smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](N)C[NH+](C)C)cc1 19821188 673946620 /nfs/dbraw/zinc/94/66/20/673946620.db2.gz SQKFDJYYIBKNGD-NSHDSACASA-N 1 1 178.279 1.556 50 0 ADAAMO N[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 757208839 674027361 /nfs/dbraw/zinc/02/73/61/674027361.db2.gz DZODFLCTGDHQGY-GHMZBOCLSA-N 1 1 182.311 1.646 50 0 ADAAMO N[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 757208844 674027428 /nfs/dbraw/zinc/02/74/28/674027428.db2.gz DZODFLCTGDHQGY-MNOVXSKESA-N 1 1 182.311 1.646 50 0 ADAAMO Cc1ccn(-c2ccc(C)[nH+]c2N)n1 199461598 1169298297 /nfs/dbraw/zinc/29/82/97/1169298297.db2.gz NLPXIZYKKXXWSE-UHFFFAOYSA-N 1 1 188.234 1.466 50 0 ADAAMO c1nc2c([nH]1)CC[C@H]1[NH2+]CCC[C@@H]21 238018664 1169417977 /nfs/dbraw/zinc/41/79/77/1169417977.db2.gz WRVHORQXXLTWRI-HTQZYQBOSA-N 1 1 177.251 1.192 50 0 ADAAMO c1nc2c([nH]1)CC[C@@H]1[NH2+]CCC[C@H]21 238021724 1169418325 /nfs/dbraw/zinc/41/83/25/1169418325.db2.gz WRVHORQXXLTWRI-YUMQZZPRSA-N 1 1 177.251 1.192 50 0 ADAAMO c1nc2c([nH]1)CC[C@H]1[NH2+]CCC[C@H]21 238018696 1169418628 /nfs/dbraw/zinc/41/86/28/1169418628.db2.gz WRVHORQXXLTWRI-JGVFFNPUSA-N 1 1 177.251 1.192 50 0 ADAAMO c1nc2c([nH]1)CC[C@@H]1[NH2+]CCC[C@@H]21 238021695 1169419243 /nfs/dbraw/zinc/41/92/43/1169419243.db2.gz WRVHORQXXLTWRI-SFYZADRCSA-N 1 1 177.251 1.192 50 0 ADAAMO C=CC(=O)NCC[N@@H+]1CCCC1(C)C 1336675757 1170377001 /nfs/dbraw/zinc/37/70/01/1170377001.db2.gz IBGHBLJGJQZKIW-UHFFFAOYSA-N 1 1 196.294 1.163 50 0 ADAAMO CC(C)[C@H]1C(=O)C[C@H](C)C[N@H+]1C 190468 571683929 /nfs/dbraw/zinc/68/39/29/571683929.db2.gz ALCOISCHVBFFNS-WPRPVWTQSA-N 1 1 169.268 1.552 50 0 ADAAMO CC(C)[C@H]1C(=O)C[C@H](C)C[N@@H+]1C 190468 571683932 /nfs/dbraw/zinc/68/39/32/571683932.db2.gz ALCOISCHVBFFNS-WPRPVWTQSA-N 1 1 169.268 1.552 50 0 ADAAMO CC(C)[C@H]1C(=O)C[C@@H](C)C[N@H+]1C 4005475 571820733 /nfs/dbraw/zinc/82/07/33/571820733.db2.gz ALCOISCHVBFFNS-SCZZXKLOSA-N 1 1 169.268 1.552 50 0 ADAAMO CC(C)[C@H]1C(=O)C[C@@H](C)C[N@@H+]1C 4005475 571820736 /nfs/dbraw/zinc/82/07/36/571820736.db2.gz ALCOISCHVBFFNS-SCZZXKLOSA-N 1 1 169.268 1.552 50 0 ADAAMO CC(C)[C@@H]1C(=O)C[C@H](C)C[N@H+]1C 4005477 571821411 /nfs/dbraw/zinc/82/14/11/571821411.db2.gz ALCOISCHVBFFNS-WCBMZHEXSA-N 1 1 169.268 1.552 50 0 ADAAMO CC(C)[C@@H]1C(=O)C[C@H](C)C[N@@H+]1C 4005477 571821417 /nfs/dbraw/zinc/82/14/17/571821417.db2.gz ALCOISCHVBFFNS-WCBMZHEXSA-N 1 1 169.268 1.552 50 0 ADAAMO COC(=O)[C@]1(C)CCCCC[NH2+]1 196133332 571869298 /nfs/dbraw/zinc/86/92/98/571869298.db2.gz PKCYTZWZCRORJV-VIFPVBQESA-N 1 1 171.240 1.082 50 0 ADAAMO C[N@@H+]1Cc2ccc(CO)cc2C1 39081895 571883157 /nfs/dbraw/zinc/88/31/57/571883157.db2.gz YXTIRMSQZFHDIZ-UHFFFAOYSA-N 1 1 163.220 1.124 50 0 ADAAMO C[N@H+]1Cc2ccc(CO)cc2C1 39081895 571883159 /nfs/dbraw/zinc/88/31/59/571883159.db2.gz YXTIRMSQZFHDIZ-UHFFFAOYSA-N 1 1 163.220 1.124 50 0 ADAAMO CCC[N@@H+](C)C1CCN(C(C)=O)CC1 32547888 571908619 /nfs/dbraw/zinc/90/86/19/571908619.db2.gz MHKSOJHDDUCKHF-UHFFFAOYSA-N 1 1 198.310 1.339 50 0 ADAAMO Cc1cccc([C@@H](N)C[NH+](C)C)c1 41046859 571966863 /nfs/dbraw/zinc/96/68/63/571966863.db2.gz KAAXZKBUKUXPPK-NSHDSACASA-N 1 1 178.279 1.556 50 0 ADAAMO Cc1cccc([C@H](N)C[NH+](C)C)c1 41046858 571967871 /nfs/dbraw/zinc/96/78/71/571967871.db2.gz KAAXZKBUKUXPPK-LLVKDONJSA-N 1 1 178.279 1.556 50 0 ADAAMO Cc1[nH+]ccn1CC(F)(F)F 70162655 572646440 /nfs/dbraw/zinc/64/64/40/572646440.db2.gz IANIUNDOPNHQRV-UHFFFAOYSA-N 1 1 164.130 1.754 50 0 ADAAMO CCN[C@H]1CCCC[C@@H]1[NH2+]CC 116415677 572687623 /nfs/dbraw/zinc/68/76/23/572687623.db2.gz QQHMNKRUMYTFHL-UWVGGRQHSA-N 1 1 170.300 1.517 50 0 ADAAMO Cc1cccc(C(=[NH2+])NO)c1F 75848028 572904570 /nfs/dbraw/zinc/90/45/70/572904570.db2.gz ZNJFNUATBMXMTO-UHFFFAOYSA-N 1 1 168.171 1.438 50 0 ADAAMO CC(C)(C)OC(=O)[C@H]([NH3+])CCF 123670920 573125874 /nfs/dbraw/zinc/12/58/74/573125874.db2.gz OUMNWHCMKSTYMF-ZCFIWIBFSA-N 1 1 177.219 1.015 50 0 ADAAMO CN1Cc2ccc(C[NH3+])cc2C1 82632572 573141925 /nfs/dbraw/zinc/14/19/25/573141925.db2.gz JTFADFRGJAHKCZ-UHFFFAOYSA-N 1 1 162.236 1.091 50 0 ADAAMO Cc1cc(O)cc2[nH+]c[nH]c12 115747542 573214712 /nfs/dbraw/zinc/21/47/12/573214712.db2.gz LRMVFKSZUIFBRB-UHFFFAOYSA-N 1 1 148.165 1.577 50 0 ADAAMO C[C@H]1CCC(F)(F)C[NH2+]1 107262987 573456056 /nfs/dbraw/zinc/45/60/56/573456056.db2.gz OEHYRIXXINTFQA-YFKPBYRVSA-N 1 1 135.157 1.394 50 0 ADAAMO C[C@@H]1C[NH+](Cc2ccc[nH]2)C[C@@H](C)O1 23282137 573475995 /nfs/dbraw/zinc/47/59/95/573475995.db2.gz LTIWNBFJWLFXPY-NXEZZACHSA-N 1 1 194.278 1.624 50 0 ADAAMO C[C@H]1C[NH+](Cc2ccc[nH]2)C[C@H](C)O1 23282142 573476267 /nfs/dbraw/zinc/47/62/67/573476267.db2.gz LTIWNBFJWLFXPY-UWVGGRQHSA-N 1 1 194.278 1.624 50 0 ADAAMO C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H](C)O1 23282139 573476750 /nfs/dbraw/zinc/47/67/50/573476750.db2.gz LTIWNBFJWLFXPY-AOOOYVTPSA-N 1 1 194.278 1.624 50 0 ADAAMO C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H](C)O1 23282139 573476761 /nfs/dbraw/zinc/47/67/61/573476761.db2.gz LTIWNBFJWLFXPY-AOOOYVTPSA-N 1 1 194.278 1.624 50 0 ADAAMO Cc1cc(N)[nH+]cc1C(F)F 238456906 573601253 /nfs/dbraw/zinc/60/12/53/573601253.db2.gz MOPDNCNZUMCWMM-UHFFFAOYSA-N 1 1 158.151 1.910 50 0 ADAAMO Cc1cc(N)ncc1C1CC[NH2+]CC1 238456949 573601540 /nfs/dbraw/zinc/60/15/40/573601540.db2.gz RTFMPTIYXNPCEX-UHFFFAOYSA-N 1 1 191.278 1.439 50 0 ADAAMO N[C@@H]1CCC[NH2+][C@@H]1C1CCCCC1 84343823 573843262 /nfs/dbraw/zinc/84/32/62/573843262.db2.gz GFMSRLFQVPVUHZ-GHMZBOCLSA-N 1 1 182.311 1.646 50 0 ADAAMO Cc1c[nH+]c2c(c1)NCCN2C 87260588 573850564 /nfs/dbraw/zinc/85/05/64/573850564.db2.gz SISDPMYTCFHOOO-UHFFFAOYSA-N 