359 1.656 20 10 BDCDLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843043699 588075235 /nfs/dbraw/zinc/07/52/35/588075235.db2.gz DCFGRELQECGGIA-SNVBAGLBSA-N 2 2 224.279 1.454 20 10 BDCDLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843043699 588075237 /nfs/dbraw/zinc/07/52/37/588075237.db2.gz DCFGRELQECGGIA-SNVBAGLBSA-N 2 2 224.279 1.454 20 10 BDCDLP [NH3+]C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000843047756 588075839 /nfs/dbraw/zinc/07/58/39/588075839.db2.gz ZVEAUJRRPGFPKS-UHFFFAOYSA-N 2 2 240.734 1.969 20 10 BDCDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843053366 588076865 /nfs/dbraw/zinc/07/68/65/588076865.db2.gz XZYFYXWZAICXCT-SNVBAGLBSA-N 2 2 238.306 1.573 20 10 BDCDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843053366 588076866 /nfs/dbraw/zinc/07/68/66/588076866.db2.gz XZYFYXWZAICXCT-SNVBAGLBSA-N 2 2 238.306 1.573 20 10 BDCDLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000863486611 589293282 /nfs/dbraw/zinc/29/32/82/589293282.db2.gz BFKHGBBCGISGBJ-WCQYABFASA-N 2 2 234.343 1.844 20 10 BDCDLP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863486819 589293321 /nfs/dbraw/zinc/29/33/21/589293321.db2.gz FTGCWIBAENMYJA-JOYOIKCWSA-N 2 2 236.315 1.241 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000128873302 591172077 /nfs/dbraw/zinc/17/20/77/591172077.db2.gz FNHKIBQONQSDNI-ZDUSSCGKSA-N 2 2 233.359 1.546 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000128873302 591172082 /nfs/dbraw/zinc/17/20/82/591172082.db2.gz FNHKIBQONQSDNI-ZDUSSCGKSA-N 2 2 233.359 1.546 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334492 592507599 /nfs/dbraw/zinc/50/75/99/592507599.db2.gz ZDRICQJKBPTZCJ-LDYMZIIASA-N 2 2 224.279 1.310 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334492 592507601 /nfs/dbraw/zinc/50/76/01/592507601.db2.gz ZDRICQJKBPTZCJ-LDYMZIIASA-N 2 2 224.279 1.310 20 10 BDCDLP Oc1ccccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000236564371 635601836 /nfs/dbraw/zinc/60/18/36/635601836.db2.gz IXSDPYCEWSQMMZ-LBPRGKRZSA-N 2 2 220.316 1.624 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000904465196 637408472 /nfs/dbraw/zinc/40/84/72/637408472.db2.gz YTIGSDQAQPPRQN-AWEZNQCLSA-N 2 2 247.386 1.840 20 10 BDCDLP [NH3+]C1CC([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000906511204 638183393 /nfs/dbraw/zinc/18/33/93/638183393.db2.gz YHJOKKWEURQRIP-UHFFFAOYSA-N 2 2 244.697 1.764 20 10 BDCDLP C[NH2+][C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000071409480 643141317 /nfs/dbraw/zinc/14/13/17/643141317.db2.gz LTHUUAPYABAPAB-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409480 643141324 /nfs/dbraw/zinc/14/13/24/643141324.db2.gz LTHUUAPYABAPAB-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP c1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000084565847 644427946 /nfs/dbraw/zinc/42/79/46/644427946.db2.gz PNUUPBHXFKBHRI-CQSZACIVSA-N 2 2 246.354 1.853 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000161330604 711811536 /nfs/dbraw/zinc/81/15/36/711811536.db2.gz GFUQSYHKPBYXQT-UHFFFAOYSA-N 2 2 221.348 1.452 20 10 BDCDLP COc1ccc(O)c(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000382993412 711905519 /nfs/dbraw/zinc/90/55/19/711905519.db2.gz FNSGCDVBUFZTHI-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1ccc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000382993412 711905521 /nfs/dbraw/zinc/90/55/21/711905521.db2.gz FNSGCDVBUFZTHI-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832523 712868860 /nfs/dbraw/zinc/86/88/60/712868860.db2.gz ASHIHPUJNFDLRV-CQSZACIVSA-N 2 2 247.386 1.922 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832523 712868863 /nfs/dbraw/zinc/86/88/63/712868863.db2.gz ASHIHPUJNFDLRV-CQSZACIVSA-N 2 2 247.386 1.922 20 10 BDCDLP Nc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC001345159464 980568930 /nfs/dbraw/zinc/56/89/30/980568930.db2.gz HANWSTLJYODUGB-ZDUSSCGKSA-N 2 2 219.332 1.501 20 10 BDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(F)ccc1O ZINC000383004250 966931820 /nfs/dbraw/zinc/93/18/20/966931820.db2.gz YPRMLWUEURWVTI-QMMMGPOBSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(F)ccc1O ZINC000383004250 966931831 /nfs/dbraw/zinc/93/18/31/966931831.db2.gz YPRMLWUEURWVTI-QMMMGPOBSA-N 2 2 212.268 1.310 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074280 978968984 /nfs/dbraw/zinc/96/89/84/978968984.db2.gz ZIOOQWFTPXZWDQ-VXGBXAGGSA-N 2 2 218.300 1.328 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074280 978968987 /nfs/dbraw/zinc/96/89/87/978968987.db2.gz ZIOOQWFTPXZWDQ-VXGBXAGGSA-N 2 2 218.300 1.328 20 10 BDCDLP Nc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235218729 979001186 /nfs/dbraw/zinc/00/11/86/979001186.db2.gz JUMNJHFEPAIIIC-OCCSQVGLSA-N 2 2 231.343 1.453 20 10 BDCDLP Nc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235218729 979001191 /nfs/dbraw/zinc/00/11/91/979001191.db2.gz JUMNJHFEPAIIIC-OCCSQVGLSA-N 2 2 231.343 1.453 20 10 BDCDLP COc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981710 979257179 /nfs/dbraw/zinc/25/71/79/979257179.db2.gz SACUFKFPBQGXAG-RISCZKNCSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981710 979257195 /nfs/dbraw/zinc/25/71/95/979257195.db2.gz SACUFKFPBQGXAG-RISCZKNCSA-N 2 2 248.326 1.324 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001236904430 979790961 /nfs/dbraw/zinc/79/09/61/979790961.db2.gz MRJQAJMPELUWJG-ZETCQYMHSA-N 2 2 244.722 1.530 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001236904430 979790972 /nfs/dbraw/zinc/79/09/72/979790972.db2.gz MRJQAJMPELUWJG-ZETCQYMHSA-N 2 2 244.722 1.530 20 10 BDCDLP Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246170973 987530694 /nfs/dbraw/zinc/53/06/94/987530694.db2.gz PLHGRBNVWXYNKG-GFCCVEGCSA-N 2 2 205.305 1.110 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C[NH2+]1 ZINC001246239586 987638432 /nfs/dbraw/zinc/63/84/32/987638432.db2.gz KEMZZSIDPVQTKE-KOLCDFICSA-N 2 2 236.315 1.328 20 10 BDCDLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000383285247 993487652 /nfs/dbraw/zinc/48/76/52/993487652.db2.gz LWMRUONMZPJVNT-BXKDBHETSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000383285247 993487655 /nfs/dbraw/zinc/48/76/55/993487655.db2.gz LWMRUONMZPJVNT-BXKDBHETSA-N 2 2 236.315 1.322 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020215729 342977724 /nfs/dbraw/zinc/97/77/24/342977724.db2.gz PWDDGNYRIOGBQC-ZDUSSCGKSA-N 2 2 233.359 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020215729 342977727 /nfs/dbraw/zinc/97/77/27/342977727.db2.gz PWDDGNYRIOGBQC-ZDUSSCGKSA-N 2 2 233.359 1.676 20 10 BDCDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1O ZINC000041119232 384177952 /nfs/dbraw/zinc/17/79/52/384177952.db2.gz HZFUMHDAWLPZMN-NSHDSACASA-N 2 2 231.299 1.940 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000161317203 170115518 /nfs/dbraw/zinc/11/55/18/170115518.db2.gz YJGCBQXFBAZFGO-UHFFFAOYSA-N 2 2 220.316 1.321 20 10 BDCDLP COc1cccc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000041119122 175264458 /nfs/dbraw/zinc/26/44/58/175264458.db2.gz OUCLSMRSSPSATM-UHFFFAOYSA-N 2 2 247.298 1.387 20 10 BDCDLP CCOc1cccc(C[NH2+][C@@H](C)C[NH2+]C)c1O ZINC000853248083 588729022 /nfs/dbraw/zinc/72/90/22/588729022.db2.gz AKKSPAXJUNPWMU-JTQLQIEISA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000853248715 588729031 /nfs/dbraw/zinc/72/90/31/588729031.db2.gz IVWYSDLXQDSXSR-VIFPVBQESA-N 2 2 224.304 1.098 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000854231699 588781247 /nfs/dbraw/zinc/78/12/47/588781247.db2.gz JYUAWASRADADPQ-DTWKUNHWSA-N 2 2 226.295 1.790 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000854231102 588781276 /nfs/dbraw/zinc/78/12/76/588781276.db2.gz DTCFXQOFXRBPGM-IUCAKERBSA-N 2 2 226.295 1.790 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944413 586846382 /nfs/dbraw/zinc/84/63/82/586846382.db2.gz BHAQGXOCSNXNLP-WCQYABFASA-N 2 2 233.359 1.765 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945072 586846573 /nfs/dbraw/zinc/84/65/73/586846573.db2.gz SPMLADFWIXWHQA-WCBMZHEXSA-N 2 2 224.279 1.544 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817951978 586848186 /nfs/dbraw/zinc/84/81/86/586848186.db2.gz MJQRQAZMDYCTIT-SECBINFHSA-N 2 2 226.295 1.791 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969217 586856760 /nfs/dbraw/zinc/85/67/60/586856760.db2.gz SDFDXCQHKTUGKH-RAIGVLPGSA-N 2 2 246.354 1.967 20 10 BDCDLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817970189 586857856 /nfs/dbraw/zinc/85/78/56/586857856.db2.gz NSIQBHHHRDHMIB-GZMMTYOYSA-N 2 2 226.295 1.919 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000841024986 587935286 /nfs/dbraw/zinc/93/52/86/587935286.db2.gz WGIOBFPXFFRXJC-LDYMZIIASA-N 2 2 240.734 1.967 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000841024986 587935287 /nfs/dbraw/zinc/93/52/87/587935287.db2.gz WGIOBFPXFFRXJC-LDYMZIIASA-N 2 2 240.734 1.967 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cccc(C)c1O ZINC000841035695 587937715 /nfs/dbraw/zinc/93/77/15/587937715.db2.gz JLMYHDNZEKZQPV-UHFFFAOYSA-N 2 2 208.305 1.400 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cccc(C)c1O ZINC000841046350 587939100 /nfs/dbraw/zinc/93/91/00/587939100.db2.gz AWKMWVYHRDIOQT-UHFFFAOYSA-N 2 2 222.332 1.790 20 10 BDCDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841045288 587939268 /nfs/dbraw/zinc/93/92/68/587939268.db2.gz RTGQZJGWHHTFKJ-SECBINFHSA-N 2 2 244.697 1.636 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057608 587940533 /nfs/dbraw/zinc/94/05/33/587940533.db2.gz ASTHZKSTMQGGJD-MFKMUULPSA-N 2 2 234.343 1.788 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1O ZINC000841066761 587942436 /nfs/dbraw/zinc/94/24/36/587942436.db2.gz VNQQKFZWILFVSD-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000841080720 587942718 /nfs/dbraw/zinc/94/27/18/587942718.db2.gz QFVUSOVYXAYLSC-HTQZYQBOSA-N 2 2 228.723 1.871 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045796 588075866 /nfs/dbraw/zinc/07/58/66/588075866.db2.gz WKJUASXXOAVTPX-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045796 588075868 /nfs/dbraw/zinc/07/58/68/588075868.db2.gz WKJUASXXOAVTPX-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000843047690 588076315 /nfs/dbraw/zinc/07/63/15/588076315.db2.gz VQJIQODKNIXVAU-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1CCC[NH2+]CC1 ZINC000843047690 588076316 /nfs/dbraw/zinc/07/63/16/588076316.db2.gz VQJIQODKNIXVAU-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP CCOc1ccc(C[N@H+](C)CC[NH2+]C)c(O)c1 ZINC000843057717 588078154 /nfs/dbraw/zinc/07/81/54/588078154.db2.gz RVXMEIFOUHMKNF-UHFFFAOYSA-N 2 2 238.331 1.442 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)CC[NH2+]C)c(O)c1 ZINC000843057717 588078156 /nfs/dbraw/zinc/07/81/56/588078156.db2.gz RVXMEIFOUHMKNF-UHFFFAOYSA-N 2 2 238.331 1.442 20 10 BDCDLP C[C@]1(F)C[NH2+]CC[N@H+](Cc2ccccc2O)C1 ZINC000843124403 588083765 /nfs/dbraw/zinc/08/37/65/588083765.db2.gz AEWFUQDWQFXORV-ZDUSSCGKSA-N 2 2 238.306 1.526 20 10 BDCDLP C[C@]1(F)C[NH2+]CC[N@@H+](Cc2ccccc2O)C1 ZINC000843124403 588083767 /nfs/dbraw/zinc/08/37/67/588083767.db2.gz AEWFUQDWQFXORV-ZDUSSCGKSA-N 2 2 238.306 1.526 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000877019730 590269984 /nfs/dbraw/zinc/26/99/84/590269984.db2.gz QACMBRFMRGQSAU-NSHDSACASA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000877019730 590269985 /nfs/dbraw/zinc/26/99/85/590269985.db2.gz QACMBRFMRGQSAU-NSHDSACASA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)c(O)c1 ZINC000877527828 590348861 /nfs/dbraw/zinc/34/88/61/590348861.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)c(O)c1 ZINC000877527828 590348864 /nfs/dbraw/zinc/34/88/64/590348864.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP C[NH+]1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000083366100 636872940 /nfs/dbraw/zinc/87/29/40/636872940.db2.gz DVKWGADEASJGNA-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923282872 644317480 /nfs/dbraw/zinc/31/74/80/644317480.db2.gz UYDKTIVCDBGCKN-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923282872 644317482 /nfs/dbraw/zinc/31/74/82/644317482.db2.gz UYDKTIVCDBGCKN-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP c1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000084516339 644426421 /nfs/dbraw/zinc/42/64/21/644426421.db2.gz XHDMOMAWLFUTIR-ZDUSSCGKSA-N 2 2 232.327 1.463 20 10 BDCDLP Cc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1O ZINC000381714516 710681982 /nfs/dbraw/zinc/68/19/82/710681982.db2.gz KVGCRVPACSWWBR-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1O ZINC000381714516 710681983 /nfs/dbraw/zinc/68/19/83/710681983.db2.gz KVGCRVPACSWWBR-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)ccc1O ZINC000383024968 710976518 /nfs/dbraw/zinc/97/65/18/710976518.db2.gz XSLPJHVSAJEUML-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000383024968 710976519 /nfs/dbraw/zinc/97/65/19/710976519.db2.gz XSLPJHVSAJEUML-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726133 711368385 /nfs/dbraw/zinc/36/83/85/711368385.db2.gz YSWDGASQCPBEAK-IUODEOHRSA-N 2 2 247.386 1.983 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222353749 972442941 /nfs/dbraw/zinc/44/29/41/972442941.db2.gz GOVZEIXTDBWHTH-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222353749 972442943 /nfs/dbraw/zinc/44/29/43/972442943.db2.gz GOVZEIXTDBWHTH-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc(O)ccc1O ZINC001205076798 965497265 /nfs/dbraw/zinc/49/72/65/965497265.db2.gz WCQRDDMGAFCNHF-ONGXEEELSA-N 2 2 236.315 1.409 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc(O)ccc1O ZINC001205076798 965497281 /nfs/dbraw/zinc/49/72/81/965497281.db2.gz WCQRDDMGAFCNHF-ONGXEEELSA-N 2 2 236.315 1.409 20 10 BDCDLP COc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165419 966015781 /nfs/dbraw/zinc/01/57/81/966015781.db2.gz JIWFEIKNNJSVFJ-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165419 966015792 /nfs/dbraw/zinc/01/57/92/966015792.db2.gz JIWFEIKNNJSVFJ-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001335288434 976929777 /nfs/dbraw/zinc/92/97/77/976929777.db2.gz FVNJPZYTAHVBET-LBPRGKRZSA-N 2 2 219.332 1.499 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236030090 979328841 /nfs/dbraw/zinc/32/88/41/979328841.db2.gz PQFDMEHZXZAXHH-FZMZJTMJSA-N 2 2 232.327 1.542 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236030090 979328859 /nfs/dbraw/zinc/32/88/59/979328859.db2.gz PQFDMEHZXZAXHH-FZMZJTMJSA-N 2 2 232.327 1.542 20 10 BDCDLP Oc1c(C[NH2+]C[C@H]2CC[NH2+]2)ccc2ccccc21 ZINC001580885482 984615240 /nfs/dbraw/zinc/61/52/40/984615240.db2.gz ABRKXWJDEHOUEK-CYBMUJFWSA-N 2 2 242.322 1.997 20 10 BDCDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221143031 173055370 /nfs/dbraw/zinc/05/53/70/173055370.db2.gz AJIXNIZMJZTVEJ-AWEZNQCLSA-N 2 2 246.354 1.805 20 10 BDCDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221143031 173055372 /nfs/dbraw/zinc/05/53/72/173055372.db2.gz AJIXNIZMJZTVEJ-AWEZNQCLSA-N 2 2 246.354 1.805 20 10 BDCDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226587876 173056976 /nfs/dbraw/zinc/05/69/76/173056976.db2.gz QQJWDJALLJXLHF-NSHDSACASA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226587876 173056978 /nfs/dbraw/zinc/05/69/78/173056978.db2.gz QQJWDJALLJXLHF-NSHDSACASA-N 2 2 238.306 1.715 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042543749 173151781 /nfs/dbraw/zinc/15/17/81/173151781.db2.gz NVCGVMUIBWXUDU-ZDUSSCGKSA-N 2 2 233.359 1.546 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042543749 173151783 /nfs/dbraw/zinc/15/17/83/173151783.db2.gz NVCGVMUIBWXUDU-ZDUSSCGKSA-N 2 2 233.359 1.546 20 10 BDCDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544015 173153120 /nfs/dbraw/zinc/15/31/20/173153120.db2.gz ORSJPWUATGTDEW-NSHDSACASA-N 2 2 206.289 1.186 20 10 BDCDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544015 173153123 /nfs/dbraw/zinc/15/31/23/173153123.db2.gz ORSJPWUATGTDEW-NSHDSACASA-N 2 2 206.289 1.186 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000053201577 173433144 /nfs/dbraw/zinc/43/31/44/173433144.db2.gz QRDBOWAMQSERFB-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000053201577 173433145 /nfs/dbraw/zinc/43/31/45/173433145.db2.gz QRDBOWAMQSERFB-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309233 175254586 /nfs/dbraw/zinc/25/45/86/175254586.db2.gz KYDFPZDDAAUKNY-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309233 175254587 /nfs/dbraw/zinc/25/45/87/175254587.db2.gz KYDFPZDDAAUKNY-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000854233095 588781347 /nfs/dbraw/zinc/78/13/47/588781347.db2.gz XMEXQAOZVZJPAM-MNOVXSKESA-N 2 2 222.332 1.959 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896554151 583812227 /nfs/dbraw/zinc/81/22/27/583812227.db2.gz HUTFHRYRMHGEJO-DGCLKSJQSA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554151 583812228 /nfs/dbraw/zinc/81/22/28/583812228.db2.gz HUTFHRYRMHGEJO-DGCLKSJQSA-N 2 2 234.343 1.883 20 10 BDCDLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040918 584116908 /nfs/dbraw/zinc/11/69/08/584116908.db2.gz COBYQWHBZIHSHT-UXIGCNINSA-N 2 2 247.386 1.998 20 10 BDCDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1O ZINC000902404865 584588940 /nfs/dbraw/zinc/58/89/40/584588940.db2.gz GEWMWNPMNDTBOL-MRVPVSSYSA-N 2 2 224.279 1.673 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459103 584610746 /nfs/dbraw/zinc/61/07/46/584610746.db2.gz BDSZAGCCZUPYDC-UMSGYPCISA-N 2 2 244.338 1.862 20 10 BDCDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000841076982 584761351 /nfs/dbraw/zinc/76/13/51/584761351.db2.gz VSPHSJXLLRAZLE-YUMQZZPRSA-N 2 2 228.723 1.871 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)C[C@@H]([NH3+])CC(F)F ZINC000903884920 584818992 /nfs/dbraw/zinc/81/89/92/584818992.db2.gz HYQOUIGODYEGSR-JTQLQIEISA-N 2 2 244.285 1.807 20 10 BDCDLP C[N@H+](Cc1ccccc1O)C[C@@H]([NH3+])CC(F)F ZINC000903884920 584818993 /nfs/dbraw/zinc/81/89/93/584818993.db2.gz HYQOUIGODYEGSR-JTQLQIEISA-N 2 2 244.285 1.807 20 10 BDCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)ccc1O ZINC000817959295 584992402 /nfs/dbraw/zinc/99/24/02/584992402.db2.gz FJIHXJJFTGQVFB-PRHODGIISA-N 2 2 238.306 1.919 20 10 BDCDLP Oc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778189585 585727018 /nfs/dbraw/zinc/72/70/18/585727018.db2.gz RDDATNXFPLDYLF-LBPRGKRZSA-N 2 2 243.310 1.693 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944412 586845812 /nfs/dbraw/zinc/84/58/12/586845812.db2.gz BHAQGXOCSNXNLP-DGCLKSJQSA-N 2 2 233.359 1.765 20 10 BDCDLP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817961665 586853229 /nfs/dbraw/zinc/85/32/29/586853229.db2.gz BXTVQJUKHQXSBW-YUMQZZPRSA-N 2 2 244.285 1.916 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817972759 586859188 /nfs/dbraw/zinc/85/91/88/586859188.db2.gz OIOFJEYESTZWBM-HTQZYQBOSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000841024985 587935625 /nfs/dbraw/zinc/93/56/25/587935625.db2.gz WGIOBFPXFFRXJC-KWQFWETISA-N 2 2 240.734 1.967 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000841024985 587935626 /nfs/dbraw/zinc/93/56/26/587935626.db2.gz WGIOBFPXFFRXJC-KWQFWETISA-N 2 2 240.734 1.967 20 10 BDCDLP CC(C)([NH3+])C[NH2+]Cc1cccc(Cl)c1O ZINC000841030399 587936190 /nfs/dbraw/zinc/93/61/90/587936190.db2.gz HNSHZFWKXNGQGX-UHFFFAOYSA-N 2 2 228.723 1.873 20 10 BDCDLP [NH3+]C[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000841027447 587936421 /nfs/dbraw/zinc/93/64/21/587936421.db2.gz BEFGLMDWNBEVIR-NSHDSACASA-N 2 2 224.279 1.358 20 10 BDCDLP CCOc1cccc(C[NH2+]CC[NH2+]C)c1O ZINC000841035568 587937717 /nfs/dbraw/zinc/93/77/17/587937717.db2.gz KNZUKKBONGOKGG-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP C[C@@H](C[NH3+])C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841047695 587939457 /nfs/dbraw/zinc/93/94/57/587939457.db2.gz BSZSBOUZVIFEHL-ZETCQYMHSA-N 2 2 246.713 1.869 20 10 BDCDLP [NH3+][C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000841048937 587939694 /nfs/dbraw/zinc/93/96/94/587939694.db2.gz HHAGRDNMHTXYPV-LLVKDONJSA-N 2 2 240.734 1.873 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059395 587940801 /nfs/dbraw/zinc/94/08/01/587940801.db2.gz RMGNIIKWWRGANC-IUODEOHRSA-N 2 2 247.386 1.840 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC000841065346 587941479 /nfs/dbraw/zinc/94/14/79/587941479.db2.gz IZFAZTHDZIBQFS-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843046925 588075694 /nfs/dbraw/zinc/07/56/94/588075694.db2.gz FMUKHBMASMQTNV-JTQLQIEISA-N 2 2 238.306 1.702 20 10 BDCDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843046925 588075695 /nfs/dbraw/zinc/07/56/95/588075695.db2.gz FMUKHBMASMQTNV-JTQLQIEISA-N 2 2 238.306 1.702 20 10 BDCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000843043843 588076175 /nfs/dbraw/zinc/07/61/75/588076175.db2.gz KYSYDQWGRCJGLV-CYBMUJFWSA-N 2 2 234.343 1.932 20 10 BDCDLP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000843043843 588076177 /nfs/dbraw/zinc/07/61/77/588076177.db2.gz KYSYDQWGRCJGLV-CYBMUJFWSA-N 2 2 234.343 1.932 20 10 BDCDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843048429 588076240 /nfs/dbraw/zinc/07/62/40/588076240.db2.gz TVQXNXRGIKNDEF-VIFPVBQESA-N 2 2 240.734 1.826 20 10 BDCDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843048429 588076242 /nfs/dbraw/zinc/07/62/42/588076242.db2.gz TVQXNXRGIKNDEF-VIFPVBQESA-N 2 2 240.734 1.826 20 10 BDCDLP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843048428 588076306 /nfs/dbraw/zinc/07/63/06/588076306.db2.gz TVQXNXRGIKNDEF-SECBINFHSA-N 2 2 240.734 1.826 20 10 BDCDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843048428 588076308 /nfs/dbraw/zinc/07/63/08/588076308.db2.gz TVQXNXRGIKNDEF-SECBINFHSA-N 2 2 240.734 1.826 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843051424 588076583 /nfs/dbraw/zinc/07/65/83/588076583.db2.gz HFVBPQZNKFFJFL-SKDRFNHKSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843051424 588076585 /nfs/dbraw/zinc/07/65/85/588076585.db2.gz HFVBPQZNKFFJFL-SKDRFNHKSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052582 588076660 /nfs/dbraw/zinc/07/66/60/588076660.db2.gz VWEJZHGSNXXFLH-JTQLQIEISA-N 2 2 239.338 1.671 20 10 BDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052582 588076662 /nfs/dbraw/zinc/07/66/62/588076662.db2.gz VWEJZHGSNXXFLH-JTQLQIEISA-N 2 2 239.338 1.671 20 10 BDCDLP C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843051423 588077086 /nfs/dbraw/zinc/07/70/86/588077086.db2.gz HFVBPQZNKFFJFL-JOYOIKCWSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843051423 588077088 /nfs/dbraw/zinc/07/70/88/588077088.db2.gz HFVBPQZNKFFJFL-JOYOIKCWSA-N 2 2 238.306 1.700 20 10 BDCDLP C[N@H+](CCC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000843051041 588077378 /nfs/dbraw/zinc/07/73/78/588077378.db2.gz WQWUXWYVXMPXDQ-UHFFFAOYSA-N 2 2 246.713 1.965 20 10 BDCDLP C[N@@H+](CCC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000843051041 588077380 /nfs/dbraw/zinc/07/73/80/588077380.db2.gz WQWUXWYVXMPXDQ-UHFFFAOYSA-N 2 2 246.713 1.965 20 10 BDCDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843116309 588082746 /nfs/dbraw/zinc/08/27/46/588082746.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 2 2 238.306 1.702 20 10 BDCDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843116309 588082748 /nfs/dbraw/zinc/08/27/48/588082748.