1 1 163.224 1.252 50 0 ADAAMO c1cc2c(N3CCCC3)[nH+]cnc2[nH]1 6505274 486710727 /nfs/dbraw/zinc/71/07/27/486710727.db2.gz IWEVZVZLDUSNNB-UHFFFAOYSA-N 1 1 188.234 1.558 50 0 in-vitro ADAAMO CCC[N@@H+](C)CC(C)(C)CO 17666124 486712005 /nfs/dbraw/zinc/71/20/05/486712005.db2.gz WJLUJQYAHBNFAV-UHFFFAOYSA-N 1 1 159.273 1.347 50 0 ADAAMO CC(C)(C)c1coc(C[NH3+])n1 258430521 487134909 /nfs/dbraw/zinc/13/49/09/487134909.db2.gz CXAIOROYKSYADB-UHFFFAOYSA-N 1 1 154.213 1.431 50 0 ADAAMO CN1C[C@@]23CCCC[C@@]2(C[NH2+]C3)C1 757124058 582457634 /nfs/dbraw/zinc/45/76/34/582457634.db2.gz YKVXAFFLHSCSTB-PHIMTYICSA-N 1 1 180.295 1.082 50 0 ADAAMO COC(=O)[C@@]1(C)CCCCC[NH2+]1 196133324 582713278 /nfs/dbraw/zinc/71/32/78/582713278.db2.gz PKCYTZWZCRORJV-SECBINFHSA-N 1 1 171.240 1.082 50 0 ADAAMO CCCCn1c[nH+]c(N)c1 198875873 582714494 /nfs/dbraw/zinc/71/44/94/582714494.db2.gz VQINPQNMUFRIMD-UHFFFAOYSA-N 1 1 139.202 1.265 50 0 ADAAMO C[C@@H]1C[C@H](C2CCCCC2)[NH2+]C[C@H]1N 757211868 582950908 /nfs/dbraw/zinc/95/09/08/582950908.db2.gz KLEMZLQCOSMVMW-YUSALJHKSA-N 1 1 196.338 1.892 50 0 ADAAMO N[C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 757208848 582951103 /nfs/dbraw/zinc/95/11/03/582951103.db2.gz DZODFLCTGDHQGY-WDEREUQCSA-N 1 1 182.311 1.646 50 0 ADAAMO N[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 757208846 582951479 /nfs/dbraw/zinc/95/14/79/582951479.db2.gz DZODFLCTGDHQGY-QWRGUYRKSA-N 1 1 182.311 1.646 50 0 ADAAMO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)[C@@H]1N 757214763 582951638 /nfs/dbraw/zinc/95/16/38/582951638.db2.gz UEKRERPVWAFISZ-JLLWLGSASA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@@H](N)C1 757213235 582951973 /nfs/dbraw/zinc/95/19/73/582951973.db2.gz PKMPQTSWWDGCCP-DLOVCJGASA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1C1CCCCC1 757213832 582951996 /nfs/dbraw/zinc/95/19/96/582951996.db2.gz RDDGEYVVCMNENK-YUSALJHKSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)[C@H]1N 757214660 582952141 /nfs/dbraw/zinc/95/21/41/582952141.db2.gz UEKRERPVWAFISZ-ADEWGFFLSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@H](N)C1 757213236 582952152 /nfs/dbraw/zinc/95/21/52/582952152.db2.gz PKMPQTSWWDGCCP-MVWJERBFSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)[C@H]1N 757214831 582952162 /nfs/dbraw/zinc/95/21/62/582952162.db2.gz UEKRERPVWAFISZ-USWWRNFRSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@H](N)C1 757213237 582952167 /nfs/dbraw/zinc/95/21/67/582952167.db2.gz PKMPQTSWWDGCCP-WCQGTBRESA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1C1CCCCC1 757213827 582952179 /nfs/dbraw/zinc/95/21/79/582952179.db2.gz RDDGEYVVCMNENK-JLLWLGSASA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@@H](N)C1 757213238 582952211 /nfs/dbraw/zinc/95/22/11/582952211.db2.gz PKMPQTSWWDGCCP-ZMLRMANQSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1C1CCCCC1 757213829 582952353 /nfs/dbraw/zinc/95/23/53/582952353.db2.gz RDDGEYVVCMNENK-USWWRNFRSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1C[C@H](N)C[NH2+][C@H]1C1CCCCC1 757213825 582952473 /nfs/dbraw/zinc/95/24/73/582952473.db2.gz RDDGEYVVCMNENK-ADEWGFFLSA-N 1 1 196.338 1.892 50 0 ADAAMO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)[C@@H]1N 757214834 582952641 /nfs/dbraw/zinc/95/26/41/582952641.db2.gz UEKRERPVWAFISZ-YUSALJHKSA-N 1 1 196.338 1.892 50 0 ADAAMO N[C@@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757215649 582952900 /nfs/dbraw/zinc/95/29/00/582952900.db2.gz WNLISJRBPFNPTK-QWRGUYRKSA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757215644 582952915 /nfs/dbraw/zinc/95/29/15/582952915.db2.gz WNLISJRBPFNPTK-GHMZBOCLSA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757215650 582953025 /nfs/dbraw/zinc/95/30/25/582953025.db2.gz WNLISJRBPFNPTK-WDEREUQCSA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757215648 582953585 /nfs/dbraw/zinc/95/35/85/582953585.db2.gz WNLISJRBPFNPTK-MNOVXSKESA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@@H]1C[NH2+]CC[C@@H]1C1CCCCC1 214315601 583461616 /nfs/dbraw/zinc/46/16/16/583461616.db2.gz FILXCXWRYGLWJU-GHMZBOCLSA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@H]1C[NH2+]CC[C@@H]1C1CCCCC1 214315489 583461630 /nfs/dbraw/zinc/46/16/30/583461630.db2.gz FILXCXWRYGLWJU-MNOVXSKESA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@H]1C[NH2+]CC[C@H]1C1CCCCC1 214315431 583462293 /nfs/dbraw/zinc/46/22/93/583462293.db2.gz FILXCXWRYGLWJU-QWRGUYRKSA-N 1 1 182.311 1.504 50 0 ADAAMO N[C@@H]1C[NH2+]CC[C@H]1C1CCCCC1 214315542 583462369 /nfs/dbraw/zinc/46/23/69/583462369.db2.gz FILXCXWRYGLWJU-WDEREUQCSA-N 1 1 182.311 1.504 50 0 ADAAMO c1ccc2c(c1)CC[N@@H+](C1COC1)C2 827604346 583513517 /nfs/dbraw/zinc/51/35/17/583513517.db2.gz XZJARGSTBWGQQZ-UHFFFAOYSA-N 1 1 189.258 1.444 50 0 ADAAMO c1ccc2c(c1)CC[N@H+](C1COC1)C2 827604346 583513519 /nfs/dbraw/zinc/51/35/19/583513519.db2.gz XZJARGSTBWGQQZ-UHFFFAOYSA-N 1 1 189.258 1.444 50 0 ADAAMO CC1([NH+]2CCCC2)CCNCC1 141461912 490056886 /nfs/dbraw/zinc/05/68/86/490056886.db2.gz VLZSQQMKOKWEFT-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 ADAAMO CCCC[N@H+](C)C1CCNCC1 19427635 491020976 /nfs/dbraw/zinc/02/09/76/491020976.db2.gz HALSQPWSSSCPGH-UHFFFAOYSA-N 1 1 170.300 1.470 50 0 ADAAMO CCCC[N@@H+](C)C1CCNCC1 19427635 491020977 /nfs/dbraw/zinc/02/09/77/491020977.db2.gz HALSQPWSSSCPGH-UHFFFAOYSA-N 1 1 170.300 1.470 50 0 ADAAMO Cc1noc(C)c1[C@@H](C)[NH2+]CCF 87775364 491032140 /nfs/dbraw/zinc/03/21/40/491032140.db2.gz JSRACTCKZAILIQ-ZCFIWIBFSA-N 1 1 186.230 1.912 50 0 ADAAMO Cc1noc(C)c1[C@H](C)[NH2+]CCF 87775365 491032216 /nfs/dbraw/zinc/03/22/16/491032216.db2.gz