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 2 2 238.306 1.702 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1[NH3+] ZINC000843120278 588083337 /nfs/dbraw/zinc/08/33/37/588083337.db2.gz CMRVYJMZFNDJRB-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1[NH3+] ZINC000843120278 588083339 /nfs/dbraw/zinc/08/33/39/588083339.db2.gz CMRVYJMZFNDJRB-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP C[C@H]1C[NH2+]C[C@H](Nc2ccc([NH3+])cc2)C1 ZINC000843126667 588084695 /nfs/dbraw/zinc/08/46/95/588084695.db2.gz SOEGIIHVRNLVDY-BXKDBHETSA-N 2 2 205.305 1.679 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000863487316 589293860 /nfs/dbraw/zinc/29/38/60/589293860.db2.gz NGRZEYQMTXFKBX-GZMMTYOYSA-N 2 2 240.734 1.886 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1O ZINC000863651323 589307046 /nfs/dbraw/zinc/30/70/46/589307046.db2.gz GMVTWGXHUMMTLW-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000863651323 589307048 /nfs/dbraw/zinc/30/70/48/589307048.db2.gz GMVTWGXHUMMTLW-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863653487 589308009 /nfs/dbraw/zinc/30/80/09/589308009.db2.gz LFCGHAIXLQHPJA-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863653487 589308011 /nfs/dbraw/zinc/30/80/11/589308011.db2.gz LFCGHAIXLQHPJA-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000128903347 591176814 /nfs/dbraw/zinc/17/68/14/591176814.db2.gz QESXCKGNCGGCAM-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000128903347 591176817 /nfs/dbraw/zinc/17/68/17/591176817.db2.gz QESXCKGNCGGCAM-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000906518000 638187605 /nfs/dbraw/zinc/18/76/05/638187605.db2.gz MNIOBRYYZLGTHE-LJGSYFOKSA-N 2 2 244.697 1.764 20 10 BDCDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000906518395 638188046 /nfs/dbraw/zinc/18/80/46/638188046.db2.gz YHJOKKWEURQRIP-KYZUINATSA-N 2 2 244.697 1.764 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923281768 644316087 /nfs/dbraw/zinc/31/60/87/644316087.db2.gz PIRVMLVQUQQEEL-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923281768 644316090 /nfs/dbraw/zinc/31/60/90/644316090.db2.gz PIRVMLVQUQQEEL-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1N(C)C ZINC000923409344 644410465 /nfs/dbraw/zinc/41/04/65/644410465.db2.gz PDAREGAXOFKARK-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1N(C)C ZINC000923409344 644410470 /nfs/dbraw/zinc/41/04/70/644410470.db2.gz PDAREGAXOFKARK-LBPRGKRZSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412918 644414395 /nfs/dbraw/zinc/41/43/95/644414395.db2.gz KYJIUBWCPIEFQH-TZMCWYRMSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412918 644414401 /nfs/dbraw/zinc/41/44/01/644414401.db2.gz KYJIUBWCPIEFQH-TZMCWYRMSA-N 2 2 247.386 1.983 20 10 BDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000382973149 710976541 /nfs/dbraw/zinc/97/65/41/710976541.db2.gz HBDCMDUNTCSMBS-NSHDSACASA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000382973149 710976544 /nfs/dbraw/zinc/97/65/44/710976544.db2.gz HBDCMDUNTCSMBS-NSHDSACASA-N 2 2 221.348 1.532 20 10 BDCDLP COc1ccc(O)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000380690639 712902640 /nfs/dbraw/zinc/90/26/40/712902640.db2.gz IPDXWRWKPHKHHS-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1ccc(O)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000380690639 712902641 /nfs/dbraw/zinc/90/26/41/712902641.db2.gz IPDXWRWKPHKHHS-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000379793514 712399410 /nfs/dbraw/zinc/39/94/10/712399410.db2.gz JUOFWLXZINKTNQ-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000379793514 712399412 /nfs/dbraw/zinc/39/94/12/712399412.db2.gz JUOFWLXZINKTNQ-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP Cc1cc(F)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC001236909241 979794062 /nfs/dbraw/zinc/79/40/62/979794062.db2.gz RDMVXHIVTWBRHE-VIFPVBQESA-N 2 2 226.295 1.619 20 10 BDCDLP Cc1cc(F)cc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC001236909241 979794072 /nfs/dbraw/zinc/79/40/72/979794072.db2.gz RDMVXHIVTWBRHE-VIFPVBQESA-N 2 2 226.295 1.619 20 10 BDCDLP CCc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176964 966026671 /nfs/dbraw/zinc/02/66/71/966026671.db2.gz ZMQLDTPWESLAEU-DZGCQCFKSA-N 2 2 246.354 1.878 20 10 BDCDLP CCc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176964 966026684 /nfs/dbraw/zinc/02/66/84/966026684.db2.gz ZMQLDTPWESLAEU-DZGCQCFKSA-N 2 2 246.354 1.878 20 10 BDCDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000400714369 970620001 /nfs/dbraw/zinc/62/00/01/970620001.db2.gz FHLTUKRMAUATTN-IUODEOHRSA-N 2 2 247.386 1.983 20 10 BDCDLP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000400714372 970620755 /nfs/dbraw/zinc/62/07/55/970620755.db2.gz FHLTUKRMAUATTN-SWLSCSKDSA-N 2 2 247.386 1.983 20 10 BDCDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC001328677168 973256312 /nfs/dbraw/zinc/25/63/12/973256312.db2.gz KQSVZHGVWRBQCB-SECBINFHSA-N 2 2 242.750 1.991 20 10 BDCDLP Nc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC001335287764 976930212 /nfs/dbraw/zinc/93/02/12/976930212.db2.gz AXLXCSKYBFUZCJ-LBPRGKRZSA-N 2 2 205.305 1.110 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082336 978970848 /nfs/dbraw/zinc/97/08/48/978970848.db2.gz RZEYMRVLDUIJGQ-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cccc(O)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082336 978970852 /nfs/dbraw/zinc/97/08/52/978970852.db2.gz RZEYMRVLDUIJGQ-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001235165523 978985727 /nfs/dbraw/zinc/98/57/27/978985727.db2.gz KFADFMJIIHOZLT-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001235165523 978985730 /nfs/dbraw/zinc/98/57/30/978985730.db2.gz KFADFMJIIHOZLT-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001235991231 979280047 /nfs/dbraw/zinc/28/00/47/979280047.db2.gz KSLPVTZRHNSMLL-GWCFXTLKSA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001235991231 979280074 /nfs/dbraw/zinc/28/00/74/979280074.db2.gz KSLPVTZRHNSMLL-GWCFXTLKSA-N 2 2 234.299 1.021 20 10 BDCDLP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236120674 979396410 /nfs/dbraw/zinc/39/64/10/979396410.db2.gz UZZZCZMEIFDDLZ-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236120674 979396420 /nfs/dbraw/zinc/39/64/20/979396420.db2.gz UZZZCZMEIFDDLZ-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171998 979429835 /nfs/dbraw/zinc/42/98/35/979429835.db2.gz AORQIRYNNMUMRP-SNVBAGLBSA-N 2 2 236.315 1.242 20 10 BDCDLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171998 979429845 /nfs/dbraw/zinc/42/98/45/979429845.db2.gz AORQIRYNNMUMRP-SNVBAGLBSA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)c(O)c1 ZINC001246341620 987753805 /nfs/dbraw/zinc/75/38/05/987753805.db2.gz BEZQVAISZTZMDI-LBPRGKRZSA-N 2 2 234.343 1.851 20 10 BDCDLP Oc1cccc2c1C[N@@H+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246866734 988621833 /nfs/dbraw/zinc/62/18/33/988621833.db2.gz CSTWVFPXMRQRBP-LBPRGKRZSA-N 2 2 232.327 1.502 20 10 BDCDLP Oc1cccc2c1C[N@H+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246866734 988621838 /nfs/dbraw/zinc/62/18/38/988621838.db2.gz CSTWVFPXMRQRBP-LBPRGKRZSA-N 2 2 232.327 1.502 20 10 BDCDLP CCC[N@H+](Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314717 169179812 /nfs/dbraw/zinc/17/98/12/169179812.db2.gz CNQSVLXFNOKJTI-ZDUSSCGKSA-N 2 2 234.343 1.966 20 10 BDCDLP CCC[N@@H+](Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314717 169179814 /nfs/dbraw/zinc/17/98/14/169179814.db2.gz CNQSVLXFNOKJTI-ZDUSSCGKSA-N 2 2 234.343 1.966 20 10 BDCDLP c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc2c1OCC2 ZINC000853246882 588728492 /nfs/dbraw/zinc/72/84/92/588728492.db2.gz VRLYZUZQJIUZAF-UHFFFAOYSA-N 2 2 244.338 1.463 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000853249637 588729211 /nfs/dbraw/zinc/72/92/11/588729211.db2.gz SGZVSLYJUCVUIV-JTQLQIEISA-N 2 2 208.305 1.398 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000853250083 588729355 /nfs/dbraw/zinc/72/93/55/588729355.db2.gz ZSZFOWNBKWUQTA-MRVPVSSYSA-N 2 2 228.723 1.743 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000854232557 588781169 /nfs/dbraw/zinc/78/11/69/588781169.db2.gz SKNSDZOCPDTFDI-QWRGUYRKSA-N 2 2 222.332 1.959 20 10 BDCDLP CN(C)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000894207891 583355861 /nfs/dbraw/zinc/35/58/61/583355861.db2.gz ANZJIKPZUPJXNC-UHFFFAOYSA-N 2 2 248.305 1.905 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841077320 584787771 /nfs/dbraw/zinc/78/77/71/584787771.db2.gz AGUBAWSSEPNQDR-QWRGUYRKSA-N 2 2 242.269 1.321 20 10 BDCDLP Cc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000903986653 584835683 /nfs/dbraw/zinc/83/56/83/584835683.db2.gz OTFUVSJYCKWVSH-LBPRGKRZSA-N 2 2 234.343 1.870 20 10 BDCDLP Cc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000903986653 584835684 /nfs/dbraw/zinc/83/56/84/584835684.db2.gz OTFUVSJYCKWVSH-LBPRGKRZSA-N 2 2 234.343 1.870 20 10 BDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841086330 584883849 /nfs/dbraw/zinc/88/38/49/584883849.db2.gz NBFNINSPLADPTF-AWEZNQCLSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817971845 584993362 /nfs/dbraw/zinc/99/33/62/584993362.db2.gz HTTHQUSQVAMYDZ-BQBZGAKWSA-N 2 2 230.258 1.668 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817965899 584993471 /nfs/dbraw/zinc/99/34/71/584993471.db2.gz FADKZQPUNAYFNI-SFYZADRCSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942132 586845581 /nfs/dbraw/zinc/84/55/81/586845581.db2.gz XADDSTHUDCLDOS-MWLCHTKSSA-N 2 2 238.306 1.934 20 10 BDCDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944915 586845852 /nfs/dbraw/zinc/84/58/52/586845852.db2.gz OYTKDFREGPLTGM-ZYHUDNBSSA-N 2 2 220.316 1.795 20 10 BDCDLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccccc1O ZINC000817952228 586848059 /nfs/dbraw/zinc/84/80/59/586848059.db2.gz OOWYECGDXMHXCP-LLVKDONJSA-N 2 2 208.305 1.652 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)cc(F)c1O ZINC000817969363 586856137 /nfs/dbraw/zinc/85/61/37/586856137.db2.gz CPRHXCGBDGRQNH-NKWVEPMBSA-N 2 2 230.258 1.668 20 10 BDCDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1O ZINC000817976847 586860556 /nfs/dbraw/zinc/86/05/56/586860556.db2.gz VLXBKAZERBGAKS-DCAQKATOSA-N 2 2 238.306 1.743 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841035681 587937785 /nfs/dbraw/zinc/93/77/85/587937785.db2.gz JSOXUVIJGJNIHX-SECBINFHSA-N 2 2 240.734 1.887 20 10 BDCDLP CCOc1ccc(O)c(C[NH2+]CC[NH2+]C)c1 ZINC000841036616 587938039 /nfs/dbraw/zinc/93/80/39/587938039.db2.gz QLUBJQSPVGWZDQ-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(C)ccc1O ZINC000841037213 587938140 /nfs/dbraw/zinc/93/81/40/587938140.db2.gz QQYSKRHLJSNGSY-UHFFFAOYSA-N 2 2 208.305 1.400 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841041672 587938283 /nfs/dbraw/zinc/93/82/83/587938283.db2.gz DIYYBWKVBKNBDE-GFCCVEGCSA-N 2 2 220.316 1.542 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841045326 587939164 /nfs/dbraw/zinc/93/91/64/587939164.db2.gz SVVBEJPBXMBIND-CYBMUJFWSA-N 2 2 233.359 1.513 20 10 BDCDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000841080728 587942723 /nfs/dbraw/zinc/94/27/23/587942723.db2.gz QFVUSOVYXAYLSC-SFYZADRCSA-N 2 2 228.723 1.871 20 10 BDCDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841087887 587945407 /nfs/dbraw/zinc/94/54/07/587945407.db2.gz SYIANBPSWHCXFF-LBPRGKRZSA-N 2 2 240.322 1.994 20 10 BDCDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841087884 587946052 /nfs/dbraw/zinc/94/60/52/587946052.db2.gz SYIANBPSWHCXFF-GFCCVEGCSA-N 2 2 240.322 1.994 20 10 BDCDLP C[N@H+](CC[NH3+])Cc1cccc(Cl)c1O ZINC000841100187 587946375 /nfs/dbraw/zinc/94/63/75/587946375.db2.gz FSJZCPJVOSYWBD-UHFFFAOYSA-N 2 2 214.696 1.436 20 10 BDCDLP C[N@@H+](CC[NH3+])Cc1cccc(Cl)c1O ZINC000841100187 587946376 /nfs/dbraw/zinc/94/63/76/587946376.db2.gz FSJZCPJVOSYWBD-UHFFFAOYSA-N 2 2 214.696 1.436 20 10 BDCDLP CN(C)c1ccc(C[N@H+](C)CC[NH3+])cc1F ZINC000841099923 587946699 /nfs/dbraw/zinc/94/66/99/587946699.db2.gz ATLAEDXUXWFLGQ-UHFFFAOYSA-N 2 2 225.311 1.282 20 10 BDCDLP CN(C)c1ccc(C[N@@H+](C)CC[NH3+])cc1F ZINC000841099923 587946701 /nfs/dbraw/zinc/94/67/01/587946701.db2.gz ATLAEDXUXWFLGQ-UHFFFAOYSA-N 2 2 225.311 1.282 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](C)CC[NH3+])c1 ZINC000841099356 587946710 /nfs/dbraw/zinc/94/67/10/587946710.db2.gz ITLWYAXVIYUVHU-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](C)CC[NH3+])c1 ZINC000841099356 587946713 /nfs/dbraw/zinc/94/67/13/587946713.db2.gz ITLWYAXVIYUVHU-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP C[C@]1(CNc2ccc([NH3+])cc2)CC[NH2+]C1 ZINC000843126676 588084259 /nfs/dbraw/zinc/08/42/59/588084259.db2.gz SPRIZXAWXSZRMZ-LBPRGKRZSA-N 2 2 205.305 1.680 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000849349835 588475016 /nfs/dbraw/zinc/47/50/16/588475016.db2.gz KNXDWFDOIOOWQP-UHFFFAOYSA-N 2 2 238.306 1.892 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C[NH2+]1 ZINC000863484633 589293028 /nfs/dbraw/zinc/29/30/28/589293028.db2.gz KDHJOHLQDZFPQV-SKDRFNHKSA-N 2 2 238.306 1.761 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485284 589293040 /nfs/dbraw/zinc/29/30/40/589293040.db2.gz YGKQRBACZSRZBS-BXUZGUMPSA-N 2 2 246.354 1.852 20 10 BDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863486982 589293289 /nfs/dbraw/zinc/29/32/89/589293289.db2.gz HPMQZYGPZKJLFF-GXSJLCMTSA-N 2 2 236.315 1.241 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000220306067 592299397 /nfs/dbraw/zinc/29/93/97/592299397.db2.gz SQGNTHRSYZZBOD-LLVKDONJSA-N 2 2 224.279 1.454 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000904462945 637407391 /nfs/dbraw/zinc/40/73/91/637407391.db2.gz MYJGKLDIUQRKIC-ZDUSSCGKSA-N 2 2 234.343 1.788 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000904465198 637408753 /nfs/dbraw/zinc/40/87/53/637408753.db2.gz YTIGSDQAQPPRQN-CQSZACIVSA-N 2 2 247.386 1.840 20 10 BDCDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000084529865 643666241 /nfs/dbraw/zinc/66/62/41/643666241.db2.gz WSRUNZXHQQNQOR-ZDUSSCGKSA-N 2 2 234.343 1.845 20 10 BDCDLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923291048 644326862 /nfs/dbraw/zinc/32/68/62/644326862.db2.gz AEQPCPQFPBSMKI-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923291048 644326864 /nfs/dbraw/zinc/32/68/64/644326864.db2.gz AEQPCPQFPBSMKI-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412917 644414001 /nfs/dbraw/zinc/41/40/01/644414001.db2.gz KYJIUBWCPIEFQH-OCCSQVGLSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412917 644414005 /nfs/dbraw/zinc/41/40/05/644414005.db2.gz KYJIUBWCPIEFQH-OCCSQVGLSA-N 2 2 247.386 1.983 20 10 BDCDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925787616 646483128 /nfs/dbraw/zinc/48/31/28/646483128.db2.gz YWJZKIPYABHCGV-VDDIYKPWSA-N 2 2 238.306 1.790 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925787615 646483579 /nfs/dbraw/zinc/48/35/79/646483579.db2.gz YWJZKIPYABHCGV-KBVBSXBZSA-N 2 2 238.306 1.790 20 10 BDCDLP Cc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1O ZINC000381714513 710682987 /nfs/dbraw/zinc/68/29/87/710682987.db2.gz KVGCRVPACSWWBR-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1O ZINC000381714513 710682990 /nfs/dbraw/zinc/68/29/90/710682990.db2.gz KVGCRVPACSWWBR-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385324052 711692192 /nfs/dbraw/zinc/69/21/92/711692192.db2.gz SCPBWOAMOONUSX-YPMHNXCESA-N 2 2 232.327 1.494 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385324052 711692195 /nfs/dbraw/zinc/69/21/95/711692195.db2.gz SCPBWOAMOONUSX-YPMHNXCESA-N 2 2 232.327 1.494 20 10 BDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC000405742127 971300373 /nfs/dbraw/zinc/30/03/73/971300373.db2.gz PQRAOCSKBNKAPN-GFCCVEGCSA-N 2 2 222.288 1.021 20 10 BDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC000405742127 971300376 /nfs/dbraw/zinc/30/03/76/971300376.db2.gz PQRAOCSKBNKAPN-GFCCVEGCSA-N 2 2 222.288 1.021 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)ccc1N(C)C ZINC001204782647 963536187 /nfs/dbraw/zinc/53/61/87/963536187.db2.gz HZINXQCBZTYJPM-HNNXBMFYSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@](C)([NH3+])C2)ccc1N(C)C ZINC001204782647 963536194 /nfs/dbraw/zinc/53/61/94/963536194.db2.gz HZINXQCBZTYJPM-HNNXBMFYSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)ccc1N(C)C ZINC001204782648 963538046 /nfs/dbraw/zinc/53/80/46/963538046.db2.gz HZINXQCBZTYJPM-OAHLLOKOSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)ccc1N(C)C ZINC001204782648 963538051 /nfs/dbraw/zinc/53/80/51/963538051.db2.gz HZINXQCBZTYJPM-OAHLLOKOSA-N 2 2 247.386 1.984 20 10 BDCDLP [NH3+][C@H]1CCN(c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001164282077 965826905 /nfs/dbraw/zinc/82/69/05/965826905.db2.gz SHXYXMNRLLXMQM-ZDUSSCGKSA-N 2 2 242.326 1.469 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001235994752 966218205 /nfs/dbraw/zinc/21/82/05/966218205.db2.gz QCJUIBPVYRBYJO-GXFFZTMASA-N 2 2 236.290 1.454 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001235994752 966218216 /nfs/dbraw/zinc/21/82/16/966218216.db2.gz QCJUIBPVYRBYJO-GXFFZTMASA-N 2 2 236.290 1.454 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204782443 967167300 /nfs/dbraw/zinc/16/73/00/967167300.db2.gz DNARCWOMKIZKTL-CYBMUJFWSA-N 2 2 236.315 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204782443 967167308 /nfs/dbraw/zinc/16/73/08/967167308.db2.gz DNARCWOMKIZKTL-CYBMUJFWSA-N 2 2 236.315 1.329 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235121583 978978705 /nfs/dbraw/zinc/97/87/05/978978705.db2.gz YAYPBGDWHIZPCS-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235121583 978978706 /nfs/dbraw/zinc/97/87/06/978978706.db2.gz YAYPBGDWHIZPCS-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001235991232 979282071 /nfs/dbraw/zinc/28/20/71/979282071.db2.gz KSLPVTZRHNSMLL-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001235991232 979282082 /nfs/dbraw/zinc/28/20/82/979282082.db2.gz KSLPVTZRHNSMLL-GXFFZTMASA-N 2 2 234.299 1.021 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118018715 987987585 /nfs/dbraw/zinc/98/75/85/987987585.db2.gz JCOZLFUXYFYTKW-UHFFFAOYSA-N 2 2 233.359 1.596 20 10 BDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1O ZINC001576006674 993156503 /nfs/dbraw/zinc/15/65/03/993156503.db2.gz VWHKPTXPGPMGBY-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001576006674 993156506 /nfs/dbraw/zinc/15/65/06/993156506.db2.gz VWHKPTXPGPMGBY-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671819 173046874 /nfs/dbraw/zinc/04/68/74/173046874.db2.gz AUQRQSFZISEMPH-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671819 173046875 /nfs/dbraw/zinc/04/68/75/173046875.db2.gz AUQRQSFZISEMPH-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000853248703 588727291 /nfs/dbraw/zinc/72/72/91/588727291.db2.gz IQOSBJIXJUPOCW-MRVPVSSYSA-N 2 2 212.268 1.229 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000853248722 588728753 /nfs/dbraw/zinc/72/87/53/588728753.db2.gz JDYRWGSAIPTUNW-VIFPVBQESA-N 2 2 224.304 1.098 20 10 BDCDLP CCOc1ccc(C[NH2+][C@@H](C)C[NH2+]C)c(O)c1 ZINC000853248656 588728810 /nfs/dbraw/zinc/72/88/10/588728810.db2.gz IEIWEMUKPUPGHA-JTQLQIEISA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000853248710 588728987 /nfs/dbraw/zinc/72/89/87/588728987.db2.gz IUIPPLPXHQUSHD-CFHLNLSMSA-N 2 2 247.386 1.963 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000853250715 588729334 /nfs/dbraw/zinc/72/93/34/588729334.db2.gz YAJXOLHTHSUJRU-LLVKDONJSA-N 2 2 222.332 1.701 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000854232556 588781310 /nfs/dbraw/zinc/78/13/10/588781310.db2.gz SKNSDZOCPDTFDI-MNOVXSKESA-N 2 2 222.332 1.959 20 10 BDCDLP C[NH+]1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896638870 583819712 /nfs/dbraw/zinc/81/97/12/583819712.db2.gz XWRPXESUJIJWBE-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040916 584116942 /nfs/dbraw/zinc/11/69/42/584116942.db2.gz COBYQWHBZIHSHT-OSAQELSMSA-N 2 2 247.386 1.998 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1O ZINC000902478522 584603701 /nfs/dbraw/zinc/60/37/01/584603701.db2.gz YEGRXDCRTNPZJX-VCDKRKBESA-N 2 2 232.327 1.936 20 10 BDCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)ccc1O ZINC000817959297 584992331 /nfs/dbraw/zinc/99/23/31/584992331.db2.gz FJIHXJJFTGQVFB-UFBFGSQYSA-N 2 2 238.306 1.919 20 10 BDCDLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(N(C)C)cc1 ZINC000817934248 586843334 /nfs/dbraw/zinc/84/33/34/586843334.db2.gz DWIHTKAOLIIZTG-CYBMUJFWSA-N 2 2 221.348 1.752 20 10 BDCDLP C[C@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1O ZINC000817935010 586843346 /nfs/dbraw/zinc/84/33/46/586843346.db2.gz SMBMBPMGMSXRFO-ZETCQYMHSA-N 2 2 214.696 1.655 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951225 586847761 /nfs/dbraw/zinc/84/77/61/586847761.db2.gz BXLWVNNXVCZYHA-KOLCDFICSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955709 586849749 /nfs/dbraw/zinc/84/97/49/586849749.db2.gz FVJZTQWWVDJCDW-BXUZGUMPSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955709 586849752 /nfs/dbraw/zinc/84/97/52/586849752.db2.gz FVJZTQWWVDJCDW-BXUZGUMPSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969219 586856777 /nfs/dbraw/zinc/85/67/77/586856777.db2.gz SDFDXCQHKTUGKH-WXHSDQCUSA-N 2 2 246.354 1.967 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841036821 587937454 /nfs/dbraw/zinc/93/74/54/587937454.db2.gz UWAOCVVLDVATSH-UHFFFAOYSA-N 2 2 232.686 1.494 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc(OCC)cc1O ZINC000841037696 587937869 /nfs/dbraw/zinc/93/78/69/587937869.db2.gz SJQHFXWGNAHRRO-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841037552 587938078 /nfs/dbraw/zinc/93/80/78/587938078.db2.gz AMIMARMOGUGEJD-NSHDSACASA-N 2 2 240.322 1.994 20 10 BDCDLP CC(C)C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046302 587939217 /nfs/dbraw/zinc/93/92/17/587939217.db2.gz ZOIANTYLNDPVTR-AWEZNQCLSA-N 2 2 235.375 1.998 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000843045523 588075651 /nfs/dbraw/zinc/07/56/51/588075651.db2.gz UKACUYQNMRELBJ-VQTKUKTRSA-N 2 2 245.370 1.799 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000843045523 588075653 /nfs/dbraw/zinc/07/56/53/588075653.db2.gz UKACUYQNMRELBJ-VQTKUKTRSA-N 2 2 245.370 1.799 20 10 BDCDLP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843048363 588076295 /nfs/dbraw/zinc/07/62/95/588076295.db2.gz MCUKPSGZWIGNTN-SECBINFHSA-N 2 2 224.279 1.312 20 10 BDCDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843048363 588076296 /nfs/dbraw/zinc/07/62/96/588076296.db2.gz MCUKPSGZWIGNTN-SECBINFHSA-N 2 2 224.279 1.312 20 10 BDCDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843053365 588076974 /nfs/dbraw/zinc/07/69/74/588076974.db2.gz XZYFYXWZAICXCT-JTQLQIEISA-N 2 2 238.306 1.573 20 10 BDCDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843053365 588076977 /nfs/dbraw/zinc/07/69/77/588076977.db2.gz XZYFYXWZAICXCT-JTQLQIEISA-N 2 2 238.306 1.573 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653555 589308282 /nfs/dbraw/zinc/30/82/82/589308282.db2.gz NDDMIJJOBOUQCC-JTQLQIEISA-N 2 2 239.338 1.671 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653555 589308284 /nfs/dbraw/zinc/30/82/84/589308284.db2.gz NDDMIJJOBOUQCC-JTQLQIEISA-N 2 2 239.338 1.671 20 10 BDCDLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(O)c1 ZINC000876985974 590265116 /nfs/dbraw/zinc/26/51/16/590265116.db2.gz YQBWDULKGWELKX-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(O)c1 ZINC000876985974 590265118 /nfs/dbraw/zinc/26/51/18/590265118.db2.gz YQBWDULKGWELKX-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000133047993 591760472 /nfs/dbraw/zinc/76/04/72/591760472.db2.gz BTJJWVSIDQKNJO-OAHLLOKOSA-N 2 2 247.386 1.936 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000133047993 591760476 /nfs/dbraw/zinc/76/04/76/591760476.db2.gz BTJJWVSIDQKNJO-OAHLLOKOSA-N 2 2 247.386 1.936 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000150072458 639301246 /nfs/dbraw/zinc/30/12/46/639301246.db2.gz IDSHHPOBDOBUNO-LLVKDONJSA-N 2 2 206.289 1.186 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000150072458 639301249 /nfs/dbraw/zinc/30/12/49/639301249.db2.gz IDSHHPOBDOBUNO-LLVKDONJSA-N 2 2 206.289 1.186 20 10 BDCDLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])ccc1N(C)C ZINC000923409342 644411859 /nfs/dbraw/zinc/41/18/59/644411859.db2.gz PDAREGAXOFKARK-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])ccc1N(C)C ZINC000923409342 644411865 /nfs/dbraw/zinc/41/18/65/644411865.db2.gz PDAREGAXOFKARK-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783626 646479326 /nfs/dbraw/zinc/47/93/26/646479326.db2.gz KKGWIGRNWGVECJ-KBVBSXBZSA-N 2 2 238.306 1.790 20 10 BDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)ccc1O ZINC000383024969 710976579 /nfs/dbraw/zinc/97/65/79/710976579.db2.gz XSLPJHVSAJEUML-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000383024969 710976583 /nfs/dbraw/zinc/97/65/83/710976583.db2.gz XSLPJHVSAJEUML-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N)cc1 ZINC001235906322 966153029 /nfs/dbraw/zinc/15/30/29/966153029.db2.gz NWYDWBIKZWRUBY-ZWNOBZJWSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N)cc1 ZINC001235906322 966153020 /nfs/dbraw/zinc/15/30/20/966153020.db2.gz NWYDWBIKZWRUBY-ZWNOBZJWSA-N 2 2 219.332 1.580 20 10 BDCDLP Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236124875 979404063 /nfs/dbraw/zinc/40/40/63/979404063.db2.gz QHAUORAYRFVRSL-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236124875 979404071 /nfs/dbraw/zinc/40/40/71/979404071.db2.gz QHAUORAYRFVRSL-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c(O)c1 ZINC001276169831 984823653 /nfs/dbraw/zinc/82/36/53/984823653.db2.gz XJOSCEBAISPQDK-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001276169831 984823655 /nfs/dbraw/zinc/82/36/55/984823655.db2.gz XJOSCEBAISPQDK-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC001578627611 985243990 /nfs/dbraw/zinc/24/39/90/985243990.db2.gz RWSJNMOIQXTMPS-QMMMGPOBSA-N 2 2 244.285 1.616 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001578638747 985250492 /nfs/dbraw/zinc/25/04/92/985250492.db2.gz TWKMMJODPVMYKD-QMMMGPOBSA-N 2 2 228.723 1.743 20 10 BDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1O ZINC001576006669 993156147 /nfs/dbraw/zinc/15/61/47/993156147.db2.gz VWHKPTXPGPMGBY-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001576006669 993156151 /nfs/dbraw/zinc/15/61/51/993156151.db2.gz VWHKPTXPGPMGBY-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(O)cc1O ZINC000380831843 993354491 /nfs/dbraw/zinc/35/44/91/993354491.db2.gz PWHWDYLBYIUBDX-LDYMZIIASA-N 2 2 222.288 1.019 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(O)cc1O ZINC000380831843 993354495 /nfs/dbraw/zinc/35/44/95/993354495.db2.gz PWHWDYLBYIUBDX-LDYMZIIASA-N 2 2 222.288 1.019 20 10 BDCDLP C[C@@H]([NH2+]CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000037184063 383954858 /nfs/dbraw/zinc/95/48/58/383954858.db2.gz AMNJYGSYAICQGZ-GFCCVEGCSA-N 2 2 235.375 1.965 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000038087042 175158107 /nfs/dbraw/zinc/15/81/07/175158107.db2.gz PSVIMTBOODTLEV-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000038087042 175158108 /nfs/dbraw/zinc/15/81/08/175158108.db2.gz PSVIMTBOODTLEV-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000853250012 588729362 /nfs/dbraw/zinc/72/93/62/588729362.db2.gz YBBCVULVJLRZLH-GFCCVEGCSA-N 2 2 235.375 1.759 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000896554153 583811515 /nfs/dbraw/zinc/81/15/15/583811515.db2.gz HUTFHRYRMHGEJO-YPMHNXCESA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554153 583811516 /nfs/dbraw/zinc/81/15/16/583811516.db2.gz HUTFHRYRMHGEJO-YPMHNXCESA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000896554152 583812161 /nfs/dbraw/zinc/81/21/61/583812161.db2.gz HUTFHRYRMHGEJO-WCQYABFASA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896554152 583812163 /nfs/dbraw/zinc/81/21/63/583812163.db2.gz HUTFHRYRMHGEJO-WCQYABFASA-N 2 2 234.343 1.883 20 10 BDCDLP CCOc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000863650780 583994961 /nfs/dbraw/zinc/99/49/61/583994961.db2.gz AAJINOMYKIDOOM-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000863650780 583994962 /nfs/dbraw/zinc/99/49/62/583994962.db2.gz AAJINOMYKIDOOM-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP C[NH2+]CCC[NH2+]Cc1cccc(Cl)c1O ZINC000841042007 584119467 /nfs/dbraw/zinc/11/94/67/584119467.db2.gz KRVIDBYAPWYABB-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP Oc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778189584 585727143 /nfs/dbraw/zinc/72/71/43/585727143.db2.gz RDDATNXFPLDYLF-GFCCVEGCSA-N 2 2 243.310 1.693 20 10 BDCDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902854 586836491 /nfs/dbraw/zinc/83/64/91/586836491.db2.gz ZNNRTBVTYNACIH-FZMZJTMJSA-N 2 2 246.354 1.852 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000817944608 586846012 /nfs/dbraw/zinc/84/60/12/586846012.db2.gz IAOHRXDULMPLMM-MNOVXSKESA-N 2 2 218.300 1.331 20 10 BDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000817944714 586846039 /nfs/dbraw/zinc/84/60/39/586846039.db2.gz KCWUSYLFTCGDRP-ZJUUUORDSA-N 2 2 236.315 1.413 20 10 BDCDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944913 586846138 /nfs/dbraw/zinc/84/61/38/586846138.db2.gz OYTKDFREGPLTGM-JQWIXIFHSA-N 2 2 220.316 1.795 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817951890 586847528 /nfs/dbraw/zinc/84/75/28/586847528.db2.gz KWIZQGOYILCVAH-LLVKDONJSA-N 2 2 222.332 1.879 20 10 BDCDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951224 586847620 /nfs/dbraw/zinc/84/76/20/586847620.db2.gz BXLWVNNXVCZYHA-GXSJLCMTSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951227 586848119 /nfs/dbraw/zinc/84/81/19/586848119.db2.gz BXLWVNNXVCZYHA-ONGXEEELSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817953732 586848566 /nfs/dbraw/zinc/84/85/66/586848566.db2.gz PVMPJCCFRHRYOU-SECBINFHSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817953733 586848574 /nfs/dbraw/zinc/84/85/74/586848574.db2.gz PVMPJCCFRHRYOU-VIFPVBQESA-N 2 2 238.306 1.934 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817952898 586849228 /nfs/dbraw/zinc/84/92/28/586849228.db2.gz WJXKDRLBUOOZIN-MRVPVSSYSA-N 2 2 212.268 1.401 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1O ZINC000817953296 586849350 /nfs/dbraw/zinc/84/93/50/586849350.db2.gz ZGIVZFLPOSXBMT-JTQLQIEISA-N 2 2 208.305 1.652 20 10 BDCDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817969362 586856037 /nfs/dbraw/zinc/85/60/37/586856037.db2.gz CPRHXCGBDGRQNH-BQBZGAKWSA-N 2 2 230.258 1.668 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000841025854 587935431 /nfs/dbraw/zinc/93/54/31/587935431.db2.gz LCYAULWBVCSXFE-ONGXEEELSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000841025854 587935433 /nfs/dbraw/zinc/93/54/33/587935433.db2.gz LCYAULWBVCSXFE-ONGXEEELSA-N 2 2 236.315 1.322 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036207 587938177 /nfs/dbraw/zinc/93/81/77/587938177.db2.gz PQDPKLDKRSQXNI-SNVBAGLBSA-N 2 2 240.734 1.887 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000841041656 587938408 /nfs/dbraw/zinc/93/84/08/587938408.db2.gz CWECPXMCTCPBJO-CYBMUJFWSA-N 2 2 234.343 1.851 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000841048829 587939707 /nfs/dbraw/zinc/93/97/07/587939707.db2.gz MACUQXWUMXYXJC-UHFFFAOYSA-N 2 2 224.279 1.502 20 10 BDCDLP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(Cl)c1O ZINC000841049792 587940314 /nfs/dbraw/zinc/94/03/14/587940314.db2.gz WKFULCNIHXSPNW-QMMMGPOBSA-N 2 2 228.723 1.730 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000841088609 587945706 /nfs/dbraw/zinc/94/57/06/587945706.db2.gz AZVBDNYLVNLPSO-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP C[NH2+]CCC[N@H+](C)Cc1cccc(F)c1O ZINC000841103301 587946277 /nfs/dbraw/zinc/94/62/77/587946277.db2.gz GFKJLZCMFUNLCJ-UHFFFAOYSA-N 2 2 226.295 1.573 20 10 BDCDLP C[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1O ZINC000841103301 587946279 /nfs/dbraw/zinc/94/62/79/587946279.db2.gz GFKJLZCMFUNLCJ-UHFFFAOYSA-N 2 2 226.295 1.573 20 10 BDCDLP [NH3+]C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843047244 588076212 /nfs/dbraw/zinc/07/62/12/588076212.db2.gz HQXWSTIEQKGEBC-UHFFFAOYSA-N 2 2 224.279 1.454 20 10 BDCDLP C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CC[NH2+]C1 ZINC000843049326 588077118 /nfs/dbraw/zinc/07/71/18/588077118.db2.gz KLTQLDXBGFFFEQ-JTQLQIEISA-N 2 2 240.734 1.839 20 10 BDCDLP C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CC[NH2+]C1 ZINC000843049326 588077120 /nfs/dbraw/zinc/07/71/20/588077120.db2.gz KLTQLDXBGFFFEQ-JTQLQIEISA-N 2 2 240.734 1.839 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000843054588 588077273 /nfs/dbraw/zinc/07/72/73/588077273.db2.gz VLRXYMHPTUHOHZ-SNVBAGLBSA-N 2 2 240.734 1.969 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000843054588 588077275 /nfs/dbraw/zinc/07/72/75/588077275.db2.gz VLRXYMHPTUHOHZ-SNVBAGLBSA-N 2 2 240.734 1.969 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000863487028 589293779 /nfs/dbraw/zinc/29/37/79/589293779.db2.gz ISFWBCQBADQELQ-WCQYABFASA-N 2 2 234.343 1.849 20 10 BDCDLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)c(O)c1 ZINC000877629185 590377904 /nfs/dbraw/zinc/37/79/04/590377904.db2.gz RNDVMDBSUKPMEF-UHFFFAOYSA-N 2 2 234.343 1.694 20 10 BDCDLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)c(O)c1 ZINC000877629185 590377905 /nfs/dbraw/zinc/37/79/05/590377905.db2.gz RNDVMDBSUKPMEF-UHFFFAOYSA-N 2 2 234.343 1.694 20 10 BDCDLP Oc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000162938085 635204204 /nfs/dbraw/zinc/20/42/04/635204204.db2.gz BEESRBDQLYDCGZ-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000234264963 635552252 /nfs/dbraw/zinc/55/22/52/635552252.db2.gz XNOSVTBWTYTYCK-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000162155167 633024076 /nfs/dbraw/zinc/02/40/76/633024076.db2.gz BARNLDVEHHJHDL-JTQLQIEISA-N 2 2 220.316 1.319 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043324905 638254597 /nfs/dbraw/zinc/25/45/97/638254597.db2.gz BXCPTGRAJZHBGQ-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1N(C)C ZINC000923289047 644324612 /nfs/dbraw/zinc/32/46/12/644324612.db2.gz DISMOLTYOWTDFQ-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1N(C)C ZINC000923289047 644324616 /nfs/dbraw/zinc/32/46/16/644324616.db2.gz DISMOLTYOWTDFQ-GFCCVEGCSA-N 2 2 235.375 1.840 20 10 BDCDLP CC1(C)C[N@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000720745510 712863025 /nfs/dbraw/zinc/86/30/25/712863025.db2.gz CFHPTRZHOGIRSW-LBPRGKRZSA-N 2 2 220.316 1.561 20 10 BDCDLP CC1(C)C[N@@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000720745510 712863026 /nfs/dbraw/zinc/86/30/26/712863026.db2.gz CFHPTRZHOGIRSW-LBPRGKRZSA-N 2 2 220.316 1.561 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236418399 979590964 /nfs/dbraw/zinc/59/09/64/979590964.db2.gz HIUANSAPKQHXJR-ZWNOBZJWSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001236418399 979590974 /nfs/dbraw/zinc/59/09/74/979590974.db2.gz HIUANSAPKQHXJR-ZWNOBZJWSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N)cc1 ZINC001235906321 966151952 /nfs/dbraw/zinc/15/19/52/966151952.db2.gz NWYDWBIKZWRUBY-MFKMUULPSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N)cc1 ZINC001235906321 966151970 /nfs/dbraw/zinc/15/19/70/966151970.db2.gz NWYDWBIKZWRUBY-MFKMUULPSA-N 2 2 219.332 1.580 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC001204668161 967125003 /nfs/dbraw/zinc/12/50/03/967125003.db2.gz UCBOOBPVGQMBHW-UHFFFAOYSA-N 2 2 236.315 1.202 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC001204668161 967125008 /nfs/dbraw/zinc/12/50/08/967125008.db2.gz UCBOOBPVGQMBHW-UHFFFAOYSA-N 2 2 236.315 1.202 20 10 BDCDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001334754612 976625334 /nfs/dbraw/zinc/62/53/34/976625334.db2.gz PQTHAUUKGWMFEQ-GFCCVEGCSA-N 2 2 219.332 1.356 20 10 BDCDLP Nc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001335287763 976930807 /nfs/dbraw/zinc/93/08/07/976930807.db2.gz AXLXCSKYBFUZCJ-GFCCVEGCSA-N 2 2 205.305 1.110 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039962 978959126 /nfs/dbraw/zinc/95/91/26/978959126.db2.gz ZIOOQWFTPXZWDQ-NWDGAFQWSA-N 2 2 218.300 1.328 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039962 978959131 /nfs/dbraw/zinc/95/91/31/978959131.db2.gz ZIOOQWFTPXZWDQ-NWDGAFQWSA-N 2 2 218.300 1.328 20 10 BDCDLP C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235348754 979032255 /nfs/dbraw/zinc/03/22/55/979032255.db2.gz YWDCSHRJTFIDMA-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235348754 979032258 /nfs/dbraw/zinc/03/22/58/979032258.db2.gz YWDCSHRJTFIDMA-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP CC[N@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008906 979297686 /nfs/dbraw/zinc/29/76/86/979297686.db2.gz JSCKMNIDNIMMRO-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP CC[N@@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008906 979297707 /nfs/dbraw/zinc/29/77/07/979297707.db2.gz JSCKMNIDNIMMRO-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172669 979429550 /nfs/dbraw/zinc/42/95/50/979429550.db2.gz JHWTYTVVXQNGRT-NSHDSACASA-N 2 2 220.316 1.542 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172669 979429555 /nfs/dbraw/zinc/42/95/55/979429555.db2.gz JHWTYTVVXQNGRT-NSHDSACASA-N 2 2 220.316 1.542 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C[NH2+]1 ZINC001246239589 987639041 /nfs/dbraw/zinc/63/90/41/987639041.db2.gz KEMZZSIDPVQTKE-MWLCHTKSSA-N 2 2 236.315 1.328 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C[NH2+]1 ZINC001246239583 987639057 /nfs/dbraw/zinc/63/90/57/987639057.db2.gz KEMZZSIDPVQTKE-GXSJLCMTSA-N 2 2 236.315 1.328 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000393872405 994017827 /nfs/dbraw/zinc/01/78/27/994017827.db2.gz AEWYWIGZLGDDSN-BXKDBHETSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000393872405 994017837 /nfs/dbraw/zinc/01/78/37/994017837.db2.gz AEWYWIGZLGDDSN-BXKDBHETSA-N 2 2 236.315 1.322 20 10 BDCDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1O ZINC000041119234 188292768 /nfs/dbraw/zinc/29/27/68/188292768.db2.gz HZFUMHDAWLPZMN-LLVKDONJSA-N 2 2 231.299 1.940 20 10 BDCDLP CCOc1cccc(C[NH2+][C@H](C)C[NH2+]C)c1O ZINC000853248084 588728949 /nfs/dbraw/zinc/72/89/49/588728949.db2.gz AKKSPAXJUNPWMU-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000854230947 588781016 /nfs/dbraw/zinc/78/10/16/588781016.db2.gz CDAHMAHFXOIJMU-VHSXEESVSA-N 2 2 208.305 1.651 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cc(OC)ccc1O ZINC000841046335 584124441 /nfs/dbraw/zinc/12/44/41/584124441.db2.gz AEYCMLZWPHBXSM-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1O ZINC000841059060 584125685 /nfs/dbraw/zinc/12/56/85/584125685.db2.gz LHRFRMQUBYLLIB-JQWIXIFHSA-N 2 2 220.316 1.480 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459102 584610730 /nfs/dbraw/zinc/61/07/30/584610730.db2.gz BDSZAGCCZUPYDC-QNWHQSFQSA-N 2 2 244.338 1.862 20 10 BDCDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945165 584992064 /nfs/dbraw/zinc/99/20/64/584992064.db2.gz WARRLEVCSNVKJT-JQWIXIFHSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@H]1C[C@@H]([NH2+]CC[NH3+])c2c1c(F)ccc2O ZINC000817935454 586843434 /nfs/dbraw/zinc/84/34/34/586843434.db2.gz WERXVXVPVNSXCG-IONNQARKSA-N 2 2 224.279 1.628 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939744 586845567 /nfs/dbraw/zinc/84/55/67/586845567.db2.gz BMYSOVIDKKVCGA-GHMZBOCLSA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944968 586846211 /nfs/dbraw/zinc/84/62/11/586846211.db2.gz QLHSIDGVMVKUSC-APPZFPTMSA-N 2 2 242.269 1.683 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817951402 586847843 /nfs/dbraw/zinc/84/78/43/586847843.db2.gz FKLAJPWYEURIGL-VIFPVBQESA-N 2 2 224.304 1.271 20 10 BDCDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817954135 586849405 /nfs/dbraw/zinc/84/94/05/586849405.db2.gz VGBWOEQFDQRIMN-SECBINFHSA-N 2 2 238.306 1.934 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035758 587938188 /nfs/dbraw/zinc/93/81/88/587938188.db2.gz LKUCVAMQCBCHAM-JTQLQIEISA-N 2 2 224.279 1.373 20 10 BDCDLP [NH3+][C@H](C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000841048045 587939298 /nfs/dbraw/zinc/93/92/98/587939298.db2.gz BKAFASKGXAMUJI-LLVKDONJSA-N 2 2 240.734 1.873 20 10 BDCDLP CCOc1cccc(C[NH2+][C@H](C)C[NH3+])c1O ZINC000841059664 587940824 /nfs/dbraw/zinc/94/08/24/587940824.db2.gz JYCGMTQGPCZUOA-SECBINFHSA-N 2 2 224.304 1.228 20 10 BDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841085447 587946037 /nfs/dbraw/zinc/94/60/37/587946037.db2.gz CPAXBLWNDOXTIG-LLVKDONJSA-N 2 2 238.306 1.761 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000843043831 588075923 /nfs/dbraw/zinc/07/59/23/588075923.db2.gz JPZHSFXFFDEUHK-SNVBAGLBSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000843043831 588075925 /nfs/dbraw/zinc/07/59/25/588075925.db2.gz JPZHSFXFFDEUHK-SNVBAGLBSA-N 2 2 236.315 1.324 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C[NH2+]1 ZINC000863484631 589293136 /nfs/dbraw/zinc/29/31/36/589293136.db2.gz KDHJOHLQDZFPQV-JOYOIKCWSA-N 2 2 238.306 1.761 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000863487944 589293702 /nfs/dbraw/zinc/29/37/02/589293702.db2.gz ZKVWRSHSXDXNHP-GZMMTYOYSA-N 2 2 224.279 1.371 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1O ZINC000863546808 589298127 /nfs/dbraw/zinc/29/81/27/589298127.db2.gz MOIVOXFOUZVUIE-VDDIYKPWSA-N 2 2 238.306 1.932 20 10 BDCDLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923282875 644317905 /nfs/dbraw/zinc/31/79/05/644317905.db2.gz UYDKTIVCDBGCKN-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923282875 644317913 /nfs/dbraw/zinc/31/79/13/644317913.db2.gz UYDKTIVCDBGCKN-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817980962 644995199 /nfs/dbraw/zinc/99/51/99/644995199.db2.gz YOMMZIUDLFVWSL-WCBMZHEXSA-N 2 2 226.295 1.919 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc(F)ccc1O ZINC000380114025 712687633 /nfs/dbraw/zinc/68/76/33/712687633.db2.gz SRBCADYTAUYQGC-MRVPVSSYSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(F)ccc1O ZINC000380114025 712687636 /nfs/dbraw/zinc/68/76/36/712687636.db2.gz SRBCADYTAUYQGC-MRVPVSSYSA-N 2 2 212.268 1.310 20 10 BDCDLP C[N@H+](Cc1ccccc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000386444806 711030220 /nfs/dbraw/zinc/03/02/20/711030220.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000386444806 711030225 /nfs/dbraw/zinc/03/02/25/711030225.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 2 2 246.354 1.918 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC001236899616 979788713 /nfs/dbraw/zinc/78/87/13/979788713.db2.gz NGSJAISKTXWPHP-QMMMGPOBSA-N 2 2 224.304 1.185 20 10 BDCDLP Cc1c(O)ccc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC001236899616 979788718 /nfs/dbraw/zinc/78/87/18/979788718.db2.gz NGSJAISKTXWPHP-QMMMGPOBSA-N 2 2 224.304 1.185 20 10 BDCDLP COc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206710983 966186018 /nfs/dbraw/zinc/18/60/18/966186018.db2.gz CEAZLKMVHPVMOL-UHFFFAOYSA-N 2 2 236.315 1.181 20 10 BDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692221 /nfs/dbraw/zinc/69/22/21/966692221.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692230 /nfs/dbraw/zinc/69/22/30/966692230.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692239 /nfs/dbraw/zinc/69/22/39/966692239.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692244 /nfs/dbraw/zinc/69/22/44/966692244.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 2 2 246.354 1.918 20 10 BDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(F)ccc1O ZINC000383004249 966931506 /nfs/dbraw/zinc/93/15/06/966931506.db2.gz YPRMLWUEURWVTI-MRVPVSSYSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(F)ccc1O ZINC000383004249 966931516 /nfs/dbraw/zinc/93/15/16/966931516.db2.gz YPRMLWUEURWVTI-MRVPVSSYSA-N 2 2 212.268 1.310 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204931879 967237501 /nfs/dbraw/zinc/23/75/01/967237501.db2.gz GBQQEQKOFXJYAM-CYBMUJFWSA-N 2 2 219.332 1.582 20 10 BDCDLP Nc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204931879 967237512 /nfs/dbraw/zinc/23/75/12/967237512.db2.gz GBQQEQKOFXJYAM-CYBMUJFWSA-N 2 2 219.332 1.582 20 10 BDCDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001204945050 967251258 /nfs/dbraw/zinc/25/12/58/967251258.db2.gz DTFYTQRLLSPLHZ-ZDUSSCGKSA-N 2 2 219.332 1.582 20 10 BDCDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001204945050 967251269 /nfs/dbraw/zinc/25/12/69/967251269.db2.gz DTFYTQRLLSPLHZ-ZDUSSCGKSA-N 2 2 219.332 1.582 20 10 BDCDLP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC001336116982 977512805 /nfs/dbraw/zinc/51/28/05/977512805.db2.gz JUMNJHFEPAIIIC-GXTWGEPZSA-N 2 2 231.343 1.453 20 10 BDCDLP Nc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC001336116982 977512813 /nfs/dbraw/zinc/51/28/13/977512813.db2.gz JUMNJHFEPAIIIC-GXTWGEPZSA-N 2 2 231.343 1.453 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001336286232 977618587 /nfs/dbraw/zinc/61/85/87/977618587.db2.gz PNUBGHFTNIZYNH-GWCFXTLKSA-N 2 2 219.332 1.499 20 10 BDCDLP Nc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235168196 978987559 /nfs/dbraw/zinc/98/75/59/978987559.db2.gz CUPITLACVJVSBL-WCQYABFASA-N 2 2 217.316 1.192 20 10 BDCDLP Nc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235168196 978987564 /nfs/dbraw/zinc/98/75/64/978987564.db2.gz CUPITLACVJVSBL-WCQYABFASA-N 2 2 217.316 1.192 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981902 979259510 /nfs/dbraw/zinc/25/95/10/979259510.db2.gz SNWJDUQPCBVJEQ-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981902 979259527 /nfs/dbraw/zinc/25/95/27/979259527.db2.gz SNWJDUQPCBVJEQ-SMDDNHRTSA-N 2 2 248.326 1.324 20 10 BDCDLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N)cc2)C1 ZINC001236048098 979343997 /nfs/dbraw/zinc/34/39/97/979343997.db2.gz BQJXVEFYTUHEAU-GWCFXTLKSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236048098 979344005 /nfs/dbraw/zinc/34/40/05/979344005.db2.gz BQJXVEFYTUHEAU-GWCFXTLKSA-N 2 2 219.332 1.438 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236246420 979466255 /nfs/dbraw/zinc/46/62/55/979466255.db2.gz AJXFUSBNIAVYRM-LLVKDONJSA-N 2 2 236.315 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236246420 979466260 /nfs/dbraw/zinc/46/62/60/979466260.db2.gz AJXFUSBNIAVYRM-LLVKDONJSA-N 2 2 236.315 1.329 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000295847758 183296697 /nfs/dbraw/zinc/29/66/97/183296697.db2.gz FYFAORUYZCJYMX-GFCCVEGCSA-N 2 2 243.310 1.866 20 10 BDCDLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1O ZINC000289516722 386320850 /nfs/dbraw/zinc/32/08/50/386320850.db2.gz FTFDYVJGIWMNFF-UHFFFAOYSA-N 2 2 245.326 1.800 20 10 BDCDLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1O ZINC000289516722 386320857 /nfs/dbraw/zinc/32/08/57/386320857.db2.gz FTFDYVJGIWMNFF-UHFFFAOYSA-N 2 2 245.326 1.800 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377630140 387733980 /nfs/dbraw/zinc/73/39/80/387733980.db2.gz SMMADERERHGCJI-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377630140 387733986 /nfs/dbraw/zinc/73/39/86/387733986.db2.gz SMMADERERHGCJI-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000853248926 588728855 /nfs/dbraw/zinc/72/88/55/588728855.db2.gz LWPLZPMVZQXKGJ-ZETCQYMHSA-N 2 2 246.713 1.882 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484856 583992124 /nfs/dbraw/zinc/99/21/24/583992124.db2.gz NYUXJVCBLDKPRW-YPMHNXCESA-N 2 2 234.343 1.931 20 10 BDCDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000902446228 584594141 /nfs/dbraw/zinc/59/41/41/584594141.db2.gz SSAZZMAUXADVQM-WCQYABFASA-N 2 2 246.354 1.967 20 10 BDCDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000841076981 584761390 /nfs/dbraw/zinc/76/13/90/584761390.db2.gz VSPHSJXLLRAZLE-SFYZADRCSA-N 2 2 228.723 1.871 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817951068 584991963 /nfs/dbraw/zinc/99/19/63/584991963.db2.gz AWLZTZIGBHAJHS-NSHDSACASA-N 2 2 222.332 1.879 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939749 584991971 /nfs/dbraw/zinc/99/19/71/584991971.db2.gz BMYSOVIDKKVCGA-WDEREUQCSA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)cc(F)c1O ZINC000817971846 584993327 /nfs/dbraw/zinc/99/33/27/584993327.db2.gz HTTHQUSQVAMYDZ-NKWVEPMBSA-N 2 2 230.258 1.668 20 10 BDCDLP C[C@H]1C[C@H]([NH2+]CC[NH3+])c2c1c(F)ccc2O ZINC000817935452 586842927 /nfs/dbraw/zinc/84/29/27/586842927.db2.gz WERXVXVPVNSXCG-CBAPKCEASA-N 2 2 224.279 1.628 20 10 BDCDLP CC[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1O ZINC000817937322 586844754 /nfs/dbraw/zinc/84/47/54/586844754.db2.gz WQQAGTCTODLWPA-JTQLQIEISA-N 2 2 212.268 1.531 20 10 BDCDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951226 586847489 /nfs/dbraw/zinc/84/74/89/586847489.db2.gz BXLWVNNXVCZYHA-MWLCHTKSSA-N 2 2 238.306 1.934 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817951316 586847545 /nfs/dbraw/zinc/84/75/45/586847545.db2.gz DFHHVKYRHCWEJQ-NSHDSACASA-N 2 2 220.316 1.579 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817953169 586848544 /nfs/dbraw/zinc/84/85/44/586848544.db2.gz OAGOLQLPSXRSIJ-NSHDSACASA-N 2 2 221.348 1.623 20 10 BDCDLP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817961664 586853144 /nfs/dbraw/zinc/85/31/44/586853144.db2.gz BXTVQJUKHQXSBW-SFYZADRCSA-N 2 2 244.285 1.916 20 10 BDCDLP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817964892 586853632 /nfs/dbraw/zinc/85/36/32/586853632.db2.gz IPPLOYFJABWOTR-ZETCQYMHSA-N 2 2 242.269 1.540 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841032990 587937229 /nfs/dbraw/zinc/93/72/29/587937229.db2.gz LJCDORZLEHISME-LBPRGKRZSA-N 2 2 238.306 1.763 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841036137 587937471 /nfs/dbraw/zinc/93/74/71/587937471.db2.gz ORUBTBKLAAUNLV-UHFFFAOYSA-N 2 2 246.713 1.884 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(Cl)ccc1O ZINC000841037723 587937821 /nfs/dbraw/zinc/93/78/21/587937821.db2.gz UHRKSNZKXNNEHQ-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP COc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000841042260 587938368 /nfs/dbraw/zinc/93/83/68/587938368.db2.gz HQOPMCQRAFBVIG-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP Oc1c(F)cccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841042617 587938783 /nfs/dbraw/zinc/93/87/83/587938783.db2.gz LTHOSMCSECAYGJ-SNVBAGLBSA-N 2 2 224.279 1.373 20 10 BDCDLP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000841045088 587939034 /nfs/dbraw/zinc/93/90/34/587939034.db2.gz OFGVIADWYRCUCC-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP C[C@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1O ZINC000841052679 587939729 /nfs/dbraw/zinc/93/97/29/587939729.db2.gz VVINBLGSRHCNNJ-MRVPVSSYSA-N 2 2 228.723 1.873 20 10 BDCDLP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1O ZINC000841052680 587940109 /nfs/dbraw/zinc/94/01/09/587940109.db2.gz VVINBLGSRHCNNJ-QMMMGPOBSA-N 2 2 228.723 1.873 20 10 BDCDLP C[C@H](C[NH3+])C[NH2+]Cc1cccc(Cl)c1O ZINC000841049790 587940218 /nfs/dbraw/zinc/94/02/18/587940218.db2.gz WKFULCNIHXSPNW-MRVPVSSYSA-N 2 2 228.723 1.730 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058451 587940891 /nfs/dbraw/zinc/94/08/91/587940891.db2.gz HEMWVDSLODJIKO-BXKDBHETSA-N 2 2 238.306 1.619 20 10 BDCDLP Cc1cc(Cl)cc(C[N@H+](C)CC[NH3+])c1O ZINC000841100955 587946583 /nfs/dbraw/zinc/94/65/83/587946583.db2.gz PVGJSPYIGOTONO-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP Cc1cc(Cl)cc(C[N@@H+](C)CC[NH3+])c1O ZINC000841100955 587946585 /nfs/dbraw/zinc/94/65/85/587946585.db2.gz PVGJSPYIGOTONO-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000843047405 588076329 /nfs/dbraw/zinc/07/63/29/588076329.db2.gz UKACUYQNMRELBJ-NQHOJNORSA-N 2 2 245.370 1.799 20 10 BDCDLP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000843047405 588076331 /nfs/dbraw/zinc/07/63/31/588076331.db2.gz UKACUYQNMRELBJ-NQHOJNORSA-N 2 2 245.370 1.799 20 10 BDCDLP COc1cccc(O)c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000843052293 588077166 /nfs/dbraw/zinc/07/71/66/588077166.db2.gz SHOOHMOFDFWMAL-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000843052293 588077168 /nfs/dbraw/zinc/07/71/68/588077168.db2.gz SHOOHMOFDFWMAL-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000863484410 589293031 /nfs/dbraw/zinc/29/30/31/589293031.db2.gz YFXIUHMHCNKXCT-QWHCGFSZSA-N 2 2 234.343 1.931 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863547802 589298553 /nfs/dbraw/zinc/29/85/53/589298553.db2.gz ZQQKIENLKOAHPA-VDDIYKPWSA-N 2 2 238.306 1.932 20 10 BDCDLP Cc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1O ZINC000863651448 589307224 /nfs/dbraw/zinc/30/72/24/589307224.db2.gz JBBABRCXAWJANJ-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1O ZINC000863651448 589307226 /nfs/dbraw/zinc/30/72/26/589307226.db2.gz JBBABRCXAWJANJ-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000876985693 590265402 /nfs/dbraw/zinc/26/54/02/590265402.db2.gz MSIRUNSCHBAPHN-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000876985693 590265403 /nfs/dbraw/zinc/26/54/03/590265403.db2.gz MSIRUNSCHBAPHN-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP COc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000131410323 591607979 /nfs/dbraw/zinc/60/79/79/591607979.db2.gz HGDURUAAKHPPFE-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000131410323 591607980 /nfs/dbraw/zinc/60/79/80/591607980.db2.gz HGDURUAAKHPPFE-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000259018533 635234512 /nfs/dbraw/zinc/23/45/12/635234512.db2.gz YKFVJQIKIUESHB-ZDUSSCGKSA-N 2 2 232.327 1.463 20 10 BDCDLP CC1(C)C[N@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000720745508 712863328 /nfs/dbraw/zinc/86/33/28/712863328.db2.gz CFHPTRZHOGIRSW-GFCCVEGCSA-N 