JSRACTCKZAILIQ-LURJTMIESA-N 1 1 186.230 1.912 50 0 ADAAMO FCCC[N@H+]1CCc2c[nH]nc2C1 306446943 491051172 /nfs/dbraw/zinc/05/11/72/491051172.db2.gz SXCNYZAVFMXUPU-UHFFFAOYSA-N 1 1 183.230 1.127 50 0 ADAAMO FCCC[N@@H+]1CCc2cn[nH]c2C1 306446943 491051173 /nfs/dbraw/zinc/05/11/73/491051173.db2.gz SXCNYZAVFMXUPU-UHFFFAOYSA-N 1 1 183.230 1.127 50 0 ADAAMO FCCC[N@H+]1CCc2cn[nH]c2C1 306446943 491051176 /nfs/dbraw/zinc/05/11/76/491051176.db2.gz SXCNYZAVFMXUPU-UHFFFAOYSA-N 1 1 183.230 1.127 50 0 ADAAMO [NH2+]=C(NO)c1ccc(Cl)cc1F 144561279 697650827 /nfs/dbraw/zinc/65/08/27/697650827.db2.gz XDMMDVFFSUHAMV-UHFFFAOYSA-N 1 1 188.589 1.783 50 0 ADAAMO C[C@H]1CCC[C@H](CCN(C)C)[NH2+]1 307335169 325641034 /nfs/dbraw/zinc/64/10/34/325641034.db2.gz CFQFKQJQJSLRMN-VHSXEESVSA-N 1 1 170.300 1.469 50 0 ADAAMO CC1CCN(c2ccc(N)c[nH+]2)CC1 11757349 132182473 /nfs/dbraw/zinc/18/24/73/132182473.db2.gz HEVSOVFIHZLGNO-UHFFFAOYSA-N 1 1 191.278 1.900 50 0 ADAAMO C[C@H]1CCCN(c2ccc(N)c[nH+]2)C1 11568753 132182926 /nfs/dbraw/zinc/18/29/26/132182926.db2.gz LRGWVZOXEDFUGF-VIFPVBQESA-N 1 1 191.278 1.900 50 0 ADAAMO C[C@@H]1CCCN(c2ccc(N)c[nH+]2)C1 11568752 132182936 /nfs/dbraw/zinc/18/29/36/132182936.db2.gz LRGWVZOXEDFUGF-SECBINFHSA-N 1 1 191.278 1.900 50 0 ADAAMO Nc1ccc(N2CCCCC2)[nH+]c1 18217797 132183549 /nfs/dbraw/zinc/18/35/49/132183549.db2.gz WONYQZCHGNGJRW-UHFFFAOYSA-N 1 1 177.251 1.654 50 0 in-vitro ADAAMO CC1CCN(c2ccc(N)[nH+]c2)CC1 19868001 132184705 /nfs/dbraw/zinc/18/47/05/132184705.db2.gz RTXJEYGVDAMLMZ-UHFFFAOYSA-N 1 1 191.278 1.900 50 0 ADAAMO Nc1ccc(N2CCCCC2)c[nH+]1 19868173 132184820 /nfs/dbraw/zinc/18/48/20/132184820.db2.gz NEUQZUUDMLYGQM-UHFFFAOYSA-N 1 1 177.251 1.654 50 0 in-vitro ADAAMO Nc1ccc[nH+]c1N1CCCCC1 20317416 132185653 /nfs/dbraw/zinc/18/56/53/132185653.db2.gz SNRAPFORRCKQQR-UHFFFAOYSA-N 1 1 177.251 1.654 50 0 in-vitro ADAAMO C[C@@H]1CCCN(c2[nH+]cccc2N)C1 20317253 132185681 /nfs/dbraw/zinc/18/56/81/132185681.db2.gz MCBVTAPXPAXYFY-SECBINFHSA-N 1 1 191.278 1.900 50 0 ADAAMO C[C@H]1CCCN(c2[nH+]cccc2N)C1 20317258 132185755 /nfs/dbraw/zinc/18/57/55/132185755.db2.gz MCBVTAPXPAXYFY-VIFPVBQESA-N 1 1 191.278 1.900 50 0 ADAAMO CC1CCN(c2[nH+]cccc2N)CC1 20317268 132186044 /nfs/dbraw/zinc/18/60/44/132186044.db2.gz JNBHCONHFUNVNI-UHFFFAOYSA-N 1 1 191.278 1.900 50 0 ADAAMO Cc1cccc(N2CCOCC2)[nH+]1 34753431 132187915 /nfs/dbraw/zinc/18/79/15/132187915.db2.gz DACONEDXUXDOIE-UHFFFAOYSA-N 1 1 178.235 1.227 50 0 ADAAMO Cc1cc(N)c[nH+]c1N1CCCCC1 36241594 132189016 /nfs/dbraw/zinc/18/90/16/132189016.db2.gz WNTYQQYUVGDLEX-UHFFFAOYSA-N 1 1 191.278 1.963 50 0 in-vitro ADAAMO Cc1ccc[nH+]c1N1CCOCC1 38537540 132189023 /nfs/dbraw/zinc/18/90/23/132189023.db2.gz KUSLAWUUDVNSNN-UHFFFAOYSA-N 1 1 178.235 1.227 50 0 in-vitro ADAAMO Nc1cc(N2CCCCC2)nc[nH+]1 39233307 132190034 /nfs/dbraw/zinc/19/00/34/132190034.db2.gz REWATXPICITDGX-UHFFFAOYSA-N 1 1 178.239 1.049 50 0 ADAAMO Cc1cc[nH+]c(N2CCC[C@H](O)C2)c1 40434881 132190164 /nfs/dbraw/zinc/19/01/64/132190164.db2.gz SCTIQWGQWHMGBR-JTQLQIEISA-N 1 1 192.262 1.351 50 0 ADAAMO Cc1cc[nH+]c(N2CCC[C@@H](O)C2)c1 40434882 132190186 /nfs/dbraw/zinc/19/01/86/132190186.db2.gz SCTIQWGQWHMGBR-SNVBAGLBSA-N 1 1 192.262 1.351 50 0 ADAAMO Nc1cc[nH+]c(N2CCCCC2)n1 44263544 132191391 /nfs/dbraw/zinc/19/13/91/132191391.db2.gz QMJKLRYXIRRZIC-UHFFFAOYSA-N 1 1 178.239 1.049 50 0 ADAAMO CCN1CCNc2ccc[nH+]c21 45796009 132191514 /nfs/dbraw/zinc/19/15/14/132191514.db2.gz AIUPKCQWZMYGJZ-UHFFFAOYSA-N 1 1 163.224 1.333 50 0 ADAAMO c1cncc(C[NH2+]Cc2ccco2)c1 158749 342929741 /nfs/dbraw/zinc/92/97/41/342929741.db2.gz MZMZQNAMCDNTOE-UHFFFAOYSA-N 1 1 188.230 1.964 50 0 in-vitro ADAAMO CN1CCC([NH2+]Cc2ccco2)CC1 268581 342932439 /nfs/dbraw/zinc/93/24/39/342932439.db2.gz ZJRROMOOCRNAPK-UHFFFAOYSA-N 1 1 194.278 1.463 50 0 ADAAMO CCC[N@@H+](CCO)Cc1ccccn1 277688 342932860 /nfs/dbraw/zinc/93/28/60/342932860.db2.gz BGIUPARCNWPFCQ-UHFFFAOYSA-N 1 1 194.278 1.286 50 0 ADAAMO C[C@H]1CCC[N@@H+](C2CCNCC2)C1 299464 342933307 /nfs/dbraw/zinc/93/33/07/342933307.db2.gz HOMQMBUOTAUPAK-JTQLQIEISA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@H]1CCC[N@H+](C2CCNCC2)C1 299464 342933308 /nfs/dbraw/zinc/93/33/08/342933308.db2.gz HOMQMBUOTAUPAK-JTQLQIEISA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[N@@H+](CCO)Cc1ccccc1 389763 342936388 /nfs/dbraw/zinc/93/63/88/342936388.db2.gz WOUANPHGFPAJCA-UHFFFAOYSA-N 1 1 165.236 1.111 50 0 ADAAMO CCCc1[nH]cc[nH+]1 389830 342936407 /nfs/dbraw/zinc/93/64/07/342936407.db2.gz MKBBSFGKFMQPPC-UHFFFAOYSA-N 1 1 110.160 1.362 50 0 in-vitro ADAAMO CN(C)CCC[NH2+]C1CCCCC1 1842012 342964999 /nfs/dbraw/zinc/96/49/99/342964999.db2.gz NLJGWGDUZPHZQK-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 ADAAMO Cn1cccc1C[NH2+]CCC[NH+](C)C 2178158 342970792 /nfs/dbraw/zinc/97/07/92/342970792.db2.gz MVFOAPZCLSLCCK-UHFFFAOYSA-N 1 1 195.310 1.066 50 0 ADAAMO CN(C)CCC[NH2+]Cc1cccn1C 2178158 342970793 /nfs/dbraw/zinc/97/07/93/342970793.db2.gz MVFOAPZCLSLCCK-UHFFFAOYSA-N 1 1 195.310 1.066 50 0 ADAAMO C[N@@H+]1[C@H]2CCC[C@@H]1CC2 2504715 342972731 /nfs/dbraw/zinc/97/27/31/342972731.db2.gz XLRPYZSEQKXZAA-OCAPTIKFSA-N 1 1 125.215 1.633 50 0 in-vitro ADAAMO C[NH+](C)CC[C@H](N)c1ccccc1 2538808 342975399 /nfs/dbraw/zinc/97/53/99/342975399.db2.gz HSZKVKCMQAORSG-NSHDSACASA-N 1 1 178.279 1.638 50 0 in-vitro ADAAMO C[C@H]1C(=O)C[C@H](C(C)(C)C)C[N@@H+]1C 4343892 342991136 /nfs/dbraw/zinc/99/11/36/342991136.db2.gz XDPTWFUYZSATFF-IUCAKERBSA-N 1 1 183.295 1.942 50 0 ADAAMO C[n+]1cccc2cccc(O)c21 4812189 342996163 /nfs/dbraw/zinc/99/61/63/342996163.db2.gz BOYITWKGAJWSEJ-UHFFFAOYSA-O 1 1 160.196 