2 2 220.316 1.561 20 10 BDCDLP CC1(C)C[N@@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000720745508 712863330 /nfs/dbraw/zinc/86/33/30/712863330.db2.gz CFHPTRZHOGIRSW-GFCCVEGCSA-N 2 2 220.316 1.561 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000019 711418122 /nfs/dbraw/zinc/41/81/22/711418122.db2.gz BPPGBQOCPDANQL-OCCSQVGLSA-N 2 2 247.386 1.983 20 10 BDCDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726131 711368931 /nfs/dbraw/zinc/36/89/31/711368931.db2.gz YSWDGASQCPBEAK-DOMZBBRYSA-N 2 2 247.386 1.983 20 10 BDCDLP COc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC000405771764 971304025 /nfs/dbraw/zinc/30/40/25/971304025.db2.gz ABJSJTCTMYHMLP-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC000405771764 971304037 /nfs/dbraw/zinc/30/40/37/971304037.db2.gz ABJSJTCTMYHMLP-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP Cc1cc(F)cc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204801834 963687809 /nfs/dbraw/zinc/68/78/09/963687809.db2.gz VJTPZKZANDOJNW-ZDUSSCGKSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(F)cc(C[N@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204801834 963687819 /nfs/dbraw/zinc/68/78/19/963687819.db2.gz VJTPZKZANDOJNW-ZDUSSCGKSA-N 2 2 238.306 1.763 20 10 BDCDLP COc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1O ZINC000383002063 966897657 /nfs/dbraw/zinc/89/76/57/966897657.db2.gz VHTSFIKQYYLDDL-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1O ZINC000383002063 966897665 /nfs/dbraw/zinc/89/76/65/966897665.db2.gz VHTSFIKQYYLDDL-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP C[N@H+](Cc1ccccc1O)Cc1c[nH+]ccc1N ZINC001209737632 969598224 /nfs/dbraw/zinc/59/82/24/969598224.db2.gz QYWKTXCCJAKTMA-UHFFFAOYSA-N 2 2 243.310 1.832 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)Cc1c[nH+]ccc1N ZINC001209737632 969598231 /nfs/dbraw/zinc/59/82/31/969598231.db2.gz QYWKTXCCJAKTMA-UHFFFAOYSA-N 2 2 243.310 1.832 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C[NH2+]1 ZINC001246170483 987532863 /nfs/dbraw/zinc/53/28/63/987532863.db2.gz KRNDNBPBSKZQQK-ZWNOBZJWSA-N 2 2 219.332 1.499 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N)cc2)C[NH2+]1 ZINC001246170480 987534575 /nfs/dbraw/zinc/53/45/75/987534575.db2.gz KRNDNBPBSKZQQK-GWCFXTLKSA-N 2 2 219.332 1.499 20 10 BDCDLP C[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858796 988591767 /nfs/dbraw/zinc/59/17/67/988591767.db2.gz BWWFLEYWTIASJP-AAEUAGOBSA-N 2 2 234.343 1.965 20 10 BDCDLP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C[NH2+]1 ZINC001246858796 988591782 /nfs/dbraw/zinc/59/17/82/988591782.db2.gz BWWFLEYWTIASJP-AAEUAGOBSA-N 2 2 234.343 1.965 20 10 BDCDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546030 173123966 /nfs/dbraw/zinc/12/39/66/173123966.db2.gz XQFLFERGZXYKHM-CYBMUJFWSA-N 2 2 232.327 1.415 20 10 BDCDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546030 173123969 /nfs/dbraw/zinc/12/39/69/173123969.db2.gz XQFLFERGZXYKHM-CYBMUJFWSA-N 2 2 232.327 1.415 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000853248712 588729208 /nfs/dbraw/zinc/72/92/08/588729208.db2.gz IUIPPLPXHQUSHD-SZZPACECSA-N 2 2 247.386 1.963 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000854231720 583083757 /nfs/dbraw/zinc/08/37/57/583083757.db2.gz KSAWDYFCXHIHRK-JGVFFNPUSA-N 2 2 244.285 1.929 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1O ZINC000841059062 584125820 /nfs/dbraw/zinc/12/58/20/584125820.db2.gz LHRFRMQUBYLLIB-ZYHUDNBSSA-N 2 2 220.316 1.480 20 10 BDCDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951619 586847715 /nfs/dbraw/zinc/84/77/15/586847715.db2.gz HOSVXMSNMAKAKG-GXSJLCMTSA-N 2 2 238.306 1.934 20 10 BDCDLP CC[C@H]([NH2+]CC[NH2+]C)c1ccccc1O ZINC000817952231 586848345 /nfs/dbraw/zinc/84/83/45/586848345.db2.gz OOWYECGDXMHXCP-NSHDSACASA-N 2 2 208.305 1.652 20 10 BDCDLP C[NH2+]CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817952648 586848673 /nfs/dbraw/zinc/84/86/73/586848673.db2.gz RZBKCELBNXOGHL-JTQLQIEISA-N 2 2 206.289 1.189 20 10 BDCDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1O ZINC000817965749 586855533 /nfs/dbraw/zinc/85/55/33/586855533.db2.gz ZQCVKABJQUCHKS-NSHDSACASA-N 2 2 238.331 1.279 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026422 587935562 /nfs/dbraw/zinc/93/55/62/587935562.db2.gz BEMROARJHZPSSO-PWSUYJOCSA-N 2 2 248.326 1.195 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026422 587935563 /nfs/dbraw/zinc/93/55/63/587935563.db2.gz BEMROARJHZPSSO-PWSUYJOCSA-N 2 2 248.326 1.195 20 10 BDCDLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000841029670 587935898 /nfs/dbraw/zinc/93/58/98/587935898.db2.gz YDFLDGCFJFOXRH-LLVKDONJSA-N 2 2 240.734 1.873 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841037279 587937737 /nfs/dbraw/zinc/93/77/37/587937737.db2.gz WFSIBOYBWVBFFA-UHFFFAOYSA-N 2 2 225.311 1.201 20 10 BDCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000841045618 587939215 /nfs/dbraw/zinc/93/92/15/587939215.db2.gz ZCDZYVYGMCYQOM-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP CC(C)C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046303 587939270 /nfs/dbraw/zinc/93/92/70/587939270.db2.gz ZOIANTYLNDPVTR-CQSZACIVSA-N 2 2 235.375 1.998 20 10 BDCDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841045289 587939277 /nfs/dbraw/zinc/93/92/77/587939277.db2.gz RTGQZJGWHHTFKJ-VIFPVBQESA-N 2 2 244.697 1.636 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843046926 588075942 /nfs/dbraw/zinc/07/59/42/588075942.db2.gz FMUKHBMASMQTNV-SNVBAGLBSA-N 2 2 238.306 1.702 20 10 BDCDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843046926 588075944 /nfs/dbraw/zinc/07/59/44/588075944.db2.gz FMUKHBMASMQTNV-SNVBAGLBSA-N 2 2 238.306 1.702 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045797 588076032 /nfs/dbraw/zinc/07/60/32/588076032.db2.gz WKJUASXXOAVTPX-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045797 588076033 /nfs/dbraw/zinc/07/60/33/588076033.db2.gz WKJUASXXOAVTPX-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000863483135 589292842 /nfs/dbraw/zinc/29/28/42/589292842.db2.gz LCCZKOIGKNPJLT-NWDGAFQWSA-N 2 2 220.316 1.622 20 10 BDCDLP CCOc1ccc(C[N@@H+](CC)CC[NH3+])c(O)c1 ZINC000863644957 589306711 /nfs/dbraw/zinc/30/67/11/589306711.db2.gz NHZCHEMUPIUBSW-UHFFFAOYSA-N 2 2 238.331 1.572 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1O ZINC000309625055 632587025 /nfs/dbraw/zinc/58/70/25/632587025.db2.gz PYEFGQXGGGSROE-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1O ZINC000309625055 632587040 /nfs/dbraw/zinc/58/70/40/632587040.db2.gz PYEFGQXGGGSROE-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841064776 636973971 /nfs/dbraw/zinc/97/39/71/636973971.db2.gz JLAWDFRSBBKWGC-FZMZJTMJSA-N 2 2 246.354 1.852 20 10 BDCDLP CCOc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1O ZINC000382998407 710976326 /nfs/dbraw/zinc/97/63/26/710976326.db2.gz NPMVRSBOEMBQLP-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1O ZINC000382998407 710976328 /nfs/dbraw/zinc/97/63/28/710976328.db2.gz NPMVRSBOEMBQLP-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172338 979432292 /nfs/dbraw/zinc/43/22/92/979432292.db2.gz YTKIVFWZGQHLCS-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172338 979432302 /nfs/dbraw/zinc/43/23/02/979432302.db2.gz YTKIVFWZGQHLCS-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001236864814 979773853 /nfs/dbraw/zinc/77/38/53/979773853.db2.gz FQDGGLDXRQUAAF-ZDUSSCGKSA-N 2 2 235.375 1.922 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001236864814 979773869 /nfs/dbraw/zinc/77/38/69/979773869.db2.gz FQDGGLDXRQUAAF-ZDUSSCGKSA-N 2 2 235.375 1.922 20 10 BDCDLP COc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206712134 966257841 /nfs/dbraw/zinc/25/78/41/966257841.db2.gz SKHSXEMLSJZYLF-UHFFFAOYSA-N 2 2 236.315 1.181 20 10 BDCDLP CN(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206712232 966264143 /nfs/dbraw/zinc/26/41/43/966264143.db2.gz XZDBPXATYUWSJH-UHFFFAOYSA-N 2 2 233.359 1.533 20 10 BDCDLP CCc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236909643 966614820 /nfs/dbraw/zinc/61/48/20/966614820.db2.gz TZOUGVBOGHVIBY-JTQLQIEISA-N 2 2 222.332 1.734 20 10 BDCDLP CCc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236909643 966614826 /nfs/dbraw/zinc/61/48/26/966614826.db2.gz TZOUGVBOGHVIBY-JTQLQIEISA-N 2 2 222.332 1.734 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001337838216 978519804 /nfs/dbraw/zinc/51/98/04/978519804.db2.gz KQTVDHCFPRDPIF-LBPRGKRZSA-N 2 2 205.305 1.192 20 10 BDCDLP Nc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001337838216 978519815 /nfs/dbraw/zinc/51/98/15/978519815.db2.gz KQTVDHCFPRDPIF-LBPRGKRZSA-N 2 2 205.305 1.192 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976291 979243742 /nfs/dbraw/zinc/24/37/42/979243742.db2.gz AQUPKDDHTXAGII-DZGCQCFKSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976291 979243752 /nfs/dbraw/zinc/24/37/52/979243752.db2.gz AQUPKDDHTXAGII-DZGCQCFKSA-N 2 2 245.370 1.676 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001236027853 979324271 /nfs/dbraw/zinc/32/42/71/979324271.db2.gz QGZKVXYLPPUSSB-UKRRQHHQSA-N 2 2 245.370 1.594 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001236027853 979324276 /nfs/dbraw/zinc/32/42/76/979324276.db2.gz QGZKVXYLPPUSSB-UKRRQHHQSA-N 2 2 245.370 1.594 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000113328533 188327379 /nfs/dbraw/zinc/32/73/79/188327379.db2.gz AKXSCKCBUKFUPR-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000113328533 188327380 /nfs/dbraw/zinc/32/73/80/188327380.db2.gz AKXSCKCBUKFUPR-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP c1cc(C[NH2+]CC[NH+]2CCCC2)cc2c1OCC2 ZINC000037362795 183368550 /nfs/dbraw/zinc/36/85/50/183368550.db2.gz NEJHEBRDCQBRRF-UHFFFAOYSA-N 2 2 246.354 1.807 20 10 BDCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000163759143 173034443 /nfs/dbraw/zinc/03/44/43/173034443.db2.gz QCBLHTHXXQCFSM-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000163759143 173034446 /nfs/dbraw/zinc/03/44/46/173034446.db2.gz QCBLHTHXXQCFSM-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP COc1ccc(O)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119344 175159197 /nfs/dbraw/zinc/15/91/97/175159197.db2.gz VJHRNEORHOZIOX-UHFFFAOYSA-N 2 2 247.298 1.387 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000854231701 588781458 /nfs/dbraw/zinc/78/14/58/588781458.db2.gz JYUAWASRADADPQ-RKDXNWHRSA-N 2 2 226.295 1.790 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841041644 584118283 /nfs/dbraw/zinc/11/82/83/584118283.db2.gz CLGKMOWLSHMUMG-NSHDSACASA-N 2 2 240.734 1.887 20 10 BDCDLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902472160 584601156 /nfs/dbraw/zinc/60/11/56/584601156.db2.gz YEGRXDCRTNPZJX-YRRQLQLVSA-N 2 2 232.327 1.936 20 10 BDCDLP C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](C)[NH3+] ZINC000841076980 584761554 /nfs/dbraw/zinc/76/15/54/584761554.db2.gz VSPHSJXLLRAZLE-JGVFFNPUSA-N 2 2 228.723 1.871 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960766 584828049 /nfs/dbraw/zinc/82/80/49/584828049.db2.gz YZAACMPGGFUGKN-DGCLKSJQSA-N 2 2 234.343 1.707 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000876962102 584888268 /nfs/dbraw/zinc/88/82/68/584888268.db2.gz MCVFUBXXZNIEDZ-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000876962102 584888269 /nfs/dbraw/zinc/88/82/69/584888269.db2.gz MCVFUBXXZNIEDZ-LBPRGKRZSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1C ZINC000776175030 585691674 /nfs/dbraw/zinc/69/16/74/585691674.db2.gz VWYWJPRRHCUJIA-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@H]2CC[N@H+](C)C2)cc1C ZINC000776175030 585691675 /nfs/dbraw/zinc/69/16/75/585691675.db2.gz VWYWJPRRHCUJIA-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP C[C@@H]1C[C@@H]([NH2+]CC[NH3+])c2c1c(F)ccc2O ZINC000817935456 586843537 /nfs/dbraw/zinc/84/35/37/586843537.db2.gz WERXVXVPVNSXCG-VXNVDRBHSA-N 2 2 224.279 1.628 20 10 BDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CC[NH3+])c1O ZINC000817937613 586844261 /nfs/dbraw/zinc/84/42/61/586844261.db2.gz YKDMECOPRATMEY-QMMMGPOBSA-N 2 2 228.723 1.963 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940476 586845094 /nfs/dbraw/zinc/84/50/94/586845094.db2.gz ICLBGZVTQSBFHF-GXSJLCMTSA-N 2 2 238.306 1.934 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817952435 586847941 /nfs/dbraw/zinc/84/79/41/586847941.db2.gz PSKYLHVBYOGTSZ-SNVBAGLBSA-N 2 2 208.305 1.571 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817951219 586848085 /nfs/dbraw/zinc/84/80/85/586848085.db2.gz BRYAWAJVQSXNMS-SNVBAGLBSA-N 2 2 208.305 1.571 20 10 BDCDLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817974172 586860441 /nfs/dbraw/zinc/86/04/41/586860441.db2.gz ZXGLGKUJQDQNIF-KWQFWETISA-N 2 2 226.295 1.919 20 10 BDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000841035043 587937119 /nfs/dbraw/zinc/93/71/19/587937119.db2.gz HFOUWFFLZKNDLJ-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000841033042 587937246 /nfs/dbraw/zinc/93/72/46/587937246.db2.gz NDPFSQFFWMIRSC-ZDUSSCGKSA-N 2 2 234.343 1.932 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841036319 587937476 /nfs/dbraw/zinc/93/74/76/587937476.db2.gz RKJKIDGAVQQTFJ-AWEZNQCLSA-N 2 2 247.386 1.903 20 10 BDCDLP CCN(CC)c1ccc(C[NH2+]CC[NH2+]C)cc1 ZINC000841035651 587937672 /nfs/dbraw/zinc/93/76/72/587937672.db2.gz LMKITGVWZVRQJV-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841037041 587937837 /nfs/dbraw/zinc/93/78/37/587937837.db2.gz OIOONBWKBIXAIS-UHFFFAOYSA-N 2 2 239.338 1.591 20 10 BDCDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841037550 587938100 /nfs/dbraw/zinc/93/81/00/587938100.db2.gz AMIMARMOGUGEJD-LLVKDONJSA-N 2 2 240.322 1.994 20 10 BDCDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000841044814 587938942 /nfs/dbraw/zinc/93/89/42/587938942.db2.gz IWTQEEZARWYBKW-LLVKDONJSA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000841045294 587939314 /nfs/dbraw/zinc/93/93/14/587939314.db2.gz RWMBHNISLYVOCP-NSHDSACASA-N 2 2 206.289 1.152 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841058004 587940667 /nfs/dbraw/zinc/94/06/67/587940667.db2.gz DPJGAQOAFIYNQC-RISCZKNCSA-N 2 2 246.354 1.709 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841090407 587945490 /nfs/dbraw/zinc/94/54/90/587945490.db2.gz OQBGADUQGHAIPB-LBPRGKRZSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000843049587 588076620 /nfs/dbraw/zinc/07/66/20/588076620.db2.gz RQOVUHLAWGIXCM-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000843049587 588076622 /nfs/dbraw/zinc/07/66/22/588076622.db2.gz RQOVUHLAWGIXCM-ZDUSSCGKSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000843049221 588077223 /nfs/dbraw/zinc/07/72/23/588077223.db2.gz HJLGYMATNJHXTE-OAHLLOKOSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000843049221 588077225 /nfs/dbraw/zinc/07/72/25/588077225.db2.gz HJLGYMATNJHXTE-OAHLLOKOSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863483823 589293248 /nfs/dbraw/zinc/29/32/48/589293248.db2.gz DULUZDOYRXOHSY-YPMHNXCESA-N 2 2 234.343 1.931 20 10 BDCDLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(O)c1 ZINC000876892200 590255143 /nfs/dbraw/zinc/25/51/43/590255143.db2.gz NBCQMOMAZONKDF-UHFFFAOYSA-N 2 2 231.299 1.687 20 10 BDCDLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)c(O)c1 ZINC000877584806 590367572 /nfs/dbraw/zinc/36/75/72/590367572.db2.gz ZBVSYMMFTYTQTH-UHFFFAOYSA-N 2 2 245.326 1.766 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863547710 636719582 /nfs/dbraw/zinc/71/95/82/636719582.db2.gz WBRJBFLVGWUPCA-JFGNBEQYSA-N 2 2 220.316 1.793 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000904448624 637414104 /nfs/dbraw/zinc/41/41/04/637414104.db2.gz ANEDOZLMEAYVPR-UHFFFAOYSA-N 2 2 226.707 1.627 20 10 BDCDLP c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000084516338 644425181 /nfs/dbraw/zinc/42/51/81/644425181.db2.gz XHDMOMAWLFUTIR-CYBMUJFWSA-N 2 2 232.327 1.463 20 10 BDCDLP C[N@H+](Cc1ccccc1O)[C@H]1C[NH+]2CCC1CC2 ZINC000386444794 711030310 /nfs/dbraw/zinc/03/03/10/711030310.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)[C@H]1C[NH+]2CCC1CC2 ZINC000386444794 711030314 /nfs/dbraw/zinc/03/03/14/711030314.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000161284412 711811303 /nfs/dbraw/zinc/81/13/03/711811303.db2.gz VDRMUHNVKNRZOE-UHFFFAOYSA-N 2 2 207.321 1.062 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(F)ccc1O ZINC001236868531 979772545 /nfs/dbraw/zinc/77/25/45/979772545.db2.gz LQAJQGQNRANKLL-NSHDSACASA-N 2 2 226.295 1.700 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(F)ccc1O ZINC001236868531 979772560 /nfs/dbraw/zinc/77/25/60/979772560.db2.gz LQAJQGQNRANKLL-NSHDSACASA-N 2 2 226.295 1.700 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405906239 971318928 /nfs/dbraw/zinc/31/89/28/971318928.db2.gz VPCUIFNDBXVWKO-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405906239 971318934 /nfs/dbraw/zinc/31/89/34/971318934.db2.gz VPCUIFNDBXVWKO-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235159092 966012202 /nfs/dbraw/zinc/01/22/02/966012202.db2.gz QEVNTQULHFMRBG-SMDDNHRTSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235159092 966012211 /nfs/dbraw/zinc/01/22/11/966012211.db2.gz QEVNTQULHFMRBG-SMDDNHRTSA-N 2 2 248.326 1.329 20 10 BDCDLP C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001205880420 967871486 /nfs/dbraw/zinc/87/14/86/967871486.db2.gz FYLYTBNUMTVEAU-MFKMUULPSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001205880420 967871491 /nfs/dbraw/zinc/87/14/91/967871491.db2.gz FYLYTBNUMTVEAU-MFKMUULPSA-N 2 2 219.332 1.438 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049111 978963422 /nfs/dbraw/zinc/96/34/22/978963422.db2.gz RZEYMRVLDUIJGQ-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049111 978963426 /nfs/dbraw/zinc/96/34/26/978963426.db2.gz RZEYMRVLDUIJGQ-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976297 979239265 /nfs/dbraw/zinc/23/92/65/979239265.db2.gz AQUPKDDHTXAGII-ZFWWWQNUSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976297 979239271 /nfs/dbraw/zinc/23/92/71/979239271.db2.gz AQUPKDDHTXAGII-ZFWWWQNUSA-N 2 2 245.370 1.676 20 10 BDCDLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N)cc2)C1 ZINC001236048100 979341490 /nfs/dbraw/zinc/34/14/90/979341490.db2.gz BQJXVEFYTUHEAU-GXFFZTMASA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236048100 979341506 /nfs/dbraw/zinc/34/15/06/979341506.db2.gz BQJXVEFYTUHEAU-GXFFZTMASA-N 2 2 219.332 1.438 20 10 BDCDLP Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059292 979348242 /nfs/dbraw/zinc/34/82/42/979348242.db2.gz FTMVEGDWUXKEIR-JSGCOSHPSA-N 2 2 231.343 1.453 20 10 BDCDLP Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059292 979348248 /nfs/dbraw/zinc/34/82/48/979348248.db2.gz FTMVEGDWUXKEIR-JSGCOSHPSA-N 2 2 231.343 1.453 20 10 BDCDLP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236119645 979397139 /nfs/dbraw/zinc/39/71/39/979397139.db2.gz MMOFQUAGJIOXAE-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236119645 979397150 /nfs/dbraw/zinc/39/71/50/979397150.db2.gz MMOFQUAGJIOXAE-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP C[N@H+](Cc1ccc(N)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206750 979448899 /nfs/dbraw/zinc/44/88/99/979448899.db2.gz LPEPZTCRFHSMFI-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP C[N@@H+](Cc1ccc(N)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206750 979448904 /nfs/dbraw/zinc/44/89/04/979448904.db2.gz LPEPZTCRFHSMFI-AWEZNQCLSA-N 2 2 233.359 1.843 20 10 BDCDLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236898951 979788107 /nfs/dbraw/zinc/78/81/07/979788107.db2.gz DCPXGTZPBANGDK-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236898951 979788111 /nfs/dbraw/zinc/78/81/11/979788111.db2.gz DCPXGTZPBANGDK-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C[NH2+]1 ZINC001246314579 987718717 /nfs/dbraw/zinc/71/87/17/987718717.db2.gz HCZGINPPUWTMOA-GXSJLCMTSA-N 2 2 236.315 1.328 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C[NH2+]1 ZINC001246314582 987720948 /nfs/dbraw/zinc/72/09/48/987720948.db2.gz HCZGINPPUWTMOA-ONGXEEELSA-N 2 2 236.315 1.328 20 10 BDCDLP Oc1cccc2c1C[N@@H+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246866733 988620821 /nfs/dbraw/zinc/62/08/21/988620821.db2.gz CSTWVFPXMRQRBP-GFCCVEGCSA-N 2 2 232.327 1.502 20 10 BDCDLP Oc1cccc2c1C[N@H+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246866733 988620830 /nfs/dbraw/zinc/62/08/30/988620830.db2.gz CSTWVFPXMRQRBP-GFCCVEGCSA-N 2 2 232.327 1.502 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cc(C)ccc1O ZINC000300771255 582580184 /nfs/dbraw/zinc/58/01/84/582580184.db2.gz CUKQVPMIYQVSOR-UHFFFAOYSA-N 2 2 208.305 1.481 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cc(C)ccc1O ZINC000300771255 582580187 /nfs/dbraw/zinc/58/01/87/582580187.db2.gz CUKQVPMIYQVSOR-UHFFFAOYSA-N 2 2 208.305 1.481 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000853248807 588728838 /nfs/dbraw/zinc/72/88/38/588728838.db2.gz KFTWFVRKFDDYTF-JTQLQIEISA-N 2 2 208.305 1.398 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000853248925 588729203 /nfs/dbraw/zinc/72/92/03/588729203.db2.gz LWPLZPMVZQXKGJ-SSDOTTSWSA-N 2 2 246.713 1.882 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000854231101 588781190 /nfs/dbraw/zinc/78/11/90/588781190.db2.gz DTCFXQOFXRBPGM-DTWKUNHWSA-N 2 2 226.295 1.790 20 10 BDCDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000902446223 584594442 /nfs/dbraw/zinc/59/44/42/584594442.db2.gz SSAZZMAUXADVQM-AAEUAGOBSA-N 2 2 246.354 1.967 20 10 BDCDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000841076145 584741134 /nfs/dbraw/zinc/74/11/34/584741134.db2.gz ASDWYSWNJYHMOZ-YUMQZZPRSA-N 2 2 212.268 1.357 20 10 BDCDLP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)c(O)c1 ZINC000877141569 584890970 /nfs/dbraw/zinc/89/09/70/584890970.db2.gz ABXAGEVGFNJNGR-UHFFFAOYSA-N 2 2 234.343 1.886 20 10 BDCDLP Oc1c(F)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000779030524 585744369 /nfs/dbraw/zinc/74/43/69/585744369.db2.gz OFCSVWWUOJEJRO-PHIMTYICSA-N 2 2 236.290 1.183 20 10 BDCDLP C[C@@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1O ZINC000817935008 586843274 /nfs/dbraw/zinc/84/32/74/586843274.db2.gz SMBMBPMGMSXRFO-SSDOTTSWSA-N 2 2 214.696 1.655 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000817952558 586847771 /nfs/dbraw/zinc/84/77/71/586847771.db2.gz FVXXUNYWHXQZHR-GFCCVEGCSA-N 2 2 232.327 1.721 20 10 BDCDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817970050 586853076 /nfs/dbraw/zinc/85/30/76/586853076.db2.gz KHDXHVNKKFDADO-YUMQZZPRSA-N 2 2 212.268 1.529 20 10 BDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000841035045 587936950 /nfs/dbraw/zinc/93/69/50/587936950.db2.gz HFOUWFFLZKNDLJ-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000841033623 587937324 /nfs/dbraw/zinc/93/73/24/587937324.db2.gz YCLKGVALSPZMEM-ZDUSSCGKSA-N 2 2 234.343 1.932 20 10 BDCDLP C[NH2+]CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841041413 587938643 /nfs/dbraw/zinc/93/86/43/587938643.db2.gz FMQLNHXKMRMODD-UHFFFAOYSA-N 2 2 246.713 1.884 20 10 BDCDLP [NH3+][C@H](C[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000841048557 587939123 /nfs/dbraw/zinc/93/91/23/587939123.db2.gz FDFREPAAMTYVFJ-LLVKDONJSA-N 2 2 224.279 1.358 20 10 BDCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841077574 587944595 /nfs/dbraw/zinc/94/45/95/587944595.db2.gz BUPQASIIFIKBSG-QWRGUYRKSA-N 2 2 224.279 1.182 20 10 BDCDLP Nc1ccc([NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848715187 588407948 /nfs/dbraw/zinc/40/79/48/588407948.db2.gz PSWZBZUJYRCSDI-PWSUYJOCSA-N 2 2 205.305 1.951 20 10 BDCDLP C[N@H+](Cc1cccc(F)c1O)CC(C)(C)[NH3+] ZINC000849350232 588474958 /nfs/dbraw/zinc/47/49/58/588474958.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 2 2 226.295 1.700 20 10 BDCDLP C[N@@H+](Cc1cccc(F)c1O)CC(C)(C)[NH3+] ZINC000849350232 588474959 /nfs/dbraw/zinc/47/49/59/588474959.