1.370 50 0 ADAAMO C[C@H]1C[C@H]([NH+](C)C)[C@H](C)CN1C 4837127 342996510 /nfs/dbraw/zinc/99/65/10/342996510.db2.gz YTSOCSSFMLFCRS-UTLUCORTSA-N 1 1 170.300 1.277 50 0 ADAAMO C[C@H]1C(=O)C[C@@H](C(C)(C)C)C[N@H+]1C 4343895 342991034 /nfs/dbraw/zinc/99/10/34/342991034.db2.gz XDPTWFUYZSATFF-DTWKUNHWSA-N 1 1 183.295 1.942 50 0 ADAAMO C[C@H]1C(=O)C[C@@H](C(C)(C)C)C[N@@H+]1C 4343895 342991035 /nfs/dbraw/zinc/99/10/35/342991035.db2.gz XDPTWFUYZSATFF-DTWKUNHWSA-N 1 1 183.295 1.942 50 0 ADAAMO C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 4342553 342991064 /nfs/dbraw/zinc/99/10/64/342991064.db2.gz RITANGGXLSWSNG-BDAKNGLRSA-N 1 1 167.252 1.450 50 0 ADAAMO CC(C)[N@H+]1C[C@@H](C)C(=O)C[C@@H]1C 4343060 342991090 /nfs/dbraw/zinc/99/10/90/342991090.db2.gz ACIGJEVTDRNMEJ-BDAKNGLRSA-N 1 1 169.268 1.694 50 0 ADAAMO C[C@H]1C(=O)C[C@H](C(C)(C)C)C[N@H+]1C 4343892 342991135 /nfs/dbraw/zinc/99/11/35/342991135.db2.gz XDPTWFUYZSATFF-IUCAKERBSA-N 1 1 183.295 1.942 50 0 ADAAMO C[N@H+]1CC[C@H]2Nc3ccccc3[C@@H]2C1 4917919 342996907 /nfs/dbraw/zinc/99/69/07/342996907.db2.gz KDOLICPJGKZRKU-CMPLNLGQSA-N 1 1 188.274 1.900 50 0 ADAAMO Cc1cc(N)ccc1[NH+](C)C 5479622 343003490 /nfs/dbraw/zinc/00/34/90/343003490.db2.gz JHGFAGAHQPLGOQ-UHFFFAOYSA-N 1 1 150.225 1.643 50 0 in-vitro ADAAMO C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 5577283 343005187 /nfs/dbraw/zinc/00/51/87/343005187.db2.gz RITANGGXLSWSNG-RKDXNWHRSA-N 1 1 167.252 1.450 50 0 ADAAMO Cc1ccc2c(N)nc(N)[nH+]c2c1 5892584 343009101 /nfs/dbraw/zinc/00/91/01/343009101.db2.gz ZUDXJVZWJQHECN-UHFFFAOYSA-N 1 1 174.207 1.103 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1nc(-c2ccccn2)no1 6801304 343016437 /nfs/dbraw/zinc/01/64/37/343016437.db2.gz HYOVNPOQTSTAQV-LURJTMIESA-N 1 1 190.206 1.151 50 0 ADAAMO C[N@H+]1CC[C@@H](C(=O)c2cccnc2)C1 6734547 343016444 /nfs/dbraw/zinc/01/64/44/343016444.db2.gz ARYQLVJXQFGHLA-SNVBAGLBSA-N 1 1 190.246 1.216 50 0 in-vitro ADAAMO C[NH2+]CCCNCc1ccc(C)s1 8551022 343018753 /nfs/dbraw/zinc/01/87/53/343018753.db2.gz CKUWINZQJWYOHV-UHFFFAOYSA-N 1 1 198.335 1.756 50 0 ADAAMO Cc1cc(C)c2[nH+]c(N)[nH]c2c1 10381470 343022020 /nfs/dbraw/zinc/02/20/20/343022020.db2.gz RIBRJYQGDNOFEF-UHFFFAOYSA-N 1 1 161.208 1.762 50 0 ADAAMO CC(C)c1nnc([C@H](C)[NH3+])o1 11586036 343022994 /nfs/dbraw/zinc/02/29/94/343022994.db2.gz MMWQIUOZTOZYII-YFKPBYRVSA-N 1 1 155.201 1.213 50 0 ADAAMO CC(C)c1nnc([C@@H](C)[NH3+])o1 11586034 343022999 /nfs/dbraw/zinc/02/29/99/343022999.db2.gz MMWQIUOZTOZYII-RXMQYKEDSA-N 1 1 155.201 1.213 50 0 ADAAMO C[N@H+]1Cc2ccc(N)cc2C1 11731031 343023970 /nfs/dbraw/zinc/02/39/70/343023970.db2.gz QAJAXOPOSLBUDC-UHFFFAOYSA-N 1 1 148.209 1.214 50 0 in-vitro ADAAMO C[N@H+]1Cc2cccc(N)c2C1 11730923 343024072 /nfs/dbraw/zinc/02/40/72/343024072.db2.gz MZQCHOUSVHXNFI-UHFFFAOYSA-N 1 1 148.209 1.214 50 0 ADAAMO C[C@H]([NH3+])c1nc(-c2ccccc2)no1 8729103 343020329 /nfs/dbraw/zinc/02/03/29/343020329.db2.gz DTIGPHKXQOPZJJ-ZETCQYMHSA-N 1 1 189.218 1.756 50 0 ADAAMO CC(C)[N@H+]1Cc2cccc(N)c2C1 11730926 343024111 /nfs/dbraw/zinc/02/41/11/343024111.db2.gz APJPGQBMXQDZDA-UHFFFAOYSA-N 1 1 176.263 1.993 50 0 ADAAMO Cc1[nH+]ccn1-c1cc(Cl)ncn1 15021111 343041359 /nfs/dbraw/zinc/04/13/59/343041359.db2.gz KTZYOMJEOTYZAX-UHFFFAOYSA-N 1 1 194.625 1.624 50 0 ADAAMO Cc1cccc2nc(CC[NH3+])[nH]c12 19093444 343051061 /nfs/dbraw/zinc/05/10/61/343051061.db2.gz PTJNQXFUKMHXQI-UHFFFAOYSA-N 1 1 175.235 1.373 50 0 in-vitro ADAAMO C[C@H](N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 19257879 343051952 /nfs/dbraw/zinc/05/19/52/343051952.db2.gz JYXDJWHFBOONFW-AEJSXWLSSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO C[C@H]([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 19257879 343051953 /nfs/dbraw/zinc/05/19/53/343051953.db2.gz JYXDJWHFBOONFW-AEJSXWLSSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccc(N)cn1 19255453 343051966 /nfs/dbraw/zinc/05/19/66/343051966.db2.gz NYBXVLWEJWHENB-UHFFFAOYSA-N 1 1 174.207 1.158 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)N)C1 19257877 343051988 /nfs/dbraw/zinc/05/19/88/343051988.db2.gz JYXDJWHFBOONFW-KXUCPTDWSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)CN(C[C@@H](C)[NH3+])C1 19257877 343051989 /nfs/dbraw/zinc/05/19/89/343051989.db2.gz JYXDJWHFBOONFW-KXUCPTDWSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO CCC(CC)(C[NH3+])N(C)C 19437570 343055224 /nfs/dbraw/zinc/05/52/24/343055224.db2.gz QZJSRJSPQKNMCJ-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CC(C)[N@H+](C)C1CCNCC1 19432587 343055233 /nfs/dbraw/zinc/05/52/33/343055233.db2.gz GATDBLAWLPINOT-UHFFFAOYSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC(C)[N@@H+](C)C1CCNCC1 19432587 343055234 /nfs/dbraw/zinc/05/52/34/343055234.db2.gz GATDBLAWLPINOT-UHFFFAOYSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO C[NH+]1CCN(Cc2ccccc2)CC1 19536830 343057709 /nfs/dbraw/zinc/05/77/09/343057709.db2.gz MLJOKPBESJWYGL-UHFFFAOYSA-N 1 1 190.290 1.434 50 0 in-vivo ADAAMO C[C@H]1CC[C@@H]([N@@H+](C)CCN(C)C)C1 19642228 343057723 /nfs/dbraw/zinc/05/77/23/343057723.db2.gz DLTSRPPQOXORJH-WDEREUQCSA-N 1 1 184.327 1.668 50 0 ADAAMO CN1CC[NH+](Cc2ccsc2)CC1 19537670 343057689 /nfs/dbraw/zinc/05/76/89/343057689.db2.gz AFEHPXWGZUHAEW-UHFFFAOYSA-N 1 1 196.319 1.496 50 0 ADAAMO Cc1ccc(C[NH+]2CCOCC2)cc1 19634555 343057695 /nfs/dbraw/zinc/05/76/95/343057695.db2.gz JBZFWJJJLREXJO-UHFFFAOYSA-N 1 1 191.274 1.827 50 0 ADAAMO CCCN1C(=O)[C@H]([NH3+])c2ccccc21 19944019 343064890 /nfs/dbraw/zinc/06/48/90/343064890.db2.gz WPQIYZPDDXOIQR-SNVBAGLBSA-N 1 1 190.246 1.443 50 0 ADAAMO CC(C)Nc1ccc(N)c[nH+]1 19952789 343064934 /nfs/dbraw/zinc/06/49/34/343064934.db2.gz GIFWHQBUBNUEBY-UHFFFAOYSA-N 1 1 151.213 1.484 50 0 in-vitro ADAAMO CC(C)N(C[C@H](C)[NH3+])C(C)C 19957536 343064940 /nfs/dbraw/zinc/06/49/40/343064940.db2.gz BSDBAEGTTJDAJZ-VIFPVBQESA-N 1 1 158.289 1.452 50 0 ADAAMO CC(C)N(C[C@@H](C)[NH3+])C(C)C 19957531 343064943 /nfs/dbraw/zinc/06/49/43/343064943.db2.gz BSDBAEGTTJDAJZ-SECBINFHSA-N 1 1 158.289 1.452 50 0 ADAAMO CC(C)[N@H+]1CCCC[C@H]1CN 19843366 343062183 /nfs/dbraw/zinc/06/21/83/343062183.db2.gz DWJDCMNVRMEEBL-VIFPVBQESA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC(C)N1CCCC[C@H]1C[NH3+] 19843366 343062184 /nfs/dbraw/zinc/06/21/84/343062184.db2.gz DWJDCMNVRMEEBL-VIFPVBQESA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC(C)[N@H+]1CCCC[C@@H]1CN 19843365 343062191 /nfs/dbraw/zinc/06/21/91/343062191.db2.gz DWJDCMNVRMEEBL-SECBINFHSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC(C)N1CCCC[C@@H]1C[NH3+] 19843365 343062192 /nfs/dbraw/zinc/06/21/92/343062192.db2.gz DWJDCMNVRMEEBL-SECBINFHSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC(C)[C@H]([NH3+])c1nc(C2CC2)no1 20566989 343074397 /nfs/dbraw/zinc/07/43/97/343074397.db2.gz KESXVLAECMPEIH-ZETCQYMHSA-N 1 1 181.239 1.603 50 0 in-vitro ADAAMO CN(C)[C@H]1CCc2ccccc2[C@H]1[NH3+] 20260366 343070255 /nfs/dbraw/zinc/07/02/55/343070255.db2.gz HJAPAZGVMSKZEY-NWDGAFQWSA-N 1 1 190.290 1.563 50 0 in-vitro ADAAMO C[N@H+]1CC[C@@H](c2cccnc2)C1 22061534 343078459 /nfs/dbraw/zinc/07/84/59/343078459.db2.gz UEIZUEWXLJOVLD-SNVBAGLBSA-N 1 1 162.236 1.501 50 0 in-vitro ADAAMO C[C@H](NCC[NH+](C)C)c1ccncc1 22147157 343079779 /nfs/dbraw/zinc/07/97/79/343079779.db2.gz NJKLDKVSRPAXMJ-JTQLQIEISA-N 1 1 193.294 1.294 50 0 ADAAMO CC(C)[C@@H]([NH3+])c1nc(C2CC2)no1 20566988 343074419 /nfs/dbraw/zinc/07/44/19/343074419.db2.gz KESXVLAECMPEIH-SSDOTTSWSA-N 1 1 181.239 1.603 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1nc(C(C)(C)C)no1 21015602 343075252 /nfs/dbraw/zinc/07/52/52/343075252.db2.gz DPDGWAPICYFNTM-YFKPBYRVSA-N 1 1 169.228 1.387 50 0 in-vitro ADAAMO C[N@H+]1Cc2ccccc2C[C@H]1CO 32189049 343100231 /nfs/dbraw/zinc/10/02/31/343100231.db2.gz SWUVPLABKHJMQA-NSHDSACASA-N 1 1 177.247 1.035 50 0 ADAAMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C 32136232 343098112 /nfs/dbraw/zinc/09/81/12/343098112.db2.gz GEZXXWSGDCCGQM-JTQLQIEISA-N 1 1 199.294 1.811 50 0 ADAAMO CCc1ccc(N)[nH+]c1 33965991 343108685 /nfs/dbraw/zinc/10/86/85/343108685.db2.gz OQTNJLQWOVTCPV-UHFFFAOYSA-N 1 1 122.171 1.226 50 0 in-vitro ADAAMO Cc1ccc(C)c(C[NH2+]CCN)c1 32919756 343103913 /nfs/dbraw/zinc/10/39/13/343103913.db2.gz WDIGBKPGLDADBU-UHFFFAOYSA-N 1 1 178.279 1.352 50 0 ADAAMO CCCCC[C@@H]([NH3+])C(=O)OC 34260376 343114927 /nfs/dbraw/zinc/11/49/27/343114927.db2.gz NXLWJLAACOWDMK-SSDOTTSWSA-N 1 1 159.229 1.067 50 0 in-vitro ADAAMO C[N@@H+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 34632831 343124096 /nfs/dbraw/zinc/12/40/96/343124096.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 1 1 194.322 1.422 50 0 ADAAMO C[N@H+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 34632831 343124097 /nfs/dbraw/zinc/12/40/97/343124097.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 1 1 194.322 1.422 50 0 ADAAMO CC[C@@H]1CCC[N@@H+](CCO)C1 36170310 343141107 /nfs/dbraw/zinc/14/11/07/343141107.db2.gz FFDUYCRRUNOMCB-SECBINFHSA-N 1 1 157.257 1.101 50 0 ADAAMO Cc1nc2ccc(CC[NH3+])cc2[nH]1 36197688 343141712 /nfs/dbraw/zinc/14/17/12/343141712.db2.gz AHEACQPUGPABGN-UHFFFAOYSA-N 1 1 175.235 1.373 50 0 ADAAMO CCC[N@H+]1Cc2cccc(N)c2C1 36683605 343148058 /nfs/dbraw/zinc/14/80/58/343148058.db2.gz JBIZIGZHQMDVHR-UHFFFAOYSA-N 1 1 176.263 1.994 50 0 in-vitro ADAAMO CC(C)[NH2+]CC(F)F 36947893 343155820 /nfs/dbraw/zinc/15/58/20/343155820.db2.gz NPDLHGCLVACEGC-UHFFFAOYSA-N 1 1 123.146 1.250 50 0 in-vitro ADAAMO CCCCNCC[NH2+]CCCC 37102957 343159821 /nfs/dbraw/zinc/15/98/21/343159821.db2.gz YRGVKPIUZUOJSJ-UHFFFAOYSA-N 1 1 172.316 1.766 50 0 ADAAMO CCC[N@@H+](CC)C[C@@H](C)N 37094896 343159133 /nfs/dbraw/zinc/15/91/33/343159133.db2.gz CUAMIZAOSYSZIU-MRVPVSSYSA-N 1 1 144.262 1.066 50 0 in-vitro ADAAMO CCCN(CC)C[C@@H](C)[NH3+] 37094896 343159134 /nfs/dbraw/zinc/15/91/34/343159134.db2.gz CUAMIZAOSYSZIU-MRVPVSSYSA-N 1 1 144.262 1.066 50 0 in-vitro ADAAMO CCC(CC)[N@H+]1CC[C@@H](N)C1 37241695 343163875 /nfs/dbraw/zinc/16/38/75/343163875.db2.gz RZQCGPVZOABCIU-MRVPVSSYSA-N 1 1 156.273 1.208 50 0 ADAAMO CCc1c[nH]c(C)[nH+]1 38350002 343187779 /nfs/dbraw/zinc/18/77/79/343187779.db2.gz RIAHASMJDOMQER-UHFFFAOYSA-N 1 1 110.160 1.281 50 0 ADAAMO CC1CCN(CC(C)(C)[NH3+])CC1 38202270 343185713 /nfs/dbraw/zinc/18/57/13/343185713.db2.gz QPEKEBRFZHIMMX-UHFFFAOYSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO CC1CC[NH+](CC(C)(C)N)CC1 38202270 343185714 /nfs/dbraw/zinc/18/57/14/343185714.db2.gz QPEKEBRFZHIMMX-UHFFFAOYSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO Cc1cccc(C(=O)C[NH3+])c1 38880291 343191536 /nfs/dbraw/zinc/19/15/36/343191536.db2.gz OCHREGYEOMPRIT-UHFFFAOYSA-N 1 1 149.193 1.136 50 0 ADAAMO C[C@H]1CCC[N@@H+](CC(C)(C)N)C1 39958225 343214716 /nfs/dbraw/zinc/21/47/16/343214716.db2.gz UNXLSDHBHSJGNF-VIFPVBQESA-N 1 1 170.300 1.456 50 0 ADAAMO C[C@H]1CCCN(CC(C)(C)[NH3+])C1 39958225 343214717 /nfs/dbraw/zinc/21/47/17/343214717.db2.gz UNXLSDHBHSJGNF-VIFPVBQESA-N 1 1 170.300 1.456 50 0 ADAAMO CC1(C)C[N@@H+](C(C)(C)C)CCN1 41168378 343231085 /nfs/dbraw/zinc/23/10/85/343231085.db2.gz ROYGZKCBJURQPR-UHFFFAOYSA-N 1 1 170.300 1.469 50 0 in-vitro ADAAMO CC1(C)CN(C(C)(C)C)CC[NH2+]1 41168378 343231086 /nfs/dbraw/zinc/23/10/86/343231086.db2.gz ROYGZKCBJURQPR-UHFFFAOYSA-N 1 1 170.300 1.469 50 0 in-vitro ADAAMO CCc1ccc2c(c1)[C@H]([NH3+])C(=O)N2C 42105602 343237578 /nfs/dbraw/zinc/23/75/78/343237578.db2.gz RDMDXEIVHDAYNQ-JTQLQIEISA-N 1 1 190.246 1.225 50 0 in-vitro ADAAMO CCC(C)(C)[NH2+][C@H](C)C(=O)OC 43625923 343257029 /nfs/dbraw/zinc/25/70/29/343257029.db2.gz MHZJHULSAARRNF-SSDOTTSWSA-N 1 1 173.256 1.326 50 0 ADAAMO Cc1nc(N)cc(C2CC2)[nH+]1 44119214 343260605 /nfs/dbraw/zinc/26/06/05/343260605.db2.gz TXJQTGKSJVQERW-UHFFFAOYSA-N 1 1 149.197 1.245 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccnc(Cl)n1 51850440 343294655 /nfs/dbraw/zinc/29/46/55/343294655.db2.gz RQZNRBYJIXWZKG-UHFFFAOYSA-N 1 1 194.625 1.624 50 0 ADAAMO C[C@H]1CNCC[N@H+](C2CCC2)C1 52213797 343302299 /nfs/dbraw/zinc/30/22/99/343302299.db2.gz NWDAHVJVGDJIDT-VIFPVBQESA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO Cc1ccc(C(=O)C[NH3+])cc1 53278233 343313862 /nfs/dbraw/zinc/31/38/62/343313862.db2.gz FUFAHIJREMQVPV-UHFFFAOYSA-N 1 1 149.193 1.136 50 0 in-vitro ADAAMO C[N@H+]1CCc2nnc(Cl)cc2C1 54930928 343331133 /nfs/dbraw/zinc/33/11/33/343331133.db2.gz VQHJNKZJJQLGKM-UHFFFAOYSA-N 1 1 183.642 1.118 50 0 ADAAMO Cc1ccnc(NC[C@H]2CC[NH2+]C2)c1 57217716 343336099 /nfs/dbraw/zinc/33/60/99/343336099.db2.gz QVZYAVHAGLGAID-JTQLQIEISA-N 1 1 191.278 1.411 50 0 ADAAMO C[NH2+]CCCNCc1ccccc1 57362406 343337201 /nfs/dbraw/zinc/33/72/01/343337201.db2.gz NRVBOBHGAXKYOL-UHFFFAOYSA-N 1 1 178.279 1.386 50 0 ADAAMO Cc1noc(C[N@H+]2CCCC[C@@H]2C)n1 58193451 343338962 /nfs/dbraw/zinc/33/89/62/343338962.db2.gz IAIDHFTWQKQELQ-QMMMGPOBSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1noc(C[N@@H+]2CCCC[C@@H]2C)n1 58193451 343338963 /nfs/dbraw/zinc/33/89/63/343338963.db2.gz IAIDHFTWQKQELQ-QMMMGPOBSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1noc(C[NH+]2CCC(C)CC2)n1 58203462 343339201 /nfs/dbraw/zinc/33/92/01/343339201.db2.gz BJDVLLAWKYUNFB-UHFFFAOYSA-N 1 1 195.266 1.610 50 0 ADAAMO Cc1nnc(C[N@@H+]2CCC[C@H](C)C2)o1 62639403 343376672 /nfs/dbraw/zinc/37/66/72/343376672.db2.gz LGVUUSIKLGGINT-QMMMGPOBSA-N 1 1 195.266 1.610 50 0 ADAAMO Cc1nnc(C[N@H+]2CCC[C@@H](C)C2)o1 62639404 343376745 /nfs/dbraw/zinc/37/67/45/343376745.db2.gz LGVUUSIKLGGINT-MRVPVSSYSA-N 1 1 195.266 1.610 50 0 ADAAMO CC1(C)CCC[N@@H+]1C1CCNCC1 63067283 343400701 /nfs/dbraw/zinc/40/07/01/343400701.db2.gz ODCMEHOHAZOAHK-UHFFFAOYSA-N 1 1 182.311 1.613 50 0 ADAAMO CC1(C)CCC[N@H+]1C1CCNCC1 63067283 343400702 /nfs/dbraw/zinc/40/07/02/343400702.db2.gz ODCMEHOHAZOAHK-UHFFFAOYSA-N 1 1 182.311 1.613 50 0 ADAAMO CCc1cn[nH]c1C1CC[NH2+]CC1 67724318 343410836 /nfs/dbraw/zinc/41/08/36/343410836.db2.gz IXHYTVLKDQGAJT-UHFFFAOYSA-N 1 1 179.267 1.439 50 0 ADAAMO C[N@H+]1CCC[C@@H]1c1cc[nH]n1 72381246 343569908 /nfs/dbraw/zinc/56/99/08/343569908.db2.gz ZOTIXLBLJLFKBN-MRVPVSSYSA-N 1 1 151.213 1.176 50 0 ADAAMO C[N@@H+]1CCC[C@@H]1c1nccnc1Cl 72343820 343569927 /nfs/dbraw/zinc/56/99/27/343569927.db2.gz WXAVKCTVNBNXFM-SSDOTTSWSA-N 1 1 197.669 1.897 50 0 ADAAMO C[N@H+]1CCC[C@@H]1c1nccnc1Cl 72343820 343569928 /nfs/dbraw/zinc/56/99/28/343569928.db2.gz WXAVKCTVNBNXFM-SSDOTTSWSA-N 1 1 197.669 1.897 50 0 ADAAMO Cc1[nH+]ccn1-c1cccc(CO)c1 74938143 343575100 /nfs/dbraw/zinc/57/51/00/343575100.db2.gz KFGVBPICTGIJJP-UHFFFAOYSA-N 1 1 188.230 1.673 50 0 ADAAMO Cc1c[nH+]c2c(c1)NCCN2 74941778 343575114 /nfs/dbraw/zinc/57/51/14/343575114.db2.gz WGQVPTWRKMXGON-UHFFFAOYSA-N 1 1 149.197 1.227 50 0 in-vitro ADAAMO Cc1[nH]nc(C2CC[NH2+]CC2)c1C 82529585 343605930 /nfs/dbraw/zinc/60/59/30/343605930.db2.gz FGGWKRWDVQGZCR-UHFFFAOYSA-N 1 1 179.267 1.494 50 0 ADAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](O)C[C@H]1C 85409923 343644142 /nfs/dbraw/zinc/64/41/42/343644142.db2.gz LOJBMEUIYQOYTE-OPRDCNLKSA-N 1 1 171.284 1.486 50 0 ADAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](O)C[C@@H]1C 85409926 343644149 /nfs/dbraw/zinc/64/41/49/343644149.db2.gz LOJBMEUIYQOYTE-KXUCPTDWSA-N 1 1 171.284 1.486 50 0 ADAAMO C[C@H]1CCC[N@H+]([C@@H]2CCCNC2)C1 87876312 343665268 /nfs/dbraw/zinc/66/52/68/343665268.db2.gz CJWRVRINIMDENH-WDEREUQCSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO CCOCC[N@@H+](C)CCC[C@H](C)O 87978892 343665893 /nfs/dbraw/zinc/66/58/93/343665893.db2.gz OBTWAKVPPUKKDZ-JTQLQIEISA-N 1 1 189.299 1.116 50 0 ADAAMO CN1CC[N@@H+](C)Cc2ccc(N)cc21 90225745 343675174 /nfs/dbraw/zinc/67/51/74/343675174.db2.gz LIDJRDIFECEBQM-UHFFFAOYSA-N 1 1 191.278 1.150 50 0 in-vitro ADAAMO Cc1nc([C@@H]2CCCCC[NH2+]2)no1 95348367 343682923 /nfs/dbraw/zinc/68/29/23/343682923.db2.gz YONREVWIEOKSMK-QMMMGPOBSA-N 1 1 181.239 1.583 50 0 in-vitro ADAAMO CC1=CC(C)=N[C@H]2NC(=[NH2+])S[C@@H]12 95482126 343683878 /nfs/dbraw/zinc/68/38/78/343683878.db2.gz VNJJAKGNDNRZHB-BQBZGAKWSA-N 1 1 181.264 1.163 50 0 ADAAMO Cc1ccccc1[C@H]1CNCC[NH2+]1 95691638 343685507 /nfs/dbraw/zinc/68/55/07/343685507.db2.gz XAKNKYFHCKANSL-LLVKDONJSA-N 1 1 176.263 1.229 50 0 ADAAMO C[C@H]1CCCC[N@H+]1C1CCNCC1 96319819 343695962 /nfs/dbraw/zinc/69/59/62/343695962.db2.gz ZXUICRDVIUWNIY-JTQLQIEISA-N 1 1 182.311 1.613 50 0 in-vitro ADAAMO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1 101648199 343724963 /nfs/dbraw/zinc/72/49/63/343724963.db2.gz PLYRTYMUDUFVSL-ZJUUUORDSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1 101648199 343724964 /nfs/dbraw/zinc/72/49/64/343724964.db2.gz PLYRTYMUDUFVSL-ZJUUUORDSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCCC1=O 101640326 343724974 /nfs/dbraw/zinc/72/49/74/343724974.db2.gz WCSFWFSXBSMKMY-ZJUUUORDSA-N 1 1 181.279 1.840 50 0 in-vitro ADAAMO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1 101648196 343724981 /nfs/dbraw/zinc/72/49/81/343724981.db2.gz PLYRTYMUDUFVSL-UWVGGRQHSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1 101648196 343724982 /nfs/dbraw/zinc/72/49/82/343724982.db2.gz PLYRTYMUDUFVSL-UWVGGRQHSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC(C)N1C(=O)[C@@H]([NH3+])c2ccccc21 100478462 343717543 /nfs/dbraw/zinc/71/75/43/343717543.db2.gz HWMNKLHWQPICDO-JTQLQIEISA-N 1 1 190.246 1.441 50 0 ADAAMO CN1C(=O)[C@@H]([NH3+])c2cc(Cl)ccc21 100476410 343717568 /nfs/dbraw/zinc/71/75/68/343717568.db2.gz DUFDJMVCNFJXCZ-QMMMGPOBSA-N 1 1 196.637 1.316 50 0 ADAAMO C/C(=C\C[C@H](C)O)C[NH+]1CCOCC1 19877893 166051598 /nfs/dbraw/zinc/05/15/98/166051598.db2.gz KTWDFYADAJXZMB-LFJXOHPOSA-N 1 1 199.294 1.036 50 0 ADAAMO C/C(=C\C[C@@H](C)O)C[NH+]1CCOCC1 19877892 166051834 /nfs/dbraw/zinc/05/18/34/166051834.db2.gz KTWDFYADAJXZMB-JNZVDCKRSA-N 1 1 199.294 1.036 50 0 ADAAMO C/C=C(\C)C[N@@H+](CC)CCN(C)C 19642316 166058744 /nfs/dbraw/zinc/05/87/44/166058744.db2.gz IJIAURMZNPMBJW-IZZDOVSWSA-N 1 1 184.327 1.836 50 0 ADAAMO C/C=C(\C)CN(CC)CC[NH+](C)C 19642316 166058745 /nfs/dbraw/zinc/05/87/45/166058745.db2.gz IJIAURMZNPMBJW-IZZDOVSWSA-N 1 1 184.327 1.836 50 0 ADAAMO C/C=C(\C)C[N@H+]1CCCN(C)CC1 23550016 166059505 /nfs/dbraw/zinc/05/95/05/166059505.db2.gz BHNVQJIMPOWQKV-NYYWCZLTSA-N 1 1 182.311 1.590 50 0 ADAAMO C/C=C(\C)CN1CCC[N@H+](C)CC1 23550016 166059507 /nfs/dbraw/zinc/05/95/07/166059507.db2.gz BHNVQJIMPOWQKV-NYYWCZLTSA-N 1 1 182.311 1.590 50 0 ADAAMO C/C=C(\C)CN1CCC[N@@H+](C)CC1 23550016 166059508 /nfs/dbraw/zinc/05/95/08/166059508.db2.gz BHNVQJIMPOWQKV-NYYWCZLTSA-N 1 1 182.311 1.590 50 0 ADAAMO C/C=C(\C)C[N@H+](C)CCN(C)C 19642300 166059581 /nfs/dbraw/zinc/05/95/81/166059581.db2.gz ZTGONZTZFISPMO-UXBLZVDNSA-N 1 1 170.300 1.446 50 0 ADAAMO C/C=C(\C)C[N@@H+](C)CCN(C)C 19642300 166059582 /nfs/dbraw/zinc/05/95/82/166059582.db2.gz ZTGONZTZFISPMO-UXBLZVDNSA-N 1 1 170.300 1.446 50 0 ADAAMO C/C=C(\C)C[N@H+]1CCC[C@@H](O)C1 23550017 166059589 /nfs/dbraw/zinc/05/95/89/166059589.db2.gz JRPNTMACYCMZSW-OTVCUZDGSA-N 1 1 169.268 1.409 50 0 ADAAMO C/C=C(\C)CN1CC[NH+](CC)CC1 22586936 166059648 /nfs/dbraw/zinc/05/96/48/166059648.db2.gz ZVNSMJWDRUXHOX-NYYWCZLTSA-N 1 1 182.311 1.590 50 0 ADAAMO C/C=C(\C)CN1CC[NH+](C)CC1 19642296 166059662 /nfs/dbraw/zinc/05/96/62/166059662.db2.gz ARPHXMDMCOJJRJ-ONNFQVAWSA-N 1 1 168.284 1.200 50 0 ADAAMO C/C=C(\C)C[NH+]1CCN(C(C)=O)CC1 23281818 166060045 /nfs/dbraw/zinc/06/00/45/166060045.db2.gz XSXUTVWZTNHIBH-ONNFQVAWSA-N 1 1 196.294 1.117 50 0 ADAAMO C/C=C(\C)C[N@H+]1CCC[C@H](O)C1 23550018 166060210 /nfs/dbraw/zinc/06/02/10/166060210.db2.gz JRPNTMACYCMZSW-RZCNENHTSA-N 1 1 169.268 1.409 50 0 ADAAMO C1=CC[C@H](CN2CC[NH2+]CC2)CC1 19735211 166075366 /nfs/dbraw/zinc/07/53/66/166075366.db2.gz KAICLKLVRUKYRD-NSHDSACASA-N 1 1 180.295 1.248 50 0 ADAAMO C1=CC[C@@H](CN2CC[NH2+]CC2)CC1 19735212 166076609 /nfs/dbraw/zinc/07/66/09/166076609.db2.gz KAICLKLVRUKYRD-LLVKDONJSA-N 1 1 180.295 1.248 50 0 ADAAMO C1CC(C[N@H+]2CCCNCC2)C1 49660604 166083476 /nfs/dbraw/zinc/08/34/76/166083476.db2.gz NTYQWWCWQFLXPD-UHFFFAOYSA-N 1 1 168.284 1.082 50 0 ADAAMO C1CC(CN2CCC[NH2+]CC2)C1 49660604 166083477 /nfs/dbraw/zinc/08/34/77/166083477.db2.gz NTYQWWCWQFLXPD-UHFFFAOYSA-N 1 1 168.284 1.082 50 0 ADAAMO C1CC(c2nc(C3CC3)n[nH]2)CC[NH2+]1 41058743 166085261 /nfs/dbraw/zinc/08/52/61/166085261.db2.gz VUSGWKQMYKIPCN-UHFFFAOYSA-N 1 1 192.266 1.149 50 0 in-vitro ADAAMO C1CC(c2n[nH]c(C3CC3)n2)CC[NH2+]1 41058743 166085264 /nfs/dbraw/zinc/08/52/64/166085264.db2.gz VUSGWKQMYKIPCN-UHFFFAOYSA-N 1 1 192.266 1.149 50 0 in-vitro ADAAMO C1CCC(CN2CC[NH2+]CC2)CC1 19513937 166086950 /nfs/dbraw/zinc/08/69/50/166086950.db2.gz LRPGNFROBDUREU-UHFFFAOYSA-N 1 1 182.311 1.472 50 0 ADAAMO C1CCC(CN2CC[NH2+]CC2)C1 19823283 166086984 /nfs/dbraw/zinc/08/69/84/166086984.db2.gz HDSJFNAPZZCQAT-UHFFFAOYSA-N 1 1 168.284 1.082 50 0 in-vitro ADAAMO C1CCC([N@H+]2CCCNCC2)CC1 32445479 166087017 /nfs/dbraw/zinc/08/70/17/166087017.db2.gz YZRJEERFPFFTLP-UHFFFAOYSA-N 1 1 182.311 1.614 50 0 in-vitro ADAAMO C1CCC(CC[NH+]2CCNCC2)CC1 22026806 166087056 /nfs/dbraw/zinc/08/70/56/166087056.db2.gz GMQBFYMARPSPAF-UHFFFAOYSA-N 1 1 196.338 1.862 50 0 ADAAMO C1CCC([N@H+]2CCCNCC2)C1 23093606 166087147 /nfs/dbraw/zinc/08/71/47/166087147.db2.gz DPTJLUGTAUOTFU-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C1CCC(N2CCC[NH2+]CC2)C1 23093606 166087149 /nfs/dbraw/zinc/08/71/49/166087149.db2.gz DPTJLUGTAUOTFU-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C1CCC(N2CC[NH2+]CC2)CC1 19363539 166087217 /nfs/dbraw/zinc/08/72/17/166087217.db2.gz XPDSXKIDJNKIQY-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C1CCC(C[N@H+]2CCCNCC2)CC1 19485665 166087341 /nfs/dbraw/zinc/08/73/41/166087341.db2.gz MBOYHABMLRNQHS-UHFFFAOYSA-N 1 1 196.338 1.862 50 0 ADAAMO C1CCC(CN2CCC[NH2+]CC2)CC1 19485665 166087343 /nfs/dbraw/zinc/08/73/43/166087343.db2.gz MBOYHABMLRNQHS-UHFFFAOYSA-N 1 1 196.338 1.862 50 0 ADAAMO C1CCC(CCC[NH+]2CCNCC2)C1 19850298 166087926 /nfs/dbraw/zinc/08/79/26/166087926.db2.gz IGNHQGIPGGJAAC-UHFFFAOYSA-N 1 1 196.338 1.862 50 0 ADAAMO C1CCCC([NH2+]N2CCOCC2)CC1 19169886 166088845 /nfs/dbraw/zinc/08/88/45/166088845.db2.gz BYAFCDKSOHHWHZ-UHFFFAOYSA-N 1 1 198.310 1.546 50 0 ADAAMO C1CCC[NH+]([C@@H]2CCCNC2)CC1 37246851 166088849 /nfs/dbraw/zinc/08/88/49/166088849.db2.gz AHEPPPZEXARNCA-LLVKDONJSA-N 1 1 182.311 1.614 50 0 ADAAMO C1CCC(c2nnc3n2CC[NH2+]C3)C1 53709709 166088938 /nfs/dbraw/zinc/08/89/38/166088938.db2.gz GRUYWRRKXBOGDW-UHFFFAOYSA-N 1 1 192.266 1.039 50 0 in-vitro ADAAMO C1CCC[NH+](C2CCNCC2)CC1 299486 166089499 /nfs/dbraw/zinc/08/94/99/166089499.db2.gz