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 2 2 226.295 1.700 20 10 BDCDLP Oc1cccc(Cl)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000128315255 590977577 /nfs/dbraw/zinc/97/75/77/590977577.db2.gz MGAQBSRRQLTCDI-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP Oc1cccc(Cl)c1C[N@H+]1CCC[NH2+]CC1 ZINC000128315255 590977578 /nfs/dbraw/zinc/97/75/78/590977578.db2.gz MGAQBSRRQLTCDI-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000128864165 591170004 /nfs/dbraw/zinc/17/00/04/591170004.db2.gz LMCWZHNCFKZXKL-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000128864165 591170008 /nfs/dbraw/zinc/17/00/08/591170008.db2.gz LMCWZHNCFKZXKL-LLVKDONJSA-N 2 2 236.315 1.195 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000133047796 591760154 /nfs/dbraw/zinc/76/01/54/591760154.db2.gz BTJJWVSIDQKNJO-HNNXBMFYSA-N 2 2 247.386 1.936 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000133047796 591760155 /nfs/dbraw/zinc/76/01/55/591760155.db2.gz BTJJWVSIDQKNJO-HNNXBMFYSA-N 2 2 247.386 1.936 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1O ZINC000904462715 637406998 /nfs/dbraw/zinc/40/69/98/637406998.db2.gz RICWHUOAYYQTKH-GFCCVEGCSA-N 2 2 234.343 1.788 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000018 711417136 /nfs/dbraw/zinc/41/71/36/711417136.db2.gz BPPGBQOCPDANQL-JSGCOSHPSA-N 2 2 247.386 1.983 20 10 BDCDLP COc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC000405771774 971302898 /nfs/dbraw/zinc/30/28/98/971302898.db2.gz ABJSJTCTMYHMLP-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC000405771774 971302908 /nfs/dbraw/zinc/30/29/08/971302908.db2.gz ABJSJTCTMYHMLP-ZDUSSCGKSA-N 2 2 236.315 1.324 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204931880 967239785 /nfs/dbraw/zinc/23/97/85/967239785.db2.gz GBQQEQKOFXJYAM-ZDUSSCGKSA-N 2 2 219.332 1.582 20 10 BDCDLP Nc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204931880 967239794 /nfs/dbraw/zinc/23/97/94/967239794.db2.gz GBQQEQKOFXJYAM-ZDUSSCGKSA-N 2 2 219.332 1.582 20 10 BDCDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000400714363 970620024 /nfs/dbraw/zinc/62/00/24/970620024.db2.gz FHLTUKRMAUATTN-DOMZBBRYSA-N 2 2 247.386 1.983 20 10 BDCDLP Nc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC001334774502 976644414 /nfs/dbraw/zinc/64/44/14/976644414.db2.gz KQTVDHCFPRDPIF-GFCCVEGCSA-N 2 2 205.305 1.192 20 10 BDCDLP Nc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC001334774502 976644426 /nfs/dbraw/zinc/64/44/26/976644426.db2.gz KQTVDHCFPRDPIF-GFCCVEGCSA-N 2 2 205.305 1.192 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166642 978987939 /nfs/dbraw/zinc/98/79/39/978987939.db2.gz USMWFUURNDCYGZ-DZGCQCFKSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166642 978987949 /nfs/dbraw/zinc/98/79/49/978987949.db2.gz USMWFUURNDCYGZ-DZGCQCFKSA-N 2 2 245.370 1.676 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N)cc2)C[NH2+]1 ZINC001246170482 987530887 /nfs/dbraw/zinc/53/08/87/987530887.db2.gz KRNDNBPBSKZQQK-MFKMUULPSA-N 2 2 219.332 1.499 20 10 BDCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1O ZINC000037157234 343337431 /nfs/dbraw/zinc/33/74/31/343337431.db2.gz HBINXFCYFXHCDT-LLVKDONJSA-N 2 2 231.299 1.767 20 10 BDCDLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1O ZINC000050227656 350192412 /nfs/dbraw/zinc/19/24/12/350192412.db2.gz KAUWTBDKRLVVCY-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1O ZINC000050227656 350192414 /nfs/dbraw/zinc/19/24/14/350192414.db2.gz KAUWTBDKRLVVCY-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000853249774 588728731 /nfs/dbraw/zinc/72/87/31/588728731.db2.gz VVJIPAYHGWCBNX-JTQLQIEISA-N 2 2 239.338 1.589 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000853248721 588728765 /nfs/dbraw/zinc/72/87/65/588728765.db2.gz JDYRWGSAIPTUNW-SECBINFHSA-N 2 2 224.304 1.098 20 10 BDCDLP CCOc1ccc(O)c(C[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000853250005 588729400 /nfs/dbraw/zinc/72/94/00/588729400.db2.gz XUZNSQOFSPEUAP-JTQLQIEISA-N 2 2 238.331 1.488 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000854232554 588781366 /nfs/dbraw/zinc/78/13/66/588781366.db2.gz SKNSDZOCPDTFDI-GHMZBOCLSA-N 2 2 222.332 1.959 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854232469 588781612 /nfs/dbraw/zinc/78/16/12/588781612.db2.gz QUBXYVCTTFBWAG-GXSJLCMTSA-N 2 2 220.316 1.577 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904381866 584877350 /nfs/dbraw/zinc/87/73/50/584877350.db2.gz WGNCULDIXYUEBO-SMDDNHRTSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1O ZINC000817938957 586844569 /nfs/dbraw/zinc/84/45/69/586844569.db2.gz WHEPHJIQUBHGCT-ZETCQYMHSA-N 2 2 230.258 1.670 20 10 BDCDLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1O ZINC000817937335 586844663 /nfs/dbraw/zinc/84/46/63/586844663.db2.gz WQQAGTCTODLWPA-SNVBAGLBSA-N 2 2 212.268 1.531 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942126 586845613 /nfs/dbraw/zinc/84/56/13/586845613.db2.gz XADDSTHUDCLDOS-GXSJLCMTSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951621 586847670 /nfs/dbraw/zinc/84/76/70/586847670.db2.gz HOSVXMSNMAKAKG-MWLCHTKSSA-N 2 2 238.306 1.934 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817952809 586848788 /nfs/dbraw/zinc/84/87/88/586848788.db2.gz UFYPZYLYJSGDOK-MRVPVSSYSA-N 2 2 244.285 1.931 20 10 BDCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817961263 586852764 /nfs/dbraw/zinc/85/27/64/586852764.db2.gz VZZJHPDNXHVHIR-PELKAZGASA-N 2 2 238.306 1.919 20 10 BDCDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817972235 586859742 /nfs/dbraw/zinc/85/97/42/586859742.db2.gz KLTCAIXGKILTEB-JGVFFNPUSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817977118 586860444 /nfs/dbraw/zinc/86/04/44/586860444.db2.gz BQNXHWPDZLZDLP-VGMNWLOBSA-N 2 2 226.295 1.918 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026829 587935748 /nfs/dbraw/zinc/93/57/48/587935748.db2.gz RNAULVIXCJWGEQ-UHFFFAOYSA-N 2 2 240.734 1.887 20 10 BDCDLP [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000841029677 587936150 /nfs/dbraw/zinc/93/61/50/587936150.db2.gz YDXTWMFSLHUHNI-NSHDSACASA-N 2 2 240.734 1.873 20 10 BDCDLP CC[NH2+]CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841036656 587937759 /nfs/dbraw/zinc/93/77/59/587937759.db2.gz UYDOKHRSJAQWSV-AATRIKPKSA-N 2 2 247.386 1.965 20 10 BDCDLP COc1cccc(O)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036605 587937780 /nfs/dbraw/zinc/93/77/80/587937780.db2.gz SLRVWECWYWRRON-SNVBAGLBSA-N 2 2 236.315 1.242 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1c(O)cccc1OC ZINC000841037224 587938159 /nfs/dbraw/zinc/93/81/59/587938159.db2.gz RALYKLNOUNYZNL-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CC2CC2)cc1 ZINC000841042077 587938603 /nfs/dbraw/zinc/93/86/03/587938603.db2.gz HKJLFBXWGXPBIJ-CQSZACIVSA-N 2 2 233.359 1.752 20 10 BDCDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000841044815 587939196 /nfs/dbraw/zinc/93/91/96/587939196.db2.gz IWTQEEZARWYBKW-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000841045633 587939225 /nfs/dbraw/zinc/93/92/25/587939225.db2.gz ZWYXNAGDOWFGML-NSHDSACASA-N 2 2 206.289 1.152 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059396 587940832 /nfs/dbraw/zinc/94/08/32/587940832.db2.gz RMGNIIKWWRGANC-SWLSCSKDSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000843047349 588074867 /nfs/dbraw/zinc/07/48/67/588074867.db2.gz RKRZXGSWNKEHDR-LBPRGKRZSA-N 2 2 220.316 1.542 20 10 BDCDLP Cc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000843047349 588074868 /nfs/dbraw/zinc/07/48/68/588074868.db2.gz RKRZXGSWNKEHDR-LBPRGKRZSA-N 2 2 220.316 1.542 20 10 BDCDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843048364 588076271 /nfs/dbraw/zinc/07/62/71/588076271.db2.gz MCUKPSGZWIGNTN-VIFPVBQESA-N 2 2 224.279 1.312 20 10 BDCDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843048364 588076273 /nfs/dbraw/zinc/07/62/73/588076273.db2.gz MCUKPSGZWIGNTN-VIFPVBQESA-N 2 2 224.279 1.312 20 10 BDCDLP Nc1ccc([NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848715185 588407980 /nfs/dbraw/zinc/40/79/80/588407980.db2.gz PSWZBZUJYRCSDI-CMPLNLGQSA-N 2 2 205.305 1.951 20 10 BDCDLP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487042 589293849 /nfs/dbraw/zinc/29/38/49/589293849.db2.gz JGZPVZNOANXYKS-GXSJLCMTSA-N 2 2 236.315 1.241 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131377443 591605965 /nfs/dbraw/zinc/60/59/65/591605965.db2.gz NNMLTIGJXBQIBN-CQSZACIVSA-N 2 2 233.359 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131377443 591605966 /nfs/dbraw/zinc/60/59/66/591605966.db2.gz NNMLTIGJXBQIBN-CQSZACIVSA-N 2 2 233.359 1.676 20 10 BDCDLP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000258919087 635224491 /nfs/dbraw/zinc/22/44/91/635224491.db2.gz OGDWVXKKFOTRQL-AWEZNQCLSA-N 2 2 246.354 1.853 20 10 BDCDLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1N(C)C ZINC000923367573 644378045 /nfs/dbraw/zinc/37/80/45/644378045.db2.gz HUSOWLPRKJJIMR-JSGCOSHPSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1N(C)C ZINC000923367573 644378048 /nfs/dbraw/zinc/37/80/48/644378048.db2.gz HUSOWLPRKJJIMR-JSGCOSHPSA-N 2 2 247.386 1.983 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817980959 644995581 /nfs/dbraw/zinc/99/55/81/644995581.db2.gz YOMMZIUDLFVWSL-SCZZXKLOSA-N 2 2 226.295 1.919 20 10 BDCDLP COc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1O ZINC000380612469 712901832 /nfs/dbraw/zinc/90/18/32/712901832.db2.gz YPYVYROCJPJDLX-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1O ZINC000380612469 712901833 /nfs/dbraw/zinc/90/18/33/712901833.db2.gz YPYVYROCJPJDLX-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC000380612470 712901835 /nfs/dbraw/zinc/90/18/35/712901835.db2.gz YPYVYROCJPJDLX-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC000380612470 712901836 /nfs/dbraw/zinc/90/18/36/712901836.db2.gz YPYVYROCJPJDLX-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP CC1(C)C[N@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001336287219 977618533 /nfs/dbraw/zinc/61/85/33/977618533.db2.gz YCYCNQZODAWTIU-GFCCVEGCSA-N 2 2 219.332 1.438 20 10 BDCDLP CC1(C)C[N@@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001336287219 977618541 /nfs/dbraw/zinc/61/85/41/977618541.db2.gz YCYCNQZODAWTIU-GFCCVEGCSA-N 2 2 219.332 1.438 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236028370 979324391 /nfs/dbraw/zinc/32/43/91/979324391.db2.gz POCUVJGAJRJDBO-ZWNOBZJWSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236028370 979324403 /nfs/dbraw/zinc/32/44/03/979324403.db2.gz POCUVJGAJRJDBO-ZWNOBZJWSA-N 2 2 218.300 1.234 20 10 BDCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170293 966288336 /nfs/dbraw/zinc/28/83/36/966288336.db2.gz UUJXPSPKVHJRJU-AWEZNQCLSA-N 2 2 245.370 1.820 20 10 BDCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170293 966288347 /nfs/dbraw/zinc/28/83/47/966288347.db2.gz UUJXPSPKVHJRJU-AWEZNQCLSA-N 2 2 245.370 1.820 20 10 BDCDLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236174428 966298367 /nfs/dbraw/zinc/29/83/67/966298367.db2.gz QJLRTZHODCKWIN-GFCCVEGCSA-N 2 2 220.316 1.488 20 10 BDCDLP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236174428 966298372 /nfs/dbraw/zinc/29/83/72/966298372.db2.gz QJLRTZHODCKWIN-GFCCVEGCSA-N 2 2 220.316 1.488 20 10 BDCDLP C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871379 973243210 /nfs/dbraw/zinc/24/32/10/973243210.db2.gz YWGLXFMBTHVDJX-WCQYABFASA-N 2 2 246.354 1.891 20 10 BDCDLP C[C@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871379 973243227 /nfs/dbraw/zinc/24/32/27/973243227.db2.gz YWGLXFMBTHVDJX-WCQYABFASA-N 2 2 246.354 1.891 20 10 BDCDLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N)cc1 ZINC001235906315 979196431 /nfs/dbraw/zinc/19/64/31/979196431.db2.gz NWYDWBIKZWRUBY-GWCFXTLKSA-N 2 2 219.332 1.580 20 10 BDCDLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N)cc1 ZINC001235906315 979196436 /nfs/dbraw/zinc/19/64/36/979196436.db2.gz NWYDWBIKZWRUBY-GWCFXTLKSA-N 2 2 219.332 1.580 20 10 BDCDLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236253148 979470948 /nfs/dbraw/zinc/47/09/48/979470948.db2.gz SOOZNWAXGIEELE-GFCCVEGCSA-N 2 2 238.306 1.763 20 10 BDCDLP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236253148 979470953 /nfs/dbraw/zinc/47/09/53/979470953.db2.gz SOOZNWAXGIEELE-GFCCVEGCSA-N 2 2 238.306 1.763 20 10 BDCDLP Nc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246170950 987535294 /nfs/dbraw/zinc/53/52/94/987535294.db2.gz PDBZWOMMVKDYFB-ZDUSSCGKSA-N 2 2 219.332 1.501 20 10 BDCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000038086985 183273679 /nfs/dbraw/zinc/27/36/79/183273679.db2.gz ZGLYXXBVGMMNBK-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP Oc1ccc(Cl)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000038086985 183273681 /nfs/dbraw/zinc/27/36/81/183273681.db2.gz ZGLYXXBVGMMNBK-UHFFFAOYSA-N 2 2 240.734 1.841 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042543751 173124467 /nfs/dbraw/zinc/12/44/67/173124467.db2.gz NVCGVMUIBWXUDU-CYBMUJFWSA-N 2 2 233.359 1.546 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042543751 173124469 /nfs/dbraw/zinc/12/44/69/173124469.db2.gz NVCGVMUIBWXUDU-CYBMUJFWSA-N 2 2 233.359 1.546 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000854231376 588781194 /nfs/dbraw/zinc/78/11/94/588781194.db2.gz GSKJPQUSAUWNCD-ZJUUUORDSA-N 2 2 238.331 1.659 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045068 584122480 /nfs/dbraw/zinc/12/24/80/584122480.db2.gz NBFDBFHDSDZRFB-VIFPVBQESA-N 2 2 240.734 1.806 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817971847 584993532 /nfs/dbraw/zinc/99/35/32/584993532.db2.gz HTTHQUSQVAMYDZ-RNFRBKRXSA-N 2 2 230.258 1.668 20 10 BDCDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939747 586844071 /nfs/dbraw/zinc/84/40/71/586844071.db2.gz BMYSOVIDKKVCGA-QWRGUYRKSA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939745 586844904 /nfs/dbraw/zinc/84/49/04/586844904.db2.gz BMYSOVIDKKVCGA-MNOVXSKESA-N 2 2 220.316 1.795 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940481 586845429 /nfs/dbraw/zinc/84/54/29/586845429.db2.gz ICLBGZVTQSBFHF-MWLCHTKSSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945071 586845819 /nfs/dbraw/zinc/84/58/19/586845819.db2.gz SPMLADFWIXWHQA-SCZZXKLOSA-N 2 2 224.279 1.544 20 10 BDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000817944779 586846194 /nfs/dbraw/zinc/84/61/94/586846194.db2.gz LRCLZLLCIOMEPU-MNOVXSKESA-N 2 2 220.316 1.713 20 10 BDCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944411 586846640 /nfs/dbraw/zinc/84/66/40/586846640.db2.gz BHAQGXOCSNXNLP-AAEUAGOBSA-N 2 2 233.359 1.765 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817953200 586846646 /nfs/dbraw/zinc/84/66/46/586846646.db2.gz WWQAKSGXIQXFOQ-ZETCQYMHSA-N 2 2 230.258 1.540 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817951611 586847519 /nfs/dbraw/zinc/84/75/19/586847519.db2.gz HIDRLLHWRJWMBD-NSHDSACASA-N 2 2 222.332 1.961 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000817952560 586848065 /nfs/dbraw/zinc/84/80/65/586848065.db2.gz FVXXUNYWHXQZHR-LBPRGKRZSA-N 2 2 232.327 1.721 20 10 BDCDLP C[NH2+]CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952596 586848072 /nfs/dbraw/zinc/84/80/72/586848072.db2.gz RULDXIWTMGXGDA-WPRPVWTQSA-N 2 2 238.306 1.889 20 10 BDCDLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(C)cc1O ZINC000817953290 586848862 /nfs/dbraw/zinc/84/88/62/586848862.db2.gz YUFDFXMVLAVGMP-LBPRGKRZSA-N 2 2 222.332 1.961 20 10 BDCDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955711 586849828 /nfs/dbraw/zinc/84/98/28/586849828.db2.gz FVJZTQWWVDJCDW-RISCZKNCSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955711 586849830 /nfs/dbraw/zinc/84/98/30/586849830.db2.gz FVJZTQWWVDJCDW-RISCZKNCSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817961265 586852463 /nfs/dbraw/zinc/85/24/63/586852463.db2.gz VZZJHPDNXHVHIR-QPUJVOFHSA-N 2 2 238.306 1.919 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817965828 586854742 /nfs/dbraw/zinc/85/47/42/586854742.db2.gz CPRHXCGBDGRQNH-RNFRBKRXSA-N 2 2 230.258 1.668 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817965829 586855634 /nfs/dbraw/zinc/85/56/34/586855634.db2.gz CPRHXCGBDGRQNH-RQJHMYQMSA-N 2 2 230.258 1.668 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000841037263 587934620 /nfs/dbraw/zinc/93/46/20/587934620.db2.gz VFEMRXFYTZDKPZ-UHFFFAOYSA-N 2 2 228.723 1.663 20 10 BDCDLP COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841035151 587937274 /nfs/dbraw/zinc/93/72/74/587937274.db2.gz IGIFXMBYPZWZQH-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cccc(Cl)c1O ZINC000841037711 587937769 /nfs/dbraw/zinc/93/77/69/587937769.db2.gz TVWQEHQAWAQBPN-UHFFFAOYSA-N 2 2 228.723 1.745 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000841043051 587939044 /nfs/dbraw/zinc/93/90/44/587939044.db2.gz NLLIFEQHXKWEMN-GFCCVEGCSA-N 2 2 220.316 1.542 20 10 BDCDLP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000841045490 587939074 /nfs/dbraw/zinc/93/90/74/587939074.db2.gz WJEULSHDCWYREH-XGACYXMMSA-N 2 2 245.370 1.717 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058454 587940470 /nfs/dbraw/zinc/94/04/70/587940470.db2.gz HEMWVDSLODJIKO-SKDRFNHKSA-N 2 2 238.306 1.619 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+]Cc1c(O)cccc1Cl ZINC000841071335 587942458 /nfs/dbraw/zinc/94/24/58/587942458.db2.gz DECIXAQDMAQPMS-QMMMGPOBSA-N 2 2 228.723 1.873 20 10 BDCDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000841080735 587943005 /nfs/dbraw/zinc/94/30/05/587943005.db2.gz QFVUSOVYXAYLSC-YUMQZZPRSA-N 2 2 228.723 1.871 20 10 BDCDLP C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](C)[NH3+] ZINC000841080723 587943063 /nfs/dbraw/zinc/94/30/63/587943063.db2.gz QFVUSOVYXAYLSC-JGVFFNPUSA-N 2 2 228.723 1.871 20 10 BDCDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841087665 587945979 /nfs/dbraw/zinc/94/59/79/587945979.db2.gz POTLGYODQJDGJN-LLVKDONJSA-N 2 2 240.322 1.994 20 10 BDCDLP CCOc1ccc(C[N@H+](C)CC[NH3+])c(O)c1 ZINC000841099894 587946267 /nfs/dbraw/zinc/94/62/67/587946267.db2.gz QDHOFDDYZKIXGL-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)CC[NH3+])c(O)c1 ZINC000841099894 587946269 /nfs/dbraw/zinc/94/62/69/587946269.db2.gz QDHOFDDYZKIXGL-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843048558 588076806 /nfs/dbraw/zinc/07/68/06/588076806.db2.gz HIASOABELCXPLI-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843048558 588076808 /nfs/dbraw/zinc/07/68/08/588076808.db2.gz HIASOABELCXPLI-ZDUSSCGKSA-N 2 2 234.343 1.884 20 10 BDCDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000846701857 588283879 /nfs/dbraw/zinc/28/38/79/588283879.db2.gz DUANCMORAXKYFR-GXSJLCMTSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000846701857 588283880 /nfs/dbraw/zinc/28/38/80/588283880.db2.gz DUANCMORAXKYFR-GXSJLCMTSA-N 2 2 238.306 1.843 20 10 BDCDLP Nc1ccc([NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848715186 588408013 /nfs/dbraw/zinc/40/80/13/588408013.db2.gz PSWZBZUJYRCSDI-JQWIXIFHSA-N 2 2 205.305 1.951 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863483822 589293298 /nfs/dbraw/zinc/29/32/98/589293298.db2.gz DULUZDOYRXOHSY-WCQYABFASA-N 2 2 234.343 1.931 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485287 589293324 /nfs/dbraw/zinc/29/33/24/589293324.db2.gz YGKQRBACZSRZBS-SMDDNHRTSA-N 2 2 246.354 1.852 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863547801 589298399 /nfs/dbraw/zinc/29/83/99/589298399.db2.gz ZQQKIENLKOAHPA-HOTUBEGUSA-N 2 2 238.306 1.932 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863547709 589298404 /nfs/dbraw/zinc/29/84/04/589298404.db2.gz WBRJBFLVGWUPCA-JBLDHEPKSA-N 2 2 220.316 1.793 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1O ZINC000863652890 589307807 /nfs/dbraw/zinc/30/78/07/589307807.db2.gz XYPWNIQCKLHGEQ-QMMMGPOBSA-N 2 2 212.268 1.310 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047733 592501127 /nfs/dbraw/zinc/50/11/27/592501127.db2.gz FJIKTTBFKNAXJO-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047733 592501129 /nfs/dbraw/zinc/50/11/29/592501129.db2.gz FJIKTTBFKNAXJO-LDYMZIIASA-N 2 2 240.734 1.825 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cc(OC)ccc1O ZINC000300832958 592521567 /nfs/dbraw/zinc/52/15/67/592521567.db2.gz PBYXWSMQKOCCQH-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cc(OC)ccc1O ZINC000300832958 592521568 /nfs/dbraw/zinc/52/15/68/592521568.db2.gz PBYXWSMQKOCCQH-UHFFFAOYSA-N 2 2 224.304 1.181 20 10 BDCDLP CCOc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1O ZINC000310327579 635611179 /nfs/dbraw/zinc/61/11/79/635611179.db2.gz ZGYUFLQMXBNJLQ-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1O ZINC000310327579 635611186 /nfs/dbraw/zinc/61/11/86/635611186.db2.gz ZGYUFLQMXBNJLQ-SNVBAGLBSA-N 2 2 238.331 1.570 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000162155307 633024000 /nfs/dbraw/zinc/02/40/00/633024000.db2.gz BARNLDVEHHJHDL-SNVBAGLBSA-N 2 2 220.316 1.319 20 10 BDCDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000904462701 637407110 /nfs/dbraw/zinc/40/71/10/637407110.db2.gz RBJGJSIRSIRTHR-GFCCVEGCSA-N 2 2 238.306 1.619 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000150064278 639299057 /nfs/dbraw/zinc/29/90/57/639299057.db2.gz BLGCXZKVTNYQKF-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000150064278 639299061 /nfs/dbraw/zinc/29/90/61/639299061.db2.gz BLGCXZKVTNYQKF-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000070955782 643087475 /nfs/dbraw/zinc/08/74/75/643087475.db2.gz BYUBOSAJIOSZQM-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000070955782 643087482 /nfs/dbraw/zinc/08/74/82/643087482.db2.gz BYUBOSAJIOSZQM-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000818431507 644996703 /nfs/dbraw/zinc/99/67/03/644996703.db2.gz OUINTLFLLVMSDX-VXGBXAGGSA-N 2 2 238.306 1.891 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205183202 967416892 /nfs/dbraw/zinc/41/68/92/967416892.db2.gz XJEARJMTHWAZJL-MWLCHTKSSA-N 2 2 236.315 1.328 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205183202 967416898 /nfs/dbraw/zinc/41/68/98/967416898.db2.gz XJEARJMTHWAZJL-MWLCHTKSSA-N 2 2 236.315 1.328 20 10 BDCDLP Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001334753527 976618784 /nfs/dbraw/zinc/61/87/84/976618784.db2.gz GOSBFRVFVHOMNM-CYBMUJFWSA-N 2 2 231.343 1.643 20 10 BDCDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001334754613 976624283 /nfs/dbraw/zinc/62/42/83/976624283.db2.gz PQTHAUUKGWMFEQ-LBPRGKRZSA-N 2 2 219.332 1.356 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235075084 978969304 /nfs/dbraw/zinc/96/93/04/978969304.db2.gz JLXMZKSQFKINCJ-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235075084 978969309 /nfs/dbraw/zinc/96/93/09/978969309.db2.gz JLXMZKSQFKINCJ-CHWSQXEVSA-N 2 2 232.327 1.637 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976293 979240186 /nfs/dbraw/zinc/24/01/86/979240186.db2.gz AQUPKDDHTXAGII-HIFRSBDPSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976293 979240190 /nfs/dbraw/zinc/24/01/90/979240190.db2.gz AQUPKDDHTXAGII-HIFRSBDPSA-N 2 2 245.370 1.676 20 10 BDCDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N)cc2)C1 ZINC001236048107 979340862 /nfs/dbraw/zinc/34/08/62/979340862.db2.gz BQJXVEFYTUHEAU-ZWNOBZJWSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236048107 979340873 /nfs/dbraw/zinc/34/08/73/979340873.db2.gz BQJXVEFYTUHEAU-ZWNOBZJWSA-N 2 2 219.332 1.438 20 10 BDCDLP Cn1ccc2c1cc[nH+]c2C1=CCC[NH2+]C1 ZINC001240649999 981554768 /nfs/dbraw/zinc/55/47/68/981554768.db2.gz BGMUQZBSBVAXRO-UHFFFAOYSA-N 2 2 213.284 1.950 20 10 BDCDLP C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1[NH3+] ZINC001205871968 983013903 /nfs/dbraw/zinc/01/39/03/983013903.db2.gz AMDCXKVXUUGKJB-SKDRFNHKSA-N 2 2 236.315 1.267 20 10 BDCDLP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1[NH3+] ZINC001205871968 983013914 /nfs/dbraw/zinc/01/39/14/983013914.db2.gz AMDCXKVXUUGKJB-SKDRFNHKSA-N 2 2 236.315 1.267 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001578638746 985246538 /nfs/dbraw/zinc/24/65/38/985246538.db2.gz TWKMMJODPVMYKD-MRVPVSSYSA-N 2 2 228.723 1.743 20 10 BDCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1O ZINC000037157232 343337469 /nfs/dbraw/zinc/33/74/69/343337469.db2.gz HBINXFCYFXHCDT-NSHDSACASA-N 2 2 231.299 1.767 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000854232472 588781511 /nfs/dbraw/zinc/78/15/11/588781511.db2.gz QUBXYVCTTFBWAG-ONGXEEELSA-N 2 2 220.316 1.577 20 10 BDCDLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c(O)c1 ZINC000896554509 583811974 /nfs/dbraw/zinc/81/19/74/583811974.db2.gz ULQUBPYUMWHJHT-AAEUAGOBSA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c(O)c1 ZINC000896554510 583812219 /nfs/dbraw/zinc/81/22/19/583812219.db2.gz ULQUBPYUMWHJHT-DGCLKSJQSA-N 2 2 234.343 1.883 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841041643 584118363 /nfs/dbraw/zinc/11/83/63/584118363.db2.gz CLGKMOWLSHMUMG-LLVKDONJSA-N 2 2 240.734 1.887 20 10 BDCDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000841076979 584764540 /nfs/dbraw/zinc/76/45/40/584764540.db2.gz VSPHSJXLLRAZLE-HTQZYQBOSA-N 2 2 228.723 1.871 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000843053039 585332223 /nfs/dbraw/zinc/33/22/23/585332223.db2.gz YMBHBPNBJCBQCO-NSHDSACASA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000843053039 585332224 /nfs/dbraw/zinc/33/22/24/585332224.db2.gz YMBHBPNBJCBQCO-NSHDSACASA-N 2 2 222.332 1.788 20 10 BDCDLP C[C@@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1O ZINC000817938956 586843916 /nfs/dbraw/zinc/84/39/16/586843916.db2.gz WHEPHJIQUBHGCT-SSDOTTSWSA-N 2 2 230.258 1.670 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000817941955 586845265 /nfs/dbraw/zinc/84/52/65/586845265.db2.gz USIHIAPPXGQHCV-RYUDHWBXSA-N 2 2 232.327 1.721 20 10 BDCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944969 586846257 /nfs/dbraw/zinc/84/62/57/586846257.db2.gz QLHSIDGVMVKUSC-CBAPKCEASA-N 2 2 242.269 1.683 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945070 586846531 /nfs/dbraw/zinc/84/65/31/586846531.db2.gz SPMLADFWIXWHQA-PSASIEDQSA-N 2 2 224.279 1.544 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817951610 586847819 /nfs/dbraw/zinc/84/78/19/586847819.db2.gz HIDRLLHWRJWMBD-LLVKDONJSA-N 2 2 222.332 1.961 20 10 BDCDLP C[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952587 586847836 /nfs/dbraw/zinc/84/78/36/586847836.db2.gz RULDXIWTMGXGDA-SCZZXKLOSA-N 2 2 238.306 1.889 20 10 BDCDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817965933 586855699 /nfs/dbraw/zinc/85/56/99/586855699.db2.gz XCTLLZKVBKZMII-UFBFGSQYSA-N 2 2 238.306 1.919 20 10 BDCDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841029033 587936466 /nfs/dbraw/zinc/93/64/66/587936466.db2.gz DKLSRZAZGSAWLT-LLVKDONJSA-N 2 2 226.295 1.604 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(OC)ccc1O ZINC000841034780 587937038 /nfs/dbraw/zinc/93/70/38/587937038.db2.gz DJVSVBCUPZSEQR-UHFFFAOYSA-N 2 2 224.304 1.100 20 10 BDCDLP C[NH2+]CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841034606 587937333 /nfs/dbraw/zinc/93/73/33/587937333.db2.gz APZPGRQTPNNAGL-SNAWJCMRSA-N 2 2 233.359 1.575 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841036741 587937488 /nfs/dbraw/zinc/93/74/88/587937488.db2.gz SXCAEYUFGTWOOI-UHFFFAOYSA-N 2 2 247.386 1.986 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1ccccc1O ZINC000841046737 587939258 /nfs/dbraw/zinc/93/92/58/587939258.db2.gz MDRTWODYPBQNJQ-UHFFFAOYSA-N 2 2 208.305 1.481 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841058003 587940527 /nfs/dbraw/zinc/94/05/27/587940527.db2.gz DPJGAQOAFIYNQC-FZMZJTMJSA-N 2 2 246.354 1.709 20 10 BDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841086078 587945797 /nfs/dbraw/zinc/94/57/97/587945797.db2.gz LTIUWEVYQAPQQJ-LBPRGKRZSA-N 2 2 238.306 1.761 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000843047331 588076388 /nfs/dbraw/zinc/07/63/88/588076388.db2.gz LVDJSYJFNHSKBG-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000843047331 588076390 /nfs/dbraw/zinc/07/63/90/588076390.db2.gz LVDJSYJFNHSKBG-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000843047418 588076476 /nfs/dbraw/zinc/07/64/76/588076476.db2.gz UQGAISSCKZLGHR-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000843047418 588076479 /nfs/dbraw/zinc/07/64/79/588076479.db2.gz UQGAISSCKZLGHR-ZDUSSCGKSA-N 2 2 233.359 1.594 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000843049220 588076558 /nfs/dbraw/zinc/07/65/58/588076558.db2.gz HJLGYMATNJHXTE-HNNXBMFYSA-N 2 2 247.386 1.855 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000843049220 588076560 /nfs/dbraw/zinc/07/65/60/588076560.db2.gz HJLGYMATNJHXTE-HNNXBMFYSA-N 2 2 247.386 1.855 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000863481842 589292573 /nfs/dbraw/zinc/29/25/73/589292573.db2.gz MDRKNSHJVZORBD-QWHCGFSZSA-N 2 2 234.343 1.931 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1O ZINC000124729579 590079792 /nfs/dbraw/zinc/07/97/92/590079792.db2.gz LDXJVRHRIIJWEL-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1O ZINC000124729579 590079793 /nfs/dbraw/zinc/07/97/93/590079793.db2.gz LDXJVRHRIIJWEL-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000877527383 590349023 /nfs/dbraw/zinc/34/90/23/590349023.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP Cc1cccc(O)c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000877527383 590349024 /nfs/dbraw/zinc/34/90/24/590349024.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 2 2 246.354 1.981 20 10 BDCDLP Cc1[nH+]cc(C[N@@H+]2Cc3cccc(O)c3C2)n1C ZINC000877703007 590395381 /nfs/dbraw/zinc/39/53/81/590395381.db2.gz OEOAHICYTBDGCN-UHFFFAOYSA-N 2 2 243.310 1.950 20 10 BDCDLP Cc1[nH+]cc(C[N@H+]2Cc3cccc(O)c3C2)n1C ZINC000877703007 590395384 /nfs/dbraw/zinc/39/53/84/590395384.db2.gz OEOAHICYTBDGCN-UHFFFAOYSA-N 2 2 243.310 1.950 20 10 BDCDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000131927056 591678697 /nfs/dbraw/zinc/67/86/97/591678697.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 2 2 231.299 1.721 20 10 BDCDLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000131927056 591678699 /nfs/dbraw/zinc/67/86/99/591678699.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 2 2 231.299 1.721 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1cc(F)ccc1O ZINC000300875565 592523690 /nfs/dbraw/zinc/52/36/90/592523690.db2.gz YDMTVGRCMRYQPH-UHFFFAOYSA-N 2 2 212.268 1.312 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1cc(F)ccc1O ZINC000300875565 592523691 /nfs/dbraw/zinc/52/36/91/592523691.db2.gz YDMTVGRCMRYQPH-UHFFFAOYSA-N 2 2 212.268 1.312 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000168810551 633149219 /nfs/dbraw/zinc/14/92/19/633149219.db2.gz CBYJBSXHZQWQGN-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000168810551 633149227 /nfs/dbraw/zinc/14/92/27/633149227.db2.gz CBYJBSXHZQWQGN-GFCCVEGCSA-N 2 2 220.316 1.624 20 10 BDCDLP c1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000258919088 635226163 /nfs/dbraw/zinc/22/61/63/635226163.db2.gz OGDWVXKKFOTRQL-CQSZACIVSA-N 2 2 246.354 1.853 20 10 BDCDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000904462702 637407567 /nfs/dbraw/zinc/40/75/67/637407567.db2.gz RBJGJSIRSIRTHR-LBPRGKRZSA-N 2 2 238.306 1.619 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000071409483 643142135 /nfs/dbraw/zinc/14/21/35/643142135.db2.gz LTHUUAPYABAPAB-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409483 643142144 /nfs/dbraw/zinc/14/21/44/643142144.db2.gz LTHUUAPYABAPAB-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001235971413 979234557 /nfs/dbraw/zinc/23/45/57/979234557.db2.gz WAEKRQQWRDPSRE-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP CC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001235971413 979234568 /nfs/dbraw/zinc/23/45/68/979234568.db2.gz WAEKRQQWRDPSRE-CYBMUJFWSA-N 2 2 219.332 1.453 20 10 BDCDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172340 979428577 /nfs/dbraw/zinc/42/85/77/979428577.db2.gz YTKIVFWZGQHLCS-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172340 979428586 /nfs/dbraw/zinc/42/85/86/979428586.db2.gz YTKIVFWZGQHLCS-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP Nc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236240974 979464884 /nfs/dbraw/zinc/46/48/84/979464884.db2.gz NZXNNJSBBKVVFG-HNNXBMFYSA-N 2 2 245.370 1.985 20 10 BDCDLP Nc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236240974 979464889 /nfs/dbraw/zinc/46/48/89/979464889.db2.gz NZXNNJSBBKVVFG-HNNXBMFYSA-N 2 2 245.370 1.985 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001236868635 979771285 /nfs/dbraw/zinc/77/12/85/979771285.db2.gz OOQOFQHBVUFVST-NSHDSACASA-N 2 2 238.331 1.575 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001236868635 979771290 /nfs/dbraw/zinc/77/12/90/979771290.db2.gz OOQOFQHBVUFVST-NSHDSACASA-N 2 2 238.331 1.575 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001352791494 982574926 /nfs/dbraw/zinc/57/49/26/982574926.db2.gz WIZATPSMJFHLAH-JOYOIKCWSA-N 2 2 205.305 1.109 20 10 BDCDLP Cc1ccc(O)c(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001275311799 984532843 /nfs/dbraw/zinc/53/28/43/984532843.db2.gz OIJYAJHDAGPCQI-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP Cc1ccc(O)c(C[NH+]2CC3(C2)CC[N@H+](C)C3)c1 ZINC001275311799 984532855 /nfs/dbraw/zinc/53/28/55/984532855.db2.gz OIJYAJHDAGPCQI-UHFFFAOYSA-N 2 2 246.354 1.838 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C[NH2+]1 ZINC001246239593 987639488 /nfs/dbraw/zinc/63/94/88/987639488.db2.gz KEMZZSIDPVQTKE-ONGXEEELSA-N 2 2 236.315 1.328 20 10 BDCDLP CCC[N@H+](Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314716 169178628 /nfs/dbraw/zinc/17/86/28/169178628.db2.gz CNQSVLXFNOKJTI-CYBMUJFWSA-N 2 2 234.343 1.966 20 10 BDCDLP CCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314716 169178630 /nfs/dbraw/zinc/17/86/30/169178630.db2.gz CNQSVLXFNOKJTI-CYBMUJFWSA-N 2 2 234.343 1.966 20 10 BDCDLP C[N@H+](Cc1c[nH+]c[nH]1)Cc1ccccc1O ZINC000091956770 384157528 /nfs/dbraw/zinc/15/75/28/384157528.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 2 2 217.272 1.747 20 10 BDCDLP C[N@@H+](Cc1c[nH+]c[nH]1)Cc1ccccc1O ZINC000091956770 384157530 /nfs/dbraw/zinc/15/75/30/384157530.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 2 2 217.272 1.747 20 10 BDCDLP [NH3+]c1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853246859 588728482 /nfs/dbraw/zinc/72/84/82/588728482.db2.gz VIAKOCKKIUMRLO-SKDRFNHKSA-N 2 2 203.289 1.290 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000853248281 588729128 /nfs/dbraw/zinc/72/91/28/588729128.db2.gz CVACAEBEKNKVHV-QMMMGPOBSA-N 2 2 228.723 1.743 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484855 583992230 /nfs/dbraw/zinc/99/22/30/583992230.db2.gz NYUXJVCBLDKPRW-WCQYABFASA-N 2 2 234.343 1.931 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863486667 583992489 /nfs/dbraw/zinc/99/24/89/583992489.db2.gz BXAUERAQHASYOY-CMPLNLGQSA-N 2 2 220.316 1.541 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817972237 584993790 /nfs/dbraw/zinc/99/37/90/584993790.db2.gz KLTCAIXGKILTEB-SFYZADRCSA-N 2 2 212.268 1.529 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])cc1C ZINC000843053038 585332488 /nfs/dbraw/zinc/33/24/88/585332488.db2.gz YMBHBPNBJCBQCO-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)[C@H](C)C[NH3+])cc1C ZINC000843053038 585332489 /nfs/dbraw/zinc/33/24/89/585332489.db2.gz YMBHBPNBJCBQCO-LLVKDONJSA-N 2 2 222.332 1.788 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000817941954 586845190 /nfs/dbraw/zinc/84/51/90/586845190.db2.gz USIHIAPPXGQHCV-NWDGAFQWSA-N 2 2 232.327 1.721 20 10 BDCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944562 586845932 /nfs/dbraw/zinc/84/59/32/586845932.db2.gz GZWQSMVUSHXFHV-NXEZZACHSA-N 2 2 206.289 1.405 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944970 586846100 /nfs/dbraw/zinc/84/61/00/586846100.db2.gz QLHSIDGVMVKUSC-IONNQARKSA-N 2 2 242.269 1.683 20 10 BDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000817944713 586846166 /nfs/dbraw/zinc/84/61/66/586846166.db2.gz KCWUSYLFTCGDRP-VHSXEESVSA-N 2 2 236.315 1.413 20 10 BDCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000817944780 586846353 /nfs/dbraw/zinc/84/63/53/586846353.db2.gz LRCLZLLCIOMEPU-QWRGUYRKSA-N 2 2 220.316 1.713 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817951895 586847777 /nfs/dbraw/zinc/84/77/77/586847777.db2.gz KXWSLDUBVBZABI-JTQLQIEISA-N 2 2 238.331 1.661 20 10 BDCDLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817951979 586848050 /nfs/dbraw/zinc/84/80/50/586848050.db2.gz MJQRQAZMDYCTIT-VIFPVBQESA-N 2 2 226.295 1.791 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)cc(F)c1O ZINC000817961663 586852635 /nfs/dbraw/zinc/85/26/35/586852635.db2.gz BXTVQJUKHQXSBW-JGVFFNPUSA-N 2 2 244.285 1.916 20 10 BDCDLP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817961662 586852933 /nfs/dbraw/zinc/85/29/33/586852933.db2.gz BXTVQJUKHQXSBW-HTQZYQBOSA-N 2 2 244.285 1.916 20 10 BDCDLP CC(C)([NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841031591 587936552 /nfs/dbraw/zinc/93/65/52/587936552.db2.gz XJJVZIPATCXRJV-UHFFFAOYSA-N 2 2 212.268 1.358 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841036204 587938194 /nfs/dbraw/zinc/93/81/94/587938194.db2.gz PQDPKLDKRSQXNI-JTQLQIEISA-N 2 2 240.734 1.887 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841045466 587939369 /nfs/dbraw/zinc/93/93/69/587939369.db2.gz WDGVSQDHAIAOHO-JTQLQIEISA-N 2 2 226.707 1.497 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1F ZINC000841044397 587939431 /nfs/dbraw/zinc/93/94/31/587939431.db2.gz FAEWSUWSUUWZOM-NSHDSACASA-N 2 2 237.322 1.343 20 10 BDCDLP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841050201 587940001 /nfs/dbraw/zinc/94/00/01/587940001.db2.gz ZRIDKBJJUJGVJY-SSDOTTSWSA-N 2 2 246.713 1.869 20 10 BDCDLP CCOc1ccc(C[NH2+][C@H](C)C[NH3+])c(O)c1 ZINC000841060336 587941411 /nfs/dbraw/zinc/94/14/11/587941411.db2.gz VQNDBWZDISUWSS-SECBINFHSA-N 2 2 224.304 1.228 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1c(O)cccc1Cl ZINC000841071334 587942815 /nfs/dbraw/zinc/94/28/15/587942815.db2.gz DECIXAQDMAQPMS-MRVPVSSYSA-N 2 2 228.723 1.873 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1O ZINC000841070209 587943098 /nfs/dbraw/zinc/94/30/98/587943098.db2.gz MQNDACOYDJVLMZ-SNVBAGLBSA-N 2 2 228.723 1.873 20 10 BDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841085448 587945874 /nfs/dbraw/zinc/94/58/74/587945874.db2.gz CPAXBLWNDOXTIG-NSHDSACASA-N 2 2 238.306 1.761 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000843045522 588075978 /nfs/dbraw/zinc/07/59/78/588075978.db2.gz UKACUYQNMRELBJ-RDFMZFSFSA-N 2 2 245.370 1.799 20 10 BDCDLP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000843045522 588075980 /nfs/dbraw/zinc/07/59/80/588075980.db2.gz UKACUYQNMRELBJ-RDFMZFSFSA-N 2 2 245.370 1.799 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843045144 588076132 /nfs/dbraw/zinc/07/61/32/588076132.db2.gz MSENBJXTXUVQIT-CQSZACIVSA-N 2 2 247.386 1.855 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843045144 588076134 /nfs/dbraw/zinc/07/61/34/588076134.db2.gz MSENBJXTXUVQIT-CQSZACIVSA-N 2 2 247.386 1.855 20 10 BDCDLP C[C@@]1(CNc2ccc([NH3+])cc2)CC[NH2+]C1 ZINC000843126675 588084327 /nfs/dbraw/zinc/08/43/27/588084327.db2.gz SPRIZXAWXSZRMZ-GFCCVEGCSA-N 2 2 205.305 1.680 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485286 589293346 /nfs/dbraw/zinc/29/33/46/589293346.db2.gz YGKQRBACZSRZBS-RISCZKNCSA-N 2 2 246.354 1.852 20 10 BDCDLP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300048740 592501745 /nfs/dbraw/zinc/50/17/45/592501745.db2.gz MCQVBJZAHDRSDX-MWLCHTKSSA-N 2 2 236.315 1.180 20 10 BDCDLP COc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300048740 592501746 /nfs/dbraw/zinc/50/17/46/592501746.db2.gz MCQVBJZAHDRSDX-MWLCHTKSSA-N 2 2 236.315 1.180 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000234265175 635551695 /nfs/dbraw/zinc/55/16/95/635551695.db2.gz XNOSVTBWTYTYCK-CQSZACIVSA-N 2 2 247.386 1.984 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000863481148 636715003 /nfs/dbraw/zinc/71/50/03/636715003.db2.gz AAEPOIYNVJATOV-NWDGAFQWSA-N 2 2 238.306 1.761 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043035 636924896 /nfs/dbraw/zinc/92/48/96/636924896.db2.gz MYZSBJBJYLOMCD-LLVKDONJSA-N 2 2 224.279 1.373 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841064778 636974400 /nfs/dbraw/zinc/97/44/00/636974400.db2.gz JLAWDFRSBBKWGC-SMDDNHRTSA-N 2 2 246.354 1.852 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000904449404 637414686 /nfs/dbraw/zinc/41/46/86/637414686.db2.gz HRCHLXWYOIXHHJ-UHFFFAOYSA-N 2 2 226.707 1.627 20 10 BDCDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817980956 644994248 /nfs/dbraw/zinc/99/42/48/644994248.db2.gz YOMMZIUDLFVWSL-PSASIEDQSA-N 2 2 226.295 1.919 20 10 BDCDLP CCOc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1O ZINC000382998406 710976220 /nfs/dbraw/zinc/97/62/20/710976220.db2.gz NPMVRSBOEMBQLP-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1O ZINC000382998406 710976223 /nfs/dbraw/zinc/97/62/23/710976223.db2.gz NPMVRSBOEMBQLP-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP C[N@H+](Cc1cc(F)ccc1O)C1(C[NH3+])CCC1 ZINC000385110906 711006251 /nfs/dbraw/zinc/00/62/51/711006251.db2.gz CTSAHXQZDNGHER-UHFFFAOYSA-N 2 2 238.306 1.845 20 10 BDCDLP C[N@@H+](Cc1cc(F)ccc1O)C1(C[NH3+])CCC1 ZINC000385110906 711006253 /nfs/dbraw/zinc/00/62/53/711006253.db2.gz CTSAHXQZDNGHER-UHFFFAOYSA-N 2 2 238.306 1.845 20 10 BDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C[NH2+]1 ZINC000398953716 711417462 /nfs/dbraw/zinc/41/74/62/711417462.db2.gz GAIJVANITSRWKI-CMPLNLGQSA-N 2 2 220.316 1.622 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000379793507 712399355 /nfs/dbraw/zinc/39/93/55/712399355.db2.gz JUOFWLXZINKTNQ-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000379793507 712399357 /nfs/dbraw/zinc/39/93/57/712399357.db2.gz JUOFWLXZINKTNQ-MRVPVSSYSA-N 2 2 228.723 1.825 20 10 BDCDLP Nc1ccc(Nc2ccc(C[NH3+])nc2)[nH+]c1 ZINC001160396390 972354457 /nfs/dbraw/zinc/35/44/57/972354457.db2.gz HVXLUHNINJQBMN-UHFFFAOYSA-N 2 2 215.260 1.261 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976295 979245480 /nfs/dbraw/zinc/24/54/80/979245480.db2.gz AQUPKDDHTXAGII-UKRRQHHQSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976295 979245493 /nfs/dbraw/zinc/24/54/93/979245493.db2.gz AQUPKDDHTXAGII-UKRRQHHQSA-N 2 2 245.370 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020215727 342977793 /nfs/dbraw/zinc/97/77/93/342977793.db2.gz PWDDGNYRIOGBQC-CYBMUJFWSA-N 2 2 233.359 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020215727 342977796 /nfs/dbraw/zinc/97/77/96/342977796.db2.gz PWDDGNYRIOGBQC-CYBMUJFWSA-N 2 2 233.359 1.676 20 10 BDCDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587854 173057561 /nfs/dbraw/zinc/05/75/61/173057561.db2.gz QRXSGDDHOYMHBM-LBPRGKRZSA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587854 173057564 /nfs/dbraw/zinc/05/75/64/173057564.db2.gz QRXSGDDHOYMHBM-LBPRGKRZSA-N 2 2 238.306 1.715 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cc(Cl)ccc1O ZINC000841035652 587937564 /nfs/dbraw/zinc/93/75/64/587937564.db2.gz LNICOAVXBCCQQU-UHFFFAOYSA-N 2 2 214.696 1.355 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000853248812 588728824 /nfs/dbraw/zinc/72/88/24/588728824.db2.gz KJLGMMHKAVTBTG-QMMMGPOBSA-N 2 2 212.268 1.229 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000854231700 588781184 /nfs/dbraw/zinc/78/11/84/588781184.db2.gz JYUAWASRADADPQ-IUCAKERBSA-N 2 2 226.295 1.790 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000854233094 588781538 /nfs/dbraw/zinc/78/15/38/588781538.db2.gz XMEXQAOZVZJPAM-GHMZBOCLSA-N 2 2 222.332 1.959 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c(O)c1 ZINC000896554511 583811524 /nfs/dbraw/zinc/81/15/24/583811524.db2.gz ULQUBPYUMWHJHT-WCQYABFASA-N 2 2 234.343 1.883 20 10 BDCDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841038020 584083330 /nfs/dbraw/zinc/08/33/30/584083330.db2.gz FVOINLQXOPXSSC-GFCCVEGCSA-N 2 2 240.322 1.994 20 10 BDCDLP CN(C[C@H]1CCC[NH2+]1)c1ccc([NH3+])cc1 ZINC000903474008 584776528 /nfs/dbraw/zinc/77/65/28/584776528.db2.gz DXHMARNQABJNOG-LLVKDONJSA-N 2 2 205.305 1.457 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960646 584828449 /nfs/dbraw/zinc/82/84/49/584828449.db2.gz SKEMFFFRPNUXIC-ZYHUDNBSSA-N 2 2 220.316 1.398 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817951066 584991923 /nfs/dbraw/zinc/99/19/23/584991923.db2.gz AWLZTZIGBHAJHS-LLVKDONJSA-N 2 2 222.332 1.879 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817965897 584993382 /nfs/dbraw/zinc/99/33/82/584993382.db2.gz FADKZQPUNAYFNI-HTQZYQBOSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817971848 584993807 /nfs/dbraw/zinc/99/38/07/584993807.db2.gz HTTHQUSQVAMYDZ-RQJHMYQMSA-N 2 2 230.258 1.668 20 10 BDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[NH3+])c1O ZINC000817937612 586844613 /nfs/dbraw/zinc/84/46/13/586844613.db2.gz YKDMECOPRATMEY-MRVPVSSYSA-N 2 2 228.723 1.963 20 10 BDCDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c(O)c1 ZINC000817944586 586846235 /nfs/dbraw/zinc/84/62/35/586846235.db2.gz HGRSXBNSDIXAFX-QWRGUYRKSA-N 2 2 220.316 1.713 20 10 BDCDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817966282 586855439 /nfs/dbraw/zinc/85/54/39/586855439.db2.gz KHDXHVNKKFDADO-HTQZYQBOSA-N 2 2 212.268 1.529 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000841033041 587936884 /nfs/dbraw/zinc/93/68/84/587936884.db2.gz NDPFSQFFWMIRSC-CYBMUJFWSA-N 2 2 234.343 1.932 20 10 BDCDLP COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841036604 587938030 /nfs/dbraw/zinc/93/80/30/587938030.db2.gz SLRVWECWYWRRON-JTQLQIEISA-N 2 2 236.315 1.242 20 10 BDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CC2CC2)cc1 ZINC000841042076 587938780 /nfs/dbraw/zinc/93/87/80/587938780.db2.gz HKJLFBXWGXPBIJ-AWEZNQCLSA-N 2 2 233.359 1.752 20 10 BDCDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043843 587938983 /nfs/dbraw/zinc/93/89/83/587938983.db2.gz XIJVCPFKTOKFHU-SNVBAGLBSA-N 2 2 240.734 1.887 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043868 587939243 /nfs/dbraw/zinc/93/92/43/587939243.db2.gz YBUMHHTUYNGKDL-VIFPVBQESA-N 2 2 240.734 1.887 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000841045407 587939437 /nfs/dbraw/zinc/93/94/37/587939437.db2.gz UHSXANOXIOPWEJ-LBPRGKRZSA-N 2 2 220.316 1.461 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1F ZINC000841044396 587939447 /nfs/dbraw/zinc/93/94/47/587939447.db2.gz FAEWSUWSUUWZOM-LLVKDONJSA-N 2 2 237.322 1.343 20 10 BDCDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841087667 587946066 /nfs/dbraw/zinc/94/60/66/587946066.db2.gz POTLGYODQJDGJN-NSHDSACASA-N 2 2 240.322 1.994 20 10 BDCDLP C[N@H+](Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000843046454 588075745 /nfs/dbraw/zinc/07/57/45/588075745.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@@H+](Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000843046454 588075747 /nfs/dbraw/zinc/07/57/47/588075747.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 2 2 238.306 1.715 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000843051758 588076772 /nfs/dbraw/zinc/07/67/72/588076772.db2.gz LKCFMTOOAMJHNS-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000843051758 588076774 /nfs/dbraw/zinc/07/67/74/588076774.db2.gz LKCFMTOOAMJHNS-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843051422 588077262 /nfs/dbraw/zinc/07/72/62/588077262.db2.gz HFVBPQZNKFFJFL-CABZTGNLSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843051422 588077264 /nfs/dbraw/zinc/07/72/64/588077264.db2.gz HFVBPQZNKFFJFL-CABZTGNLSA-N 2 2 238.306 1.700 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000843120517 588083534 /nfs/dbraw/zinc/08/35/34/588083534.db2.gz OFSOFJLSDYRVOV-LDYMZIIASA-N 2 2 224.279 1.310 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000843120517 588083535 /nfs/dbraw/zinc/08/35/35/588083535.db2.gz OFSOFJLSDYRVOV-LDYMZIIASA-N 2 2 224.279 1.310 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C[NH2+]1 ZINC000863484629 589293235 /nfs/dbraw/zinc/29/32/35/589293235.db2.gz KDHJOHLQDZFPQV-CABZTGNLSA-N 2 2 238.306 1.761 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000863487433 589293851 /nfs/dbraw/zinc/29/38/51/589293851.db2.gz PQBHEGCEOGOEMF-SMDDNHRTSA-N 2 2 233.359 1.593 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653556 589306342 /nfs/dbraw/zinc/30/63/42/589306342.db2.gz NDDMIJJOBOUQCC-SNVBAGLBSA-N 2 2 239.338 1.671 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653556 589306344 /nfs/dbraw/zinc/30/63/44/589306344.db2.gz NDDMIJJOBOUQCC-SNVBAGLBSA-N 2 2 239.338 1.671 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000076610951 631298062 /nfs/dbraw/zinc/29/80/62/631298062.db2.gz HAEZIULAKGTYBM-UHFFFAOYSA-N 2 2 221.348 1.533 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000076610951 631298067 /nfs/dbraw/zinc/29/80/67/631298067.db2.gz HAEZIULAKGTYBM-UHFFFAOYSA-N 2 2 221.348 1.533 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162187602 632540833 /nfs/dbraw/zinc/54/08/33/632540833.db2.gz HSMYDNAVSBTCDV-NSHDSACASA-N 2 2 221.348 1.450 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341826 632722762 /nfs/dbraw/zinc/72/27/62/632722762.db2.gz CZJSLUYFAJLHPA-FZMZJTMJSA-N 2 2 233.359 1.674 20 10 BDCDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341826 632722766 /nfs/dbraw/zinc/72/27/66/632722766.db2.gz CZJSLUYFAJLHPA-FZMZJTMJSA-N 2 2 233.359 1.674 20 10 BDCDLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1O ZINC000904462716 637407232 /nfs/dbraw/zinc/40/72/32/637407232.db2.gz RICWHUOAYYQTKH-LBPRGKRZSA-N 2 2 234.343 1.788 20 10 BDCDLP C[NH+](C)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000701495902 712024977 /nfs/dbraw/zinc/02/49/77/712024977.db2.gz YDQGNWSBNOKBGY-UHFFFAOYSA-N 2 2 246.354 1.804 20 10 BDCDLP C[NH+](C)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708480111 712181171 /nfs/dbraw/zinc/18/11/71/712181171.db2.gz DNLKJIDMVMYLRX-UHFFFAOYSA-N 2 2 244.285 1.712 20 10 BDCDLP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206043463 968007539 /nfs/dbraw/zinc/00/75/39/968007539.db2.gz FYLYTBNUMTVEAU-ZWNOBZJWSA-N 2 2 219.332 1.438 20 10 BDCDLP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000258898102 962096572 /nfs/dbraw/zinc/09/65/72/962096572.db2.gz LZGSRLKYKVWCOC-CYBMUJFWSA-N 2 2 234.343 1.845 20 10 BDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001204801190 963656645 /nfs/dbraw/zinc/65/66/45/963656645.db2.gz LCKUDWBRSVMLPD-GFCCVEGCSA-N 2 2 205.305 1.192 20 10 BDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001204801190 963656649 /nfs/dbraw/zinc/65/66/49/963656649.db2.gz LCKUDWBRSVMLPD-GFCCVEGCSA-N 2 2 205.305 1.192 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990605 966211515 /nfs/dbraw/zinc/21/15/15/966211515.db2.gz KLILDQKWWJCPJT-SMDDNHRTSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990605 966211529 /nfs/dbraw/zinc/21/15/29/966211529.db2.gz KLILDQKWWJCPJT-SMDDNHRTSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236024895 966240352 /nfs/dbraw/zinc/24/03/52/966240352.db2.gz JSTRENNLUWTDNY-FZMZJTMJSA-N 2 2 232.327 1.542 20 10 BDCDLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236024895 966240375 /nfs/dbraw/zinc/24/03/75/966240375.db2.gz JSTRENNLUWTDNY-FZMZJTMJSA-N 2 2 232.327 1.542 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(F)c1O ZINC001205068166 967326046 /nfs/dbraw/zinc/32/60/46/967326046.db2.gz DSHSIUFKTVTOIP-ONGXEEELSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(F)c1O ZINC001205068166 967326053 /nfs/dbraw/zinc/32/60/53/967326053.db2.gz DSHSIUFKTVTOIP-ONGXEEELSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206043463 968007520 /nfs/dbraw/zinc/00/75/20/968007520.db2.gz FYLYTBNUMTVEAU-ZWNOBZJWSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206070438 968040944 /nfs/dbraw/zinc/04/09/44/968040944.db2.gz JNMXAFYMUXFCPY-BXKDBHETSA-N 2 2 205.305 1.048 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206070438 968040955 /nfs/dbraw/zinc/04/09/55/968040955.db2.gz JNMXAFYMUXFCPY-BXKDBHETSA-N 2 2 205.305 1.048 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235044132 978961613 /nfs/dbraw/zinc/96/16/13/978961613.db2.gz JLXMZKSQFKINCJ-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235044132 978961617 /nfs/dbraw/zinc/96/16/17/978961617.db2.gz JLXMZKSQFKINCJ-QWHCGFSZSA-N 2 2 232.327 1.637 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235079014 978971806 /nfs/dbraw/zinc/97/18/06/978971806.db2.gz MUWYYEPNLMYBAN-ZIAGYGMSSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235079014 978971810 /nfs/dbraw/zinc/97/18/10/978971810.db2.gz MUWYYEPNLMYBAN-ZIAGYGMSSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236025217 979318906 /nfs/dbraw/zinc/31/89/06/979318906.db2.gz KTPOLUUOAMEZSI-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236025217 979318916 /nfs/dbraw/zinc/31/89/16/979318916.db2.gz KTPOLUUOAMEZSI-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000226582680 183274723 /nfs/dbraw/zinc/27/47/23/183274723.db2.gz CUHPVAJYWUBTIC-UHFFFAOYSA-N 2 2 235.262 1.518 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000274697089 386314582 /nfs/dbraw/zinc/31/45/82/386314582.db2.gz WXJOKTQEPLXYPK-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(O)c(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000274697089 386314586 /nfs/dbraw/zinc/31/45/86/386314586.db2.gz WXJOKTQEPLXYPK-SNVBAGLBSA-N 2 2 208.305 1.480 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221162753 387930029 /nfs/dbraw/zinc/93/00/29/387930029.db2.gz USGLSNQBJOSJRG-HNNXBMFYSA-N 2 2 247.386 1.936 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221162753 387930032 /nfs/dbraw/zinc/93/00/32/387930032.db2.gz USGLSNQBJOSJRG-HNNXBMFYSA-N 2 2 247.386 1.936 20 10 BDCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3O)[C@H]2C1 ZINC000272698312 173159508 /nfs/dbraw/zinc/15/95/08/173159508.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3O)[C@H]2C1 ZINC000272698312 173159509 /nfs/dbraw/zinc/15/95/09/173159509.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698312 173159511 /nfs/dbraw/zinc/15/95/11/173159511.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698312 173159512 /nfs/dbraw/zinc/15/95/12/173159512.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000853250013 588729407 /nfs/dbraw/zinc/72/94/07/588729407.db2.gz YBBCVULVJLRZLH-LBPRGKRZSA-N 2 2 235.375 1.759 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464258 584613342 /nfs/dbraw/zinc/61/33/42/584613342.db2.gz BDSZAGCCZUPYDC-YVECIDJPSA-N 2 2 244.338 1.862 20 10 BDCDLP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H](C)[NH3+] ZINC000841076130 584742424 /nfs/dbraw/zinc/74/24/24/584742424.db2.gz ASDWYSWNJYHMOZ-JGVFFNPUSA-N 2 2 212.268 1.357 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000903960389 584828519 /nfs/dbraw/zinc/82/85/19/584828519.db2.gz IEBGDKUGAXASEI-ZWNOBZJWSA-N 2 2 232.327 1.319 20 10 BDCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)ccc1O ZINC000817959296 584992375 /nfs/dbraw/zinc/99/23/75/584992375.db2.gz FJIHXJJFTGQVFB-QPUJVOFHSA-N 2 2 238.306 1.919 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1C ZINC000776175029 585691582 /nfs/dbraw/zinc/69/15/82/585691582.db2.gz VWYWJPRRHCUJIA-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1C ZINC000776175029 585691583 /nfs/dbraw/zinc/69/15/83/585691583.db2.gz VWYWJPRRHCUJIA-CYBMUJFWSA-N 2 2 234.343 1.803 20 10 BDCDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c(O)c1 ZINC000817944585 586846327 /nfs/dbraw/zinc/84/63/27/586846327.db2.gz HGRSXBNSDIXAFX-MNOVXSKESA-N 2 2 220.316 1.713 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817951985 586848325 /nfs/dbraw/zinc/84/83/25/586848325.db2.gz MMTDSDPECMJLBH-LLVKDONJSA-N 2 2 222.332 1.961 20 10 BDCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817961267 586852652 /nfs/dbraw/zinc/85/26/52/586852652.db2.gz VZZJHPDNXHVHIR-UFBFGSQYSA-N 2 2 238.306 1.919 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969218 586856465 /nfs/dbraw/zinc/85/64/65/586856465.db2.gz SDFDXCQHKTUGKH-RTXFEEFZSA-N 2 2 246.354 1.967 20 10 BDCDLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817977116 586860208 /nfs/dbraw/zinc/86/02/08/586860208.db2.gz BQNXHWPDZLZDLP-CIUDSAMLSA-N 2 2 226.295 1.918 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841035504 587936970 /nfs/dbraw/zinc/93/69/70/587936970.db2.gz GWNGZHDBOWKABP-UHFFFAOYSA-N 2 2 222.332 1.708 20 10 BDCDLP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841045514 587939256 /nfs/dbraw/zinc/93/92/56/587939256.db2.gz XOALYSPSIXPVJU-CQSZACIVSA-N 2 2 245.370 1.738 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cc(C)ccc1O ZINC000841047058 587939463 /nfs/dbraw/zinc/93/94/63/587939463.db2.gz TZJUAQICNZHTLI-UHFFFAOYSA-N 2 2 222.332 1.790 20 10 BDCDLP CN(C)c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000841088608 587945591 /nfs/dbraw/zinc/94/55/91/587945591.db2.gz AZVBDNYLVNLPSO-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP COc1cccc(O)c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000843052292 588077124 /nfs/dbraw/zinc/07/71/24/588077124.db2.gz SHOOHMOFDFWMAL-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000843052292 588077126 /nfs/dbraw/zinc/07/71/26/588077126.db2.gz SHOOHMOFDFWMAL-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP CCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])c(O)c1 ZINC000843051473 588077157 /nfs/dbraw/zinc/07/71/57/588077157.db2.gz JCJWSNPWPBXJRQ-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP CCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])c(O)c1 ZINC000843051473 588077158 /nfs/dbraw/zinc/07/71/58/588077158.db2.gz JCJWSNPWPBXJRQ-JTQLQIEISA-N 2 2 238.331 1.570 20 10 BDCDLP C[N@H+](Cc1cccc(F)c1O)CC(C)(C)C[NH3+] ZINC000843056441 588077750 /nfs/dbraw/zinc/07/77/50/588077750.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 2 2 240.322 1.948 20 10 BDCDLP C[N@@H+](Cc1cccc(F)c1O)CC(C)(C)C[NH3+] ZINC000843056441 588077751 /nfs/dbraw/zinc/07/77/51/588077751.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 2 2 240.322 1.948 20 10 BDCDLP C[N@H+](Cc1cccc(Cl)c1O)C1CC([NH3+])C1 ZINC000843125041 588083469 /nfs/dbraw/zinc/08/34/69/588083469.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 2 2 240.734 1.967 20 10 BDCDLP C[N@@H+](Cc1cccc(Cl)c1O)C1CC([NH3+])C1 ZINC000843125041 588083471 /nfs/dbraw/zinc/08/34/71/588083471.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 2 2 240.734 1.967 20 10 BDCDLP C[C@@]1(F)C[NH2+]CC[N@H+](Cc2ccccc2O)C1 ZINC000843124402 588083839 /nfs/dbraw/zinc/08/38/39/588083839.db2.gz AEWFUQDWQFXORV-CYBMUJFWSA-N 2 2 238.306 1.526 20 10 BDCDLP C[C@@]1(F)C[NH2+]CC[N@@H+](Cc2ccccc2O)C1 ZINC000843124402 588083841 /nfs/dbraw/zinc/08/38/41/588083841.db2.gz AEWFUQDWQFXORV-CYBMUJFWSA-N 2 2 238.306 1.526 20 10 BDCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000863487913 589293845 /nfs/dbraw/zinc/29/38/45/589293845.db2.gz YKGSFRXRVZPIBO-GZMMTYOYSA-N 2 2 240.734 1.886 20 10 BDCDLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(O)c1 ZINC000876985973 590265095 /nfs/dbraw/zinc/26/50/95/590265095.db2.gz YQBWDULKGWELKX-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(O)c1 ZINC000876985973 590265097 /nfs/dbraw/zinc/26/50/97/590265097.db2.gz YQBWDULKGWELKX-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000876985692 590265122 /nfs/dbraw/zinc/26/51/22/590265122.db2.gz MSIRUNSCHBAPHN-GFCCVEGCSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000876985692 590265124 /nfs/dbraw/zinc/26/51/24/590265124.db2.gz MSIRUNSCHBAPHN-GFCCVEGCSA-N 2 2 234.343 1.884 20 10 BDCDLP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000904449573 637414177 /nfs/dbraw/zinc/41/41/77/637414177.db2.gz KTWRFPKSRGLWHK-UHFFFAOYSA-N 2 2 210.252 1.112 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000229101097 711837742 /nfs/dbraw/zinc/83/77/42/711837742.db2.gz UQTCECHVDJXCHH-LLVKDONJSA-N 2 2 234.343 1.709 20 10 BDCDLP Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236022894 966234771 /nfs/dbraw/zinc/23/47/71/966234771.db2.gz AZBBGEVZXYDWHA-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236022894 966234788 /nfs/dbraw/zinc/23/47/88/966234788.db2.gz AZBBGEVZXYDWHA-DGCLKSJQSA-N 2 2 218.300 1.234 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405820380 971311235 /nfs/dbraw/zinc/31/12/35/971311235.db2.gz JZJGAMDOWMPIEF-CQSZACIVSA-N 2 2 233.359 1.676 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405820380 971311243 /nfs/dbraw/zinc/31/12/43/971311243.db2.gz JZJGAMDOWMPIEF-CQSZACIVSA-N 2 2 233.359 1.676 20 10 BDCDLP C/C(=C\C=C\[NH3+])c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205563925 967699396 /nfs/dbraw/zinc/69/93/96/967699396.db2.gz ICTQAUNYCPZJFL-JRJWWQKUSA-N 2 2 243.354 1.972 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328508082 973118647 /nfs/dbraw/zinc/11/86/47/973118647.db2.gz VNHGWXULYLLCMK-CYBMUJFWSA-N 2 2 247.386 1.984 20 10 BDCDLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N)cc2)C1 ZINC001236048103 979342781 /nfs/dbraw/zinc/34/27/81/979342781.db2.gz BQJXVEFYTUHEAU-MFKMUULPSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236048103 979342787 /nfs/dbraw/zinc/34/27/87/979342787.db2.gz BQJXVEFYTUHEAU-MFKMUULPSA-N 2 2 219.332 1.438 20 10 BDCDLP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000400714373 987299837 /nfs/dbraw/zinc/29/98/37/987299837.db2.gz FHLTUKRMAUATTN-WFASDCNBSA-N 2 2 247.386 1.983 20 10 BDCDLP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000383435508 993492708 /nfs/dbraw/zinc/49/27/08/993492708.db2.gz FGTLPJXATNLFGM-MWLCHTKSSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000383435508 993492710 /nfs/dbraw/zinc/49/27/10/993492710.db2.gz FGTLPJXATNLFGM-MWLCHTKSSA-N 2 2 236.315 1.322 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC000386020882 993675164 /nfs/dbraw/zinc/67/51/64/993675164.db2.gz WQVOCCLNMWBTOB-LBPRGKRZSA-N 2 2 247.386 1.848 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CCCN2C ZINC000386020882 993675171 /nfs/dbraw/zinc/67/51/71/993675171.db2.gz WQVOCCLNMWBTOB-LBPRGKRZSA-N 2 2 247.386 1.848 20 10 BDCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587847 173032456 /nfs/dbraw/zinc/03/24/56/173032456.db2.gz QRXSGDDHOYMHBM-GFCCVEGCSA-N 2 2 238.306 1.715 20 10 BDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587847 173032459 /nfs/dbraw/zinc/03/24/59/173032459.db2.gz QRXSGDDHOYMHBM-GFCCVEGCSA-N 2 2 238.306 1.715 20 10 BDCDLP COc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC000038086963 175258728 /nfs/dbraw/zinc/25/87/28/175258728.db2.gz KQBHGZHAWVTRHV-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP COc1cccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC000038086963 175258729 /nfs/dbraw/zinc/25/87/29/175258729.db2.gz KQBHGZHAWVTRHV-UHFFFAOYSA-N 2 2 236.315 1.196 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221162815 490151632 /nfs/dbraw/zinc/15/16/32/490151632.db2.gz USGLSNQBJOSJRG-OAHLLOKOSA-N 2 2 247.386 1.936 20 10 BDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221162815 490151638 /nfs/dbraw/zinc/15/16/38/490151638.db2.gz USGLSNQBJOSJRG-OAHLLOKOSA-N 2 2 247.386 1.936 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000853248056 588728807 /nfs/dbraw/zinc/72/88/07/588728807.db2.gz KWDVYIWAQSGXKA-VXGBXAGGSA-N 2 2 238.306 1.572 20 10 BDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000853248056 588728808 /nfs/dbraw/zinc/72/88/08/588728808.db2.gz KWDVYIWAQSGXKA-VXGBXAGGSA-N 2 2 238.306 1.572 20 10 BDCDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1O ZINC000902408630 584575792 /nfs/dbraw/zinc/57/57/92/584575792.db2.gz ZSASWMKLYRTFCK-ZETCQYMHSA-N 2 2 242.269 1.812 20 10 BDCDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000902446232 584594224 /nfs/dbraw/zinc/59/42/24/584594224.db2.gz SSAZZMAUXADVQM-YPMHNXCESA-N 2 2 246.354 1.967 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464255 584612976 /nfs/dbraw/zinc/61/29/76/584612976.db2.gz BDSZAGCCZUPYDC-MROQNXINSA-N 2 2 244.338 1.862 20 10 BDCDLP COc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960576 584828285 /nfs/dbraw/zinc/82/82/85/584828285.db2.gz PHGZSLGWKXESSF-DGCLKSJQSA-N 2 2 234.343 1.701 20 10 BDCDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000817952805 586848913 /nfs/dbraw/zinc/84/89/13/586848913.db2.gz SUTBVAQUTIFAGP-QMMMGPOBSA-N 2 2 228.723 1.916 20 10 BDCDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955710 586849839 /nfs/dbraw/zinc/84/98/39/586849839.db2.gz FVJZTQWWVDJCDW-FZMZJTMJSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955710 586849842 /nfs/dbraw/zinc/84/98/42/586849842.db2.gz FVJZTQWWVDJCDW-FZMZJTMJSA-N 2 2 233.359 1.351 20 10 BDCDLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817964891 586854358 /nfs/dbraw/zinc/85/43/58/586854358.db2.gz IPPLOYFJABWOTR-SSDOTTSWSA-N 2 2 242.269 1.540 20 10 BDCDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817972762 586859247 /nfs/dbraw/zinc/85/92/47/586859247.db2.gz OIOFJEYESTZWBM-SFYZADRCSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000841023791 587935598 /nfs/dbraw/zinc/93/55/98/587935598.db2.gz FVOBREODOTYWMM-LDYMZIIASA-N 2 2 224.279 1.453 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000841023791 587935599 /nfs/dbraw/zinc/93/55/99/587935599.db2.gz FVOBREODOTYWMM-LDYMZIIASA-N 2 2 224.279 1.453 20 10 BDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035685 587937944 /nfs/dbraw/zinc/93/79/44/587937944.db2.gz JSOXUVIJGJNIHX-VIFPVBQESA-N 2 2 240.734 1.887 20 10 BDCDLP C[C@H](C[NH3+])C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841047694 587939181 /nfs/dbraw/zinc/93/91/81/587939181.db2.gz BSZSBOUZVIFEHL-SSDOTTSWSA-N 2 2 246.713 1.869 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1cc(F)ccc1O ZINC000841046567 587939479 /nfs/dbraw/zinc/93/94/79/587939479.db2.gz HKTVHHXYZANDFO-UHFFFAOYSA-N 2 2 226.295 1.621 20 10 BDCDLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843043697 588075367 /nfs/dbraw/zinc/07/53/67/588075367.db2.gz DCFGRELQECGGIA-JTQLQIEISA-N 2 2 224.279 1.454 20 10 BDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843043697 588075368 /nfs/dbraw/zinc/07/53/68/588075368.db2.gz DCFGRELQECGGIA-JTQLQIEISA-N 2 2 224.279 1.454 20 10 BDCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000843043830 588075757 /nfs/dbraw/zinc/07/57/57/588075757.db2.gz JPZHSFXFFDEUHK-JTQLQIEISA-N 2 2 236.315 1.324 20 10 BDCDLP COc1cccc(O)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000843043830 588075759 /nfs/dbraw/zinc/07/57/59/588075759.db2.gz JPZHSFXFFDEUHK-JTQLQIEISA-N 2 2 236.315 1.324 20 10 BDCDLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843045467 588076120 /nfs/dbraw/zinc/07/61/20/588076120.db2.gz SHSZDWHBORMNLE-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843045467 588076122 /nfs/dbraw/zinc/07/61/22/588076122.db2.gz SHSZDWHBORMNLE-GFCCVEGCSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843045468 588076409 /nfs/dbraw/zinc/07/64/09/588076409.db2.gz SHSZDWHBORMNLE-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843045468 588076411 /nfs/dbraw/zinc/07/64/11/588076411.db2.gz SHSZDWHBORMNLE-LBPRGKRZSA-N 2 2 220.316 1.494 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000843056157 588078019 /nfs/dbraw/zinc/07/80/19/588078019.db2.gz VTQXVSXKDPPXBG-LLVKDONJSA-N 2 2 238.306 1.715 20 10 BDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000843056157 588078021 /nfs/dbraw/zinc/07/80/21/588078021.db2.gz VTQXVSXKDPPXBG-LLVKDONJSA-N 2 2 238.306 1.715 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1O ZINC000863651324 589307014 /nfs/dbraw/zinc/30/70/14/589307014.db2.gz GMVTWGXHUMMTLW-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000863651324 589307015 /nfs/dbraw/zinc/30/70/15/589307015.db2.gz GMVTWGXHUMMTLW-QMMMGPOBSA-N 2 2 228.723 1.825 20 10 BDCDLP COc1cccc(O)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863653175 589307614 /nfs/dbraw/zinc/30/76/14/589307614.db2.gz DRMROXVRCXSLAD-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863653175 589307615 /nfs/dbraw/zinc/30/76/15/589307615.db2.gz DRMROXVRCXSLAD-VIFPVBQESA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863653174 589307993 /nfs/dbraw/zinc/30/79/93/589307993.db2.gz DRMROXVRCXSLAD-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP COc1cccc(O)c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863653174 589307994 /nfs/dbraw/zinc/30/79/94/589307994.db2.gz DRMROXVRCXSLAD-SECBINFHSA-N 2 2 224.304 1.180 20 10 BDCDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000876961572 590261395 /nfs/dbraw/zinc/26/13/95/590261395.db2.gz INPGMPXLPVRDMC-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132222051 591694127 /nfs/dbraw/zinc/69/41/27/591694127.db2.gz RRIDUCTXKCYAPD-OLZOCXBDSA-N 2 2 232.327 1.719 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132222051 591694130 /nfs/dbraw/zinc/69/41/30/591694130.db2.gz RRIDUCTXKCYAPD-OLZOCXBDSA-N 2 2 232.327 1.719 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027944 636950890 /nfs/dbraw/zinc/95/08/90/636950890.db2.gz DFFHIAXTDUIVOQ-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027944 636950897 /nfs/dbraw/zinc/95/08/97/636950897.db2.gz DFFHIAXTDUIVOQ-NSHDSACASA-N 2 2 236.315 1.324 20 10 BDCDLP [NH3+]C1CC([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000906510588 638182972 /nfs/dbraw/zinc/18/29/72/638182972.db2.gz MNIOBRYYZLGTHE-UHFFFAOYSA-N 2 2 244.697 1.764 20 10 BDCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1O ZINC000226584588 640779016 /nfs/dbraw/zinc/77/90/16/640779016.db2.gz YEMFFIMTIKENQZ-SNVBAGLBSA-N 2 2 249.289 1.906 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)C)c(C)c1 ZINC000923398193 644405386 /nfs/dbraw/zinc/40/53/86/644405386.db2.gz IJGHDLLUNYZCDJ-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)C)c(C)c1 ZINC000923398193 644405390 /nfs/dbraw/zinc/40/53/90/644405390.db2.gz IJGHDLLUNYZCDJ-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000396609274 711359968 /nfs/dbraw/zinc/35/99/68/711359968.db2.gz AVVDSZOTLKLNFT-JQWIXIFHSA-N 2 2 220.316 1.622 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726136 711368324 /nfs/dbraw/zinc/36/83/24/711368324.db2.gz YSWDGASQCPBEAK-WFASDCNBSA-N 2 2 247.386 1.983 20 10 BDCDLP COc1ccc(O)c([C@H](C)[NH2+]CC[NH3+])c1 ZINC000037712456 712745100 /nfs/dbraw/zinc/74/51/00/712745100.db2.gz FHIYHFGNJWNNRJ-QMMMGPOBSA-N 2 2 210.277 1.010 20 10 BDCDLP c1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000258800266 961063598 /nfs/dbraw/zinc/06/35/98/961063598.db2.gz CWLLXBLVRKMGBU-CQSZACIVSA-N 2 2 246.354 1.853 20 10 BDCDLP Nc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC001336287251 977618389 /nfs/dbraw/zinc/61/83/89/977618389.db2.gz ZIYTVGVUCXOPOS-UHFFFAOYSA-N 2 2 216.288 1.255 20 10 BDCDLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235043274 978961267 /nfs/dbraw/zinc/96/12/67/978961267.db2.gz DPHPKASQFXAINE-UONOGXRCSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235043274 978961269 /nfs/dbraw/zinc/96/12/69/978961269.db2.gz DPHPKASQFXAINE-UONOGXRCSA-N 2 2 246.354 1.945 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981901 979257284 /nfs/dbraw/zinc/25/72/84/979257284.db2.gz SNWJDUQPCBVJEQ-RISCZKNCSA-N 2 2 248.326 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981901 979257272 /nfs/dbraw/zinc/25/72/72/979257272.db2.gz SNWJDUQPCBVJEQ-RISCZKNCSA-N 2 2 248.326 1.324 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)ccc1N(C)C ZINC001236027857 979324435 /nfs/dbraw/zinc/32/44/35/979324435.db2.gz QGZKVXYLPPUSSB-ZFWWWQNUSA-N 2 2 245.370 1.594 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)ccc1N(C)C ZINC001236027857 979324448 /nfs/dbraw/zinc/32/44/48/979324448.db2.gz QGZKVXYLPPUSSB-ZFWWWQNUSA-N 2 2 245.370 1.594 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(OC)ccc1O ZINC001236864749 979765513 /nfs/dbraw/zinc/76/55/13/979765513.db2.gz DZUBVWFTJZOXII-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(OC)ccc1O ZINC001236864749 979765519 /nfs/dbraw/zinc/76/55/19/979765519.db2.gz DZUBVWFTJZOXII-NSHDSACASA-N 2 2 238.331 1.570 20 10 BDCDLP CC[N@H+](CC[NH3+])Cc1c(C)cc(OC)cc1O ZINC001577721082 984667134 /nfs/dbraw/zinc/66/71/34/984667134.db2.gz SMBXFQQMSSZANB-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP CC[N@@H+](CC[NH3+])Cc1c(C)cc(OC)cc1O ZINC001577721082 984667216 /nfs/dbraw/zinc/66/72/16/984667216.db2.gz SMBXFQQMSSZANB-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[NH2+]1 ZINC001579616697 986133605 /nfs/dbraw/zinc/13/36/05/986133605.db2.gz DXNAVJGHSPXIGK-CYBMUJFWSA-N 2 2 233.359 1.513 20 10 BDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C[NH2+]1 ZINC001246314580 987720011 /nfs/dbraw/zinc/72/00/11/987720011.db2.gz HCZGINPPUWTMOA-KOLCDFICSA-N 2 2 236.315 1.328 20 10 BDCDLP Nc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC001334775342 994632331 /nfs/dbraw/zinc/63/23/31/994632331.db2.gz WWXMJJPGXLMHMO-UHFFFAOYSA-N 2 2 217.316 1.110 20 10 BDCDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544017 173123874 /nfs/dbraw/zinc/12/38/74/173123874.db2.gz ORSJPWUATGTDEW-LLVKDONJSA-N 2 2 206.289 1.186 20 10 BDCDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544017 173123876 /nfs/dbraw/zinc/12/38/76/173123876.db2.gz ORSJPWUATGTDEW-LLVKDONJSA-N 2 2 206.289 1.186 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000853250085 588729094 /nfs/dbraw/zinc/72/90/94/588729094.db2.gz ZSZFOWNBKWUQTA-QMMMGPOBSA-N 2 2 228.723 1.743 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000854231722 583083447 /nfs/dbraw/zinc/08/34/47/583083447.db2.gz KSAWDYFCXHIHRK-YUMQZZPRSA-N 2 2 244.285 1.929 20 10 BDCDLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c(O)c1 ZINC000896554512 583812067 /nfs/dbraw/zinc/81/20/67/583812067.db2.gz ULQUBPYUMWHJHT-YPMHNXCESA-N 2 2 234.343 1.883 20 10 BDCDLP Cc1[nH+]cc(C[NH2+]Cc2c(O)cccc2F)n1C ZINC000896639506 583819689 /nfs/dbraw/zinc/81/96/89/583819689.db2.gz VQBFZCASJWTICC-UHFFFAOYSA-N 2 2 249.289 1.863 20 10 BDCDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945164 584991957 /nfs/dbraw/zinc/99/19/57/584991957.db2.gz WARRLEVCSNVKJT-CMPLNLGQSA-N 2 2 238.306 1.934 20 10 BDCDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902855 586835981 /nfs/dbraw/zinc/83/59/81/586835981.db2.gz ZNNRTBVTYNACIH-RISCZKNCSA-N 2 2 246.354 1.852 20 10 BDCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000817941953 586845007 /nfs/dbraw/zinc/84/50/07/586845007.db2.gz USIHIAPPXGQHCV-NEPJUHHUSA-N 2 2 232.327 1.721 20 10 BDCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945302 586846332 /nfs/dbraw/zinc/84/63/32/586846332.db2.gz ZBPSFXMPMBJCFF-WCBMZHEXSA-N 2 2 224.279 1.544 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951620 586847899 /nfs/dbraw/zinc/84/78/99/586847899.db2.gz HOSVXMSNMAKAKG-KOLCDFICSA-N 2 2 238.306 1.934 20 10 BDCDLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(F)cc1O ZINC000817953273 586848658 /nfs/dbraw/zinc/84/86/58/586848658.db2.gz YHGLUSDNJWNEQV-LLVKDONJSA-N 2 2 226.295 1.791 20 10 BDCDLP CCC[NH2+]CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963663 586853842 /nfs/dbraw/zinc/85/38/42/586853842.db2.gz WWUYSOKIMVMJEN-LBPRGKRZSA-N 2 2 234.343 1.969 20 10 BDCDLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1O ZINC000817974171 586860169 /nfs/dbraw/zinc/86/01/69/586860169.db2.gz ZXGLGKUJQDQNIF-KCJUWKMLSA-N 2 2 226.295 1.919 20 10 BDCDLP [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000841028561 587936377 /nfs/dbraw/zinc/93/63/77/587936377.db2.gz PPROGUBVWFANLW-LLVKDONJSA-N 2 2 224.279 1.358 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036585 587938064 /nfs/dbraw/zinc/93/80/64/587938064.db2.gz RKJKIDGAVQQTFJ-CQSZACIVSA-N 2 2 247.386 1.903 20 10 BDCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000841045617 587939004 /nfs/dbraw/zinc/93/90/04/587939004.db2.gz ZCDZYVYGMCYQOM-AWEZNQCLSA-N 2 2 247.386 1.984 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1O ZINC000841070208 587942727 /nfs/dbraw/zinc/94/27/27/587942727.db2.gz MQNDACOYDJVLMZ-JTQLQIEISA-N 2 2 228.723 1.873 20 10 BDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000841067055 587943122 /nfs/dbraw/zinc/94/31/22/587943122.db2.gz ZZVATBSLZVGQHS-SNVBAGLBSA-N 2 2 238.331 1.488 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841090405 587946028 /nfs/dbraw/zinc/94/60/28/587946028.db2.gz OQBGADUQGHAIPB-GFCCVEGCSA-N 2 2 238.306 1.763 20 10 BDCDLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC000843045554 588075843 /nfs/dbraw/zinc/07/58/43/588075843.db2.gz UXUVONKJKSFTFN-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC000843045554 588075845 /nfs/dbraw/zinc/07/58/45/588075845.db2.gz UXUVONKJKSFTFN-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000843043844 588076104 /nfs/dbraw/zinc/07/61/04/588076104.db2.gz KYSYDQWGRCJGLV-ZDUSSCGKSA-N 2 2 234.343 1.932 20 10 BDCDLP Cc1cc(O)c(C[N@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000843043844 588076106 /nfs/dbraw/zinc/07/61/06/588076106.db2.gz KYSYDQWGRCJGLV-ZDUSSCGKSA-N 2 2 234.343 1.932 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000843056158 588078118 /nfs/dbraw/zinc/07/81/18/588078118.db2.gz VTQXVSXKDPPXBG-NSHDSACASA-N 2 2 238.306 1.715 20 10 BDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000843056158 588078120 /nfs/dbraw/zinc/07/81/20/588078120.db2.gz VTQXVSXKDPPXBG-NSHDSACASA-N 2 2 238.306 1.715 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863483821 589293064 /nfs/dbraw/zinc/29/30/64/589293064.db2.gz DULUZDOYRXOHSY-DGCLKSJQSA-N 2 2 234.343 1.931 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C[NH2+]1 ZINC000863485160 589293415 /nfs/dbraw/zinc/29/34/15/589293415.db2.gz VOQLEKYPDSZJMO-MWLCHTKSSA-N 2 2 238.306 1.761 20 10 BDCDLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487672 589293660 /nfs/dbraw/zinc/29/36/60/589293660.db2.gz TXBUMDBTFLVJMS-CMPLNLGQSA-N 2 2 220.316 1.541 20 10 BDCDLP CC(C)[C@H](C[NH3+])C[NH2+]c1ccc(N)cc1 ZINC000873210572 589993971 /nfs/dbraw/zinc/99/39/71/589993971.db2.gz KGPWTIFSUFGIND-SNVBAGLBSA-N 2 2 207.321 1.912 20 10 BDCDLP Cc1cccc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000124663350 590071172 /nfs/dbraw/zinc/07/11/72/590071172.db2.gz UTHQSMLBCOFCHY-UHFFFAOYSA-N 2 2 231.299 1.687 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000877019729 590269933 /nfs/dbraw/zinc/26/99/33/590269933.db2.gz QACMBRFMRGQSAU-LLVKDONJSA-N 2 2 220.316 1.494 20 10 BDCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000877019729 590269934 /nfs/dbraw/zinc/26/99/34/590269934.db2.gz QACMBRFMRGQSAU-LLVKDONJSA-N 2 2 220.316 1.494 20 10 BDCDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048538 592501671 /nfs/dbraw/zinc/50/16/71/592501671.db2.gz LBKIXPNWTVAPAT-BXUZGUMPSA-N 2 2 233.359 1.532 20 10 BDCDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048538 592501673 /nfs/dbraw/zinc/50/16/73/592501673.db2.gz LBKIXPNWTVAPAT-BXUZGUMPSA-N 2 2 233.359 1.532 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000309625052 632587221 /nfs/dbraw/zinc/58/72/21/632587221.db2.gz PYEFGQXGGGSROE-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1O ZINC000309625052 632587225 /nfs/dbraw/zinc/58/72/25/632587225.db2.gz PYEFGQXGGGSROE-LLVKDONJSA-N 2 2 206.289 1.234 20 10 BDCDLP C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000053201578 634072498 /nfs/dbraw/zinc/07/24/98/634072498.db2.gz QRDBOWAMQSERFB-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000053201578 634072506 /nfs/dbraw/zinc/07/25/06/634072506.db2.gz QRDBOWAMQSERFB-LBPRGKRZSA-N 2 2 220.316 1.576 20 10 BDCDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841064777 636972604 /nfs/dbraw/zinc/97/26/04/636972604.db2.gz JLAWDFRSBBKWGC-RISCZKNCSA-N 2 2 246.354 1.852 20 10 BDCDLP CCOc1cccc(C[N@H+](CC)CC[NH3+])c1O ZINC000306044622 643286372 /nfs/dbraw/zinc/28/63/72/643286372.db2.gz UTOGLNXTPUXNKD-UHFFFAOYSA-N 2 2 238.331 1.572 20 10 BDCDLP CCOc1cccc(C[N@@H+](CC)CC[NH3+])c1O ZINC000306044622 643286380 /nfs/dbraw/zinc/28/63/80/643286380.db2.gz UTOGLNXTPUXNKD-UHFFFAOYSA-N 2 2 238.331 1.572 20 10 BDCDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000084529863 643665339 /nfs/dbraw/zinc/66/53/39/643665339.db2.gz WSRUNZXHQQNQOR-CYBMUJFWSA-N 2 2 234.343 1.845 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366136 644378467 /nfs/dbraw/zinc/37/84/67/644378467.db2.gz JUERLLQJZJKZRZ-TZMCWYRMSA-N 2 2 247.386 1.840 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366136 644378474 /nfs/dbraw/zinc/37/84/74/644378474.db2.gz JUERLLQJZJKZRZ-TZMCWYRMSA-N 2 2 247.386 1.840 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817980963 644994048 /nfs/dbraw/zinc/99/40/48/644994048.db2.gz YOMMZIUDLFVWSL-WPRPVWTQSA-N 2 2 226.295 1.919 20 10 BDCDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783629 646479674 /nfs/dbraw/zinc/47/96/74/646479674.db2.gz KKGWIGRNWGVECJ-VDDIYKPWSA-N 2 2 238.306 1.790 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000020 711417653 /nfs/dbraw/zinc/41/76/53/711417653.db2.gz BPPGBQOCPDANQL-TZMCWYRMSA-N 2 2 247.386 1.983 20 10 BDCDLP CCC[NH2+]CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228719124 711835985 /nfs/dbraw/zinc/83/59/85/711835985.db2.gz WGKHEZCCAGOQJT-UHFFFAOYSA-N 2 2 235.375 1.842 20 10 BDCDLP COc1cc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236908602 979793237 /nfs/dbraw/zinc/79/32/37/979793237.db2.gz LWDACXVWIFLYLC-JTQLQIEISA-N 2 2 238.331 1.488 20 10 BDCDLP COc1cc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236908602 979793242 /nfs/dbraw/zinc/79/32/42/979793242.db2.gz LWDACXVWIFLYLC-JTQLQIEISA-N 2 2 238.331 1.488 20 10 BDCDLP Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436410 972481019 /nfs/dbraw/zinc/48/10/19/972481019.db2.gz XNTWVGVWSNDJNJ-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP Nc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436410 972481024 /nfs/dbraw/zinc/48/10/24/972481024.db2.gz XNTWVGVWSNDJNJ-HNNXBMFYSA-N 2 2 245.370 1.987 20 10 BDCDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001235994754 966214492 /nfs/dbraw/zinc/21/44/92/966214492.db2.gz QCJUIBPVYRBYJO-MFKMUULPSA-N 2 2 236.290 1.454 20 10 BDCDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001235994754 966214506 /nfs/dbraw/zinc/21/45/06/966214506.db2.gz QCJUIBPVYRBYJO-MFKMUULPSA-N 2 2 236.290 1.454 20 10 BDCDLP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236022889 966236340 /nfs/dbraw/zinc/23/63/40/966236340.db2.gz AZBBGEVZXYDWHA-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236022889 966236355 /nfs/dbraw/zinc/23/63/55/966236355.db2.gz AZBBGEVZXYDWHA-AAEUAGOBSA-N 2 2 218.300 1.234 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1O ZINC001236865758 966599360 /nfs/dbraw/zinc/59/93/60/966599360.db2.gz ODNLXGBUTCNPBF-NSHDSACASA-N 2 2 208.305 1.561 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1O ZINC001236865758 966599364 /nfs/dbraw/zinc/59/93/64/966599364.db2.gz ODNLXGBUTCNPBF-NSHDSACASA-N 2 2 208.305 1.561 20 10 BDCDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001204945049 967251573 /nfs/dbraw/zinc/25/15/73/967251573.db2.gz DTFYTQRLLSPLHZ-CYBMUJFWSA-N 2 2 219.332 1.582 20 10 BDCDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001204945049 967251591 /nfs/dbraw/zinc/25/15/91/967251591.db2.gz DTFYTQRLLSPLHZ-CYBMUJFWSA-N 2 2 219.332 1.582 20 10 BDCDLP Cc1cc(F)cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206075611 968043730 /nfs/dbraw/zinc/04/37/30/968043730.db2.gz RWDRTGQOLMQLRO-BXKDBHETSA-N 2 2 238.306 1.619 20 10 BDCDLP Cc1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206075611 968043734 /nfs/dbraw/zinc/04/37/34/968043734.db2.gz RWDRTGQOLMQLRO-BXKDBHETSA-N 2 2 238.306 1.619 20 10 BDCDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001235991234 979278361 /nfs/dbraw/zinc/27/83/61/979278361.db2.gz KSLPVTZRHNSMLL-ZWNOBZJWSA-N 2 2 234.299 1.021 20 10 BDCDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001235991234 979278369 /nfs/dbraw/zinc/27/83/69/979278369.db2.gz KSLPVTZRHNSMLL-ZWNOBZJWSA-N 2 2 234.299 1.021 20 10 BDCDLP Cc1cccc(O)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236909674 979785807 /nfs/dbraw/zinc/78/58/07/979785807.db2.gz VDIOBEPUTAONHS-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1cccc(O)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236909674 979785812 /nfs/dbraw/zinc/78/58/12/979785812.db2.gz VDIOBEPUTAONHS-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Nc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001352788102 982576672 /nfs/dbraw/zinc/57/66/72/982576672.db2.gz CAGZMZICBHPBFE-KGLIPLIRSA-N 2 2 231.343 1.643 20 10 BDCDLP Nc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001352788104 982578874 /nfs/dbraw/zinc/57/88/74/982578874.db2.gz CAGZMZICBHPBFE-ZIAGYGMSSA-N 2 2 231.343 1.643 20 10 BDCDLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000224569607 179093523 /nfs/dbraw/zinc/09/35/23/179093523.db2.gz SEGHZEJGPAPJNX-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000224569607 179093524 /nfs/dbraw/zinc/09/35/24/179093524.db2.gz SEGHZEJGPAPJNX-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000113328537 383977358 /nfs/dbraw/zinc/97/73/58/383977358.db2.gz AKXSCKCBUKFUPR-CYBMUJFWSA-N 2 2 234.343 1.884 20 10 BDCDLP Cc1ccc(O)c(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000071406421 384165139 /nfs/dbraw/zinc/16/51/39/384165139.db2.gz CTXRPAJLBDAIMH-UHFFFAOYSA-N 2 2 234.343 1.886 20 10 BDCDLP Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000274697087 386316149 /nfs/dbraw/zinc/31/61/49/386316149.db2.gz WXJOKTQEPLXYPK-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP Cc1ccc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000274697087 386316156 /nfs/dbraw/zinc/31/61/56/386316156.db2.gz WXJOKTQEPLXYPK-JTQLQIEISA-N 2 2 208.305 1.480 20 10 BDCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3O)[C@@H]2C1 ZINC000272699122 173132948 /nfs/dbraw/zinc/13/29/48/173132948.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3O)[C@@H]2C1 ZINC000272699122 173132950 /nfs/dbraw/zinc/13/29/50/173132950.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272699122 173132951 /nfs/dbraw/zinc/13/29/51/173132951.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272699122 173132954 /nfs/dbraw/zinc/13/29/54/173132954.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 2 2 246.354 1.918 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000853248278 588728790 /nfs/dbraw/zinc/72/87/90/588728790.db2.gz CVACAEBEKNKVHV-MRVPVSSYSA-N 2 2 228.723 1.743 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000853249639 588728841 /nfs/dbraw/zinc/72/88/41/588728841.db2.gz SGZVSLYJUCVUIV-SNVBAGLBSA-N 2 2 208.305 1.398 20 10 BDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000854231373 588781469 /nfs/dbraw/zinc/78/14/69/588781469.db2.gz GSKJPQUSAUWNCD-NXEZZACHSA-N 2 2 238.331 1.659 20 10 BDCDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841038021 584083339 /nfs/dbraw/zinc/08/33/39/584083339.db2.gz FVOINLQXOPXSSC-LBPRGKRZSA-N 2 2 240.322 1.994 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964359 584834072 /nfs/dbraw/zinc/83/40/72/584834072.db2.gz KEFVHOXPXOZQQB-IUODEOHRSA-N 2 2 247.386 1.759 20 10 BDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000817944607 586846271 /nfs/dbraw/zinc/84/62/71/586846271.db2.gz IAOHRXDULMPLMM-GHMZBOCLSA-N 2 2 218.300 1.331 20 10 BDCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945301 586846343 /nfs/dbraw/zinc/84/63/43/586846343.db2.gz ZBPSFXMPMBJCFF-SCZZXKLOSA-N 2 2 224.279 1.544 20 10 BDCDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817969608 586856433 /nfs/dbraw/zinc/85/64/33/586856433.db2.gz FADKZQPUNAYFNI-YUMQZZPRSA-N 2 2 212.268 1.529 20 10 BDCDLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1O ZINC000817974173 586859895 /nfs/dbraw/zinc/85/98/95/586859895.db2.gz ZXGLGKUJQDQNIF-LDYMZIIASA-N 2 2 226.295 1.919 20 10 BDCDLP Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000841026649 587935293 /nfs/dbraw/zinc/93/52/93/587935293.db2.gz NKNJRRYIXJHTMI-YPMHNXCESA-N 2 2 232.327 1.494 20 10 BDCDLP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000841026649 587935294 /nfs/dbraw/zinc/93/52/94/587935294.db2.gz NKNJRRYIXJHTMI-YPMHNXCESA-N 2 2 232.327 1.494 20 10 BDCDLP Oc1c(F)cccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841033624 587937254 /nfs/dbraw/zinc/93/72/54/587937254.db2.gz YCOUPOSMSUHCTF-LLVKDONJSA-N 2 2 238.306 1.763 20 10 BDCDLP C[NH2+]CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841036029 587937741 /nfs/dbraw/zinc/93/77/41/587937741.db2.gz NFOPLBMNOBOTCO-UHFFFAOYSA-N 2 2 244.722 1.363 20 10 BDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036732 587937746 /nfs/dbraw/zinc/93/77/46/587937746.db2.gz WSJXDDVLCGUSGD-LLVKDONJSA-N 2 2 224.279 1.373 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841035735 587937768 /nfs/dbraw/zinc/93/77/68/587937768.db2.gz LDFIFKDBGGSKIF-UHFFFAOYSA-N 2 2 235.375 1.760 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841037661 587937963 /nfs/dbraw/zinc/93/79/63/587937963.db2.gz RLNWZAUONDMMOX-UHFFFAOYSA-N 2 2 246.713 1.884 20 10 BDCDLP CC[NH2+]CC[NH2+]Cc1cc(OCC)ccc1O ZINC000841035707 587938166 /nfs/dbraw/zinc/93/81/66/587938166.db2.gz JOLMIHLBDGYBLJ-UHFFFAOYSA-N 2 2 238.331 1.490 20 10 BDCDLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000841048158 587938833 /nfs/dbraw/zinc/93/88/33/587938833.db2.gz CGZUBNBRFSCLSK-NSHDSACASA-N 2 2 240.734 1.873 20 10 BDCDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841045468 587939441 /nfs/dbraw/zinc/93/94/41/587939441.db2.gz WDGVSQDHAIAOHO-SNVBAGLBSA-N 2 2 226.707 1.497 20 10 BDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059393 587940921 /nfs/dbraw/zinc/94/09/21/587940921.db2.gz RMGNIIKWWRGANC-DOMZBBRYSA-N 2 2 247.386 1.840 20 10 BDCDLP COc1cc(Cl)cc(C[NH2+][C@@H](C)C[NH3+])c1O ZINC000841064209 587941119 /nfs/dbraw/zinc/94/11/19/587941119.db2.gz VQHPHRTXVBTDJF-ZETCQYMHSA-N 2 2 244.722 1.491 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841063573 587941742 /nfs/dbraw/zinc/94/17/42/587941742.db2.gz NQFJXCDNSPOVNN-CABZTGNLSA-N 2 2 238.306 1.761 20 10 BDCDLP c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc2c1OCC2 ZINC000841091485 587946620 /nfs/dbraw/zinc/94/66/20/587946620.db2.gz YVVGPTXZNCDOIT-CQSZACIVSA-N 2 2 246.354 1.853 20 10 BDCDLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C2)c1O ZINC000843047332 588076256 /nfs/dbraw/zinc/07/62/56/588076256.db2.gz RCXYHQMLPWXHBY-NSHDSACASA-N 2 2 240.734 1.887 20 10 BDCDLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C2)c1O ZINC000843047332 588076258 /nfs/dbraw/zinc/07/62/58/588076258.db2.gz RCXYHQMLPWXHBY-NSHDSACASA-N 2 2 240.734 1.887 20 10 BDCDLP C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CC[NH2+]C1 ZINC000843049327 588076745 /nfs/dbraw/zinc/07/67/45/588076745.db2.gz KLTQLDXBGFFFEQ-SNVBAGLBSA-N 2 2 240.734 1.839 20 10 BDCDLP C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CC[NH2+]C1 ZINC000843049327 588076747 /nfs/dbraw/zinc/07/67/47/588076747.db2.gz KLTQLDXBGFFFEQ-SNVBAGLBSA-N 2 2 240.734 1.839 20 10 BDCDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000863482005 589292689 /nfs/dbraw/zinc/29/26/89/589292689.db2.gz PJUVPXYXBGJAQQ-UONOGXRCSA-N 2 2 246.354 1.852 20 10 BDCDLP C[N@H+](C[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556565 589299191 /nfs/dbraw/zinc/29/91/91/589299191.db2.gz UJEIYBCKGXROGI-JTQLQIEISA-N 2 2 205.305 1.315 20 10 BDCDLP C[N@@H+](C[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556565 589299192 /nfs/dbraw/zinc/29/91/92/589299192.db2.gz UJEIYBCKGXROGI-JTQLQIEISA-N 2 2 205.305 1.315 20 10 BDCDLP CCOc1ccc(O)c(C[N@H+](CC)CC[NH3+])c1 ZINC000863644928 589306752 /nfs/dbraw/zinc/30/67/52/589306752.db2.gz MHFMUWUHPJORLO-UHFFFAOYSA-N 2 2 238.331 1.572 20 10 BDCDLP CCOc1ccc(O)c(C[N@@H+](CC)CC[NH3+])c1 ZINC000863644928 589306754 /nfs/dbraw/zinc/30/67/54/589306754.db2.gz MHFMUWUHPJORLO-UHFFFAOYSA-N 2 2 238.331 1.572 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1O ZINC000863652889 589307668 /nfs/dbraw/zinc/30/76/68/589307668.db2.gz XYPWNIQCKLHGEQ-MRVPVSSYSA-N 2 2 212.268 1.310 20 10 BDCDLP CN(C)c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000054416867 636635094 /nfs/dbraw/zinc/63/50/94/636635094.db2.gz SBHSTCKRDKDAQJ-UHFFFAOYSA-N 2 2 207.321 1.143 20 10 BDCDLP CN(C)c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000054416867 636635099 /nfs/dbraw/zinc/63/50/99/636635099.db2.gz SBHSTCKRDKDAQJ-UHFFFAOYSA-N 2 2 207.321 1.143 20 10 BDCDLP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000383435509 710981676 /nfs/dbraw/zinc/98/16/76/710981676.db2.gz FGTLPJXATNLFGM-ONGXEEELSA-N 2 2 236.315 1.322 20 10 BDCDLP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000383435509 710981678 /nfs/dbraw/zinc/98/16/78/710981678.db2.gz FGTLPJXATNLFGM-ONGXEEELSA-N 2 2 236.315 1.322 20 10 BDCDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726135 711368449 /nfs/dbraw/zinc/36/84/49/711368449.db2.gz YSWDGASQCPBEAK-SWLSCSKDSA-N 2 2 247.386 1.983 20 10 BDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832522 712869035 /nfs/dbraw/zinc/86/90/35/712869035.db2.gz ASHIHPUJNFDLRV-AWEZNQCLSA-N 2 2 247.386 1.922 20 10 BDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832522 712869038 /nfs/dbraw/zinc/86/90/38/712869038.db2.gz ASHIHPUJNFDLRV-AWEZNQCLSA-N 2 2 247.386 1.922 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405906235 971320429 /nfs/dbraw/zinc/32/04/29/971320429.db2.gz VPCUIFNDBXVWKO-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405906235 971320435 /nfs/dbraw/zinc/32/04/35/971320435.db2.gz VPCUIFNDBXVWKO-CYBMUJFWSA-N 2 2 236.315 1.324 20 10 BDCDLP [NH3+][C@@H]1CCN(c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001164282076 965826119 /nfs/dbraw/zinc/82/61/19/965826119.db2.gz SHXYXMNRLLXMQM-CYBMUJFWSA-N 2 2 242.326 1.469 20 10 BDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990601 966210937 /nfs/dbraw/zinc/21/09/37/966210937.db2.gz KLILDQKWWJCPJT-RISCZKNCSA-N 2 2 248.326 1.329 20 10 BDCDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990601 966210950 /nfs/dbraw/zinc/21/09/50/966210950.db2.gz KLILDQKWWJCPJT-RISCZKNCSA-N 2 2 248.326 1.329 20 10 BDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001236900226 966612105 /nfs/dbraw/zinc/61/21/05/966612105.db2.gz QJUMULLONLZIHN-NSHDSACASA-N 2 2 249.358 1.294 20 10 BDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001236900226 966612116 /nfs/dbraw/zinc/61/21/16/966612116.db2.gz QJUMULLONLZIHN-NSHDSACASA-N 2 2 249.358 1.294 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc(O)ccc1O ZINC001205189550 967416676 /nfs/dbraw/zinc/41/66/76/967416676.db2.gz BFSZVEXJFCWRCR-LDYMZIIASA-N 2 2 222.288 1.019 20 10 BDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc(O)ccc1O ZINC001205189550 967416682 /nfs/dbraw/zinc/41/66/82/967416682.db2.gz BFSZVEXJFCWRCR-LDYMZIIASA-N 2 2 222.288 1.019 20 10 BDCDLP Nc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC001334753529 976619025 /nfs/dbraw/zinc/61/90/25/976619025.db2.gz GOSBFRVFVHOMNM-ZDUSSCGKSA-N 2 2 231.343 1.643 20 10 BDCDLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235076055 978969075 /nfs/dbraw/zinc/96/90/75/978969075.db2.gz DPHPKASQFXAINE-ZIAGYGMSSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235076055 978969079 /nfs/dbraw/zinc/96/90/79/978969079.db2.gz DPHPKASQFXAINE-ZIAGYGMSSA-N 2 2 246.354 1.945 20 10 BDCDLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030087 979327762 /nfs/dbraw/zinc/32/77/62/979327762.db2.gz PQFDMEHZXZAXHH-BXUZGUMPSA-N 2 2 232.327 1.542 20 10 BDCDLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030087 979327768 /nfs/dbraw/zinc/32/77/68/979327768.db2.gz PQFDMEHZXZAXHH-BXUZGUMPSA-N 2 2 232.327 1.542 20 10 BDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N)cc1 ZINC001236883895 979775921 /nfs/dbraw/zinc/77/59/21/979775921.db2.gz HMDHEMCRBGAVKY-NSHDSACASA-N 2 2 207.321 1.438 20 10 BDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N)cc1 ZINC001236883895 979775930 /nfs/dbraw/zinc/77/59/30/979775930.db2.gz HMDHEMCRBGAVKY-NSHDSACASA-N 2 2 207.321 1.438 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C[NH2+]1 ZINC001246314581 987721747 /nfs/dbraw/zinc/72/17/47/987721747.db2.gz HCZGINPPUWTMOA-MWLCHTKSSA-N 2 2 236.315 1.328 20 10 BDCDLP C[C@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871291 988632984 /nfs/dbraw/zinc/63/29/84/988632984.db2.gz YWGLXFMBTHVDJX-AAEUAGOBSA-N 2 2 246.354 1.891 20 10 BDCDLP C[C@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871291 988632991 /nfs/dbraw/zinc/63/29/91/988632991.db2.gz YWGLXFMBTHVDJX-AAEUAGOBSA-N 2 2 246.354 1.891 20 10 BDCDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546028 173153541 /nfs/dbraw/zinc/15/35/41/173153541.db2.gz XQFLFERGZXYKHM-ZDUSSCGKSA-N 2 2 232.327 1.415 20 10 BDCDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546028 173153542 /nfs/dbraw/zinc/15/35/42/173153542.db2.gz XQFLFERGZXYKHM-ZDUSSCGKSA-N 2 2 232.327 1.415 20 10 BDCDLP COc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000071309235 175254851 /nfs/dbraw/zinc/25/48/51/175254851.db2.gz KYDFPZDDAAUKNY-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000071309235 175254852 /nfs/dbraw/zinc/25/48/52/175254852.db2.gz KYDFPZDDAAUKNY-NSHDSACASA-N 2 2 236.315 1.195 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484853 583992112 /nfs/dbraw/zinc/99/21/12/583992112.db2.gz NYUXJVCBLDKPRW-AAEUAGOBSA-N 2 2 234.343 1.931 20 10 BDCDLP Cc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841059554 584126101 /nfs/dbraw/zinc/12/61/01/584126101.db2.gz UJYDYXAGSDGXKZ-YPMHNXCESA-N 2 2 234.343 1.788 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)c1ccc(N)cc1 ZINC000903474710 584776731 /nfs/dbraw/zinc/77/67/31/584776731.db2.gz RCJPFHGEKQHAFL-MNOVXSKESA-N 2 2 219.332 1.561 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)c1ccc(N)cc1 ZINC000903474710 584776733 /nfs/dbraw/zinc/77/67/33/584776733.db2.gz RCJPFHGEKQHAFL-MNOVXSKESA-N 2 2 219.332 1.561 20 10 BDCDLP COc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964115 584833806 /nfs/dbraw/zinc/83/38/06/584833806.db2.gz MEJSVHRXKVPNJL-BXKDBHETSA-N 2 2 236.315 1.098 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904388068 584877727 /nfs/dbraw/zinc/87/77/27/584877727.db2.gz AYVAPMWZPWBEQX-BXUZGUMPSA-N 2 2 246.354 1.709 20 10 BDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219836505 585149546 /nfs/dbraw/zinc/14/95/46/585149546.db2.gz IEILJIJOVPAZBY-JTQLQIEISA-N 2 2 210.252 1.064 20 10 BDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219836505 585149547 /nfs/dbraw/zinc/14/95/47/585149547.db2.gz IEILJIJOVPAZBY-JTQLQIEISA-N 2 2 210.252 1.064 20 10 BDCDLP C[C@@H]([NH2+]CC[NH3+])c1cc(F)cc(F)c1O ZINC000817934053 586843505 /nfs/dbraw/zinc/84/35/05/586843505.db2.gz AZWOYPLNDVNFLV-ZCFIWIBFSA-N 2 2 216.231 1.280 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817951401 586847904 /nfs/dbraw/zinc/84/79/04/586847904.db2.gz FKLAJPWYEURIGL-SECBINFHSA-N 2 2 224.304 1.271 20 10 BDCDLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1O ZINC000817953297 586848719 /nfs/dbraw/zinc/84/87/19/586848719.db2.gz ZGIVZFLPOSXBMT-SNVBAGLBSA-N 2 2 208.305 1.652 20 10 BDCDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817953168 586849205 /nfs/dbraw/zinc/84/92/05/586849205.db2.gz OAGOLQLPSXRSIJ-LLVKDONJSA-N 2 2 221.348 1.623 20 10 BDCDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817965928 586855061 /nfs/dbraw/zinc/85/50/61/586855061.db2.gz XCTLLZKVBKZMII-PELKAZGASA-N 2 2 238.306 1.919 20 10 BDCDLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817970190 586857605 /nfs/dbraw/zinc/85/76/05/586857605.db2.gz NSIQBHHHRDHMIB-KWQFWETISA-N 2 2 226.295 1.919 20 10 BDCDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)ccc1O ZINC000817972760 586859827 /nfs/dbraw/zinc/85/98/27/586859827.db2.gz OIOFJEYESTZWBM-JGVFFNPUSA-N 2 2 212.268 1.529 20 10 BDCDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1O ZINC000817976848 586860381 /nfs/dbraw/zinc/86/03/81/586860381.db2.gz VLXBKAZERBGAKS-VWYCJHECSA-N 2 2 238.306 1.743 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043870 587939061 /nfs/dbraw/zinc/93/90/61/587939061.db2.gz YBUWOJJOZLFIIP-AWEZNQCLSA-N 2 2 247.386 1.903 20 10 BDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841045327 587939067 /nfs/dbraw/zinc/93/90/67/587939067.db2.gz SVVBEJPBXMBIND-ZDUSSCGKSA-N 2 2 233.359 1.513 20 10 BDCDLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000841048156 587939197 /nfs/dbraw/zinc/93/91/97/587939197.db2.gz CGZUBNBRFSCLSK-LLVKDONJSA-N 2 2 240.734 1.873 20 10 BDCDLP COc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841043663 587939395 /nfs/dbraw/zinc/93/93/95/587939395.db2.gz UWQLBEXCZCHNDR-NSHDSACASA-N 2 2 236.315 1.242 20 10 BDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058452 587940485 /nfs/dbraw/zinc/94/04/85/587940485.db2.gz HEMWVDSLODJIKO-CABZTGNLSA-N 2 2 238.306 1.619 20 10 BDCDLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841071394 587943261 /nfs/dbraw/zinc/94/32/61/587943261.db2.gz FTAHEMBXOHZEQD-VIFPVBQESA-N 2 2 212.268 1.358 20 10 BDCDLP Cc1cc(O)c(C[N@H+](C)CC[NH3+])cc1C ZINC000841100043 587946724 /nfs/dbraw/zinc/94/67/24/587946724.db2.gz DAQAQUFLSCEYLZ-UHFFFAOYSA-N 2 2 208.305 1.400 20 10 BDCDLP Cc1cc(O)c(C[N@@H+](C)CC[NH3+])cc1C ZINC000841100043 587946726 /nfs/dbraw/zinc/94/67/26/587946726.db2.gz DAQAQUFLSCEYLZ-UHFFFAOYSA-N 2 2 208.305 1.400 20 10 BDCDLP CC1([NH3+])CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843108014 588081749 /nfs/dbraw/zinc/08/17/49/588081749.db2.gz QUYUVUKVUBXBQN-UHFFFAOYSA-N 2 2 238.306 1.845 20 10 BDCDLP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc([NH3+])cc2)C1 ZINC000843126668 588084097 /nfs/dbraw/zinc/08/40/97/588084097.db2.gz SOEGIIHVRNLVDY-CABZTGNLSA-N 2 2 205.305 1.679 20 10 BDCDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1O ZINC000846701859 588283808 /nfs/dbraw/zinc/28/38/08/588283808.db2.gz DUANCMORAXKYFR-KOLCDFICSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1O ZINC000846701859 588283809 /nfs/dbraw/zinc/28/38/09/588283809.db2.gz DUANCMORAXKYFR-KOLCDFICSA-N 2 2 238.306 1.843 20 10 BDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C[NH2+]1 ZINC000863484628 589293104 /nfs/dbraw/zinc/29/31/04/589293104.db2.gz KDHJOHLQDZFPQV-BXKDBHETSA-N 2 2 238.306 1.761 20 10 BDCDLP Cc1cccc(O)c1C[NH2+]CCn1cc[nH+]c1 ZINC000876891596 590255036 /nfs/dbraw/zinc/25/50/36/590255036.db2.gz BUXYAORGUGBYAB-UHFFFAOYSA-N 2 2 231.299 1.687 20 10 BDCDLP Oc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000162938197 635203375 /nfs/dbraw/zinc/20/33/75/635203375.db2.gz BEESRBDQLYDCGZ-NSHDSACASA-N 2 2 206.289 1.234 20 10 BDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041027945 636951367 /nfs/dbraw/zinc/95/13/67/636951367.db2.gz DFFHIAXTDUIVOQ-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041027945 636951368 /nfs/dbraw/zinc/95/13/68/636951368.db2.gz DFFHIAXTDUIVOQ-LLVKDONJSA-N 2 2 236.315 1.324 20 10 BDCDLP [NH3+]C1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000906510107 638183362 /nfs/dbraw/zinc/18/33/62/638183362.db2.gz MSVSEAHMEDXRNJ-UHFFFAOYSA-N 2 2 226.707 1.625 20 10 BDCDLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412916 644415244 /nfs/dbraw/zinc/41/52/44/644415244.db2.gz KYJIUBWCPIEFQH-JSGCOSHPSA-N 2 2 247.386 1.983 20 10 BDCDLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412916 644415248 /nfs/dbraw/zinc/41/52/48/644415248.db2.gz KYJIUBWCPIEFQH-JSGCOSHPSA-N 2 2 247.386 1.983 20 10 BDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000393804186 710755574 /nfs/dbraw/zinc/75/55/74/710755574.db2.gz VFYXZCDJSKRHJN-LLVKDONJSA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000393804186 710755577 /nfs/dbraw/zinc/75/55/77/710755577.db2.gz VFYXZCDJSKRHJN-LLVKDONJSA-N 2 2 221.348 1.532 20 10 BDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C[NH2+]1 ZINC000398953718 711417892 /nfs/dbraw/zinc/41/78/92/711417892.db2.gz GAIJVANITSRWKI-JQWIXIFHSA-N 2 2 220.316 1.622 20 10 BDCDLP Oc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385374163 711010927 /nfs/dbraw/zinc/01/09/27/711010927.db2.gz LVOVVPMSGUIMBU-PWSUYJOCSA-N 2 2 218.300 1.186 20 10 BDCDLP Oc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385374163 711010930 /nfs/dbraw/zinc/01/09/30/711010930.db2.gz LVOVVPMSGUIMBU-PWSUYJOCSA-N 2 2 218.300 1.186 20 10 BDCDLP C[N@@H+](Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000234330839 711529950 /nfs/dbraw/zinc/52/99/50/711529950.db2.gz OSNSXQKTQIZYCO-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[N@H+](Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000234330839 711529952 /nfs/dbraw/zinc/52/99/52/711529952.db2.gz OSNSXQKTQIZYCO-GFCCVEGCSA-N 2 2 220.316 1.576 20 10 BDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000229101103 711837738 /nfs/dbraw/zinc/83/77/38/711837738.db2.gz UQTCECHVDJXCHH-NSHDSACASA-N 2 2 234.343 1.709 20 10 BDCDLP