YEXWRRMPRFUMJW-UHFFFAOYSA-N 1 1 182.311 1.614 50 0 in-vitro ADAAMO C1CCCN(CC[NH+]2CCCC2)CC1 41207425 166090120 /nfs/dbraw/zinc/09/01/20/166090120.db2.gz XTFLNVGPTUIDNP-UHFFFAOYSA-N 1 1 196.338 1.958 50 0 ADAAMO C1CCCC(N2CC[NH2+]CC2)CC1 19735216 166090196 /nfs/dbraw/zinc/09/01/96/166090196.db2.gz CHSINHUYLALJPT-UHFFFAOYSA-N 1 1 182.311 1.614 50 0 in-vitro ADAAMO C1CC[NH+](C2CCNCC2)CC1 388302 166090802 /nfs/dbraw/zinc/09/08/02/166090802.db2.gz QDVBKXJMLILLLB-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vivo ADAAMO C1CC[C@@H]([C@@H]2CCCC[NH2+]2)NC1 91307021 166090917 /nfs/dbraw/zinc/09/09/17/166090917.db2.gz CLBJZAWCBRAMRZ-UWVGGRQHSA-N 1 1 168.284 1.271 50 0 in-vitro ADAAMO C1CCN2C[C@@H]3C[NH2+]C[C@@H](C3)[C@@H]2C1 32251827 166091152 /nfs/dbraw/zinc/09/11/52/166091152.db2.gz XJIDULRGKIKAHC-AXFHLTTASA-N 1 1 180.295 1.080 50 0 ADAAMO C1CC[C@@H](N2CCCC2)C[NH2+]C1 19947673 166091160 /nfs/dbraw/zinc/09/11/60/166091160.db2.gz WAEIGZMDLGOBLR-SNVBAGLBSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C1CCN(C2=[NH+]CCS2)CC1 172809 166091237 /nfs/dbraw/zinc/09/12/37/166091237.db2.gz CYTVJMKDTUSULK-UHFFFAOYSA-N 1 1 170.281 1.575 50 0 ADAAMO C1CC[C@@H]([C@H]2CCCC[NH2+]2)NC1 21302758 166091311 /nfs/dbraw/zinc/09/13/11/166091311.db2.gz CLBJZAWCBRAMRZ-AOOOYVTPSA-N 1 1 168.284 1.271 50 0 in-vitro ADAAMO C1CC[C@H]([C@@H]2CCCC[NH2+]2)NC1 21302758 166091313 /nfs/dbraw/zinc/09/13/13/166091313.db2.gz CLBJZAWCBRAMRZ-AOOOYVTPSA-N 1 1 168.284 1.271 50 0 in-vitro ADAAMO C1CC[N@H+]2CCC[C@H]2C1 2019562 166091838 /nfs/dbraw/zinc/09/18/38/166091838.db2.gz HAJKHJOABGFIGP-MRVPVSSYSA-N 1 1 125.215 1.635 50 0 in-vitro ADAAMO C1CC[N@@H+]2COCC[C@H]2C1 14628878 166092038 /nfs/dbraw/zinc/09/20/38/166092038.db2.gz QNXMMEGQRQOPEF-MRVPVSSYSA-N 1 1 141.214 1.219 50 0 in-vitro ADAAMO C1CC[N@H+]2COCC[C@H]2C1 14628878 166092039 /nfs/dbraw/zinc/09/20/39/166092039.db2.gz QNXMMEGQRQOPEF-MRVPVSSYSA-N 1 1 141.214 1.219 50 0 in-vitro ADAAMO C1CCC[NH+]([C@H]2CCCNC2)CC1 37246854 166092329 /nfs/dbraw/zinc/09/23/29/166092329.db2.gz AHEPPPZEXARNCA-NSHDSACASA-N 1 1 182.311 1.614 50 0 ADAAMO C1CC[N@@H+]2COCC[C@@H]2C1 14628876 166092856 /nfs/dbraw/zinc/09/28/56/166092856.db2.gz QNXMMEGQRQOPEF-QMMMGPOBSA-N 1 1 141.214 1.219 50 0 in-vitro ADAAMO C1CC[N@H+]2COCC[C@@H]2C1 14628876 166092858 /nfs/dbraw/zinc/09/28/58/166092858.db2.gz QNXMMEGQRQOPEF-QMMMGPOBSA-N 1 1 141.214 1.219 50 0 in-vitro ADAAMO C1CC[N@H+]2CCC[C@@H]2C1 2019563 166092926 /nfs/dbraw/zinc/09/29/26/166092926.db2.gz HAJKHJOABGFIGP-QMMMGPOBSA-N 1 1 125.215 1.635 50 0 in-vitro ADAAMO C1CC[C@@H](c2nc(C3CC3)no2)[NH2+]C1 21517398 166093424 /nfs/dbraw/zinc/09/34/24/166093424.db2.gz NZOMFTGELQXRLY-QMMMGPOBSA-N 1 1 193.250 1.762 50 0 in-vitro ADAAMO C1CC[C@@H]2NCCC[N@@H+]2CC1 19320247 166093518 /nfs/dbraw/zinc/09/35/18/166093518.db2.gz RWENYVRYDPMMRO-SECBINFHSA-N 1 1 154.257 1.182 50 0 ADAAMO C1CC[C@@H]2[NH2+]CCCN2CC1 19320247 166093521 /nfs/dbraw/zinc/09/35/21/166093521.db2.gz RWENYVRYDPMMRO-SECBINFHSA-N 1 1 154.257 1.182 50 0 ADAAMO C1CC[C@H](c2nnc(C3CC3)o2)[NH2+]C1 83279056 166093863 /nfs/dbraw/zinc/09/38/63/166093863.db2.gz QUNGTYAHBKXOMN-MRVPVSSYSA-N 1 1 193.250 1.762 50 0 ADAAMO C1CC[C@H](N2CCCC2)C[NH2+]C1 19947678 166094429 /nfs/dbraw/zinc/09/44/29/166094429.db2.gz WAEIGZMDLGOBLR-JTQLQIEISA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C1CC[C@H]2NCCC[N@@H+]2CC1 19320245 166094466 /nfs/dbraw/zinc/09/44/66/166094466.db2.gz RWENYVRYDPMMRO-VIFPVBQESA-N 1 1 154.257 1.182 50 0 ADAAMO C1CC[C@H]2[NH2+]CCCN2CC1 19320245 166094470 /nfs/dbraw/zinc/09/44/70/166094470.db2.gz RWENYVRYDPMMRO-VIFPVBQESA-N 1 1 154.257 1.182 50 0 ADAAMO C1CC[C@@H](c2nnc(C3CC3)o2)[NH2+]C1 83279055 166094808 /nfs/dbraw/zinc/09/48/08/166094808.db2.gz QUNGTYAHBKXOMN-QMMMGPOBSA-N 1 1 193.250 1.762 50 0 ADAAMO C1CC[C@H](c2nc(C3CC3)no2)[NH2+]C1 21517399 166094984 /nfs/dbraw/zinc/09/49/84/166094984.db2.gz NZOMFTGELQXRLY-MRVPVSSYSA-N 1 1 193.250 1.762 50 0 in-vitro ADAAMO C1CC[C@H]([C@H]2CCCC[NH2+]2)NC1 91307023 166095098 /nfs/dbraw/zinc/09/50/98/166095098.db2.gz CLBJZAWCBRAMRZ-NXEZZACHSA-N 1 1 168.284 1.271 50 0 in-vitro ADAAMO C1C[NH2+]C[C@H](c2nc(C3CC3)n[nH]2)C1 41058755 166097326 /nfs/dbraw/zinc/09/73/26/166097326.db2.gz ZCUSQAMYBYWEDZ-MRVPVSSYSA-N 1 1 192.266 1.149 50 0 in-vitro ADAAMO C1=[NH+]Cc2ccccc2N1 5517570 166082260 /nfs/dbraw/zinc/08/22/60/166082260.db2.gz LGACUMPRRMLUFZ-UHFFFAOYSA-N 1 1 132.166 1.640 50 0 ADAAMO C=Cn1cc[nH+]c1C 394845 166224784 /nfs/dbraw/zinc/22/47/84/166224784.db2.gz BDHGFCVQWMDIQX-UHFFFAOYSA-N 1 1 108.144 1.292 50 0 in-vitro ADAAMO CC(=O)CC[N@H+](C)C(C)C 20439839 166242678 /nfs/dbraw/zinc/24/26/78/166242678.db2.gz JRSKFKZAKLAAMS-UHFFFAOYSA-N 1 1 143.230 1.306 50 0 in-vitro ADAAMO CC(=O)CCn1cc[nH+]c1C 20439847 166244193 /nfs/dbraw/zinc/24/41/93/166244193.db2.gz MRJRDSXSZGRGPA-UHFFFAOYSA-N 1 1 152.197 1.171 50 0 in-vitro ADAAMO CC(=O)C[N@@H+]1CCC[C@@H](C)C1 19091915 166244410 /nfs/dbraw/zinc/24/44/10/166244410.db2.gz AIGVNAXQRMSJGZ-MRVPVSSYSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CC(=O)C[N@@H+]1CCCC[C@@H]1C 5675875 166244485 /nfs/dbraw/zinc/24/44/85/166244485.db2.gz TVZDMAGYOIZJFB-QMMMGPOBSA-N 1 1 155.241 1.450 50 0 in-vitro ADAAMO CC(=O)C[N@@H+]1CCC[C@H](C)C1 19091920 166244992 /nfs/dbraw/zinc/24/49/92/166244992.db2.gz AIGVNAXQRMSJGZ-QMMMGPOBSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CC(=O)C[N@@H+]1CCCC[C@H]1C 5672481 166245320 /nfs/dbraw/zinc/24/53/20/166245320.db2.gz TVZDMAGYOIZJFB-MRVPVSSYSA-N 1 1 155.241 1.450 50 0 in-vitro ADAAMO CC(=O)C[C@H]1CCCC[N@@H+]1C 1530366 166247161 /nfs/dbraw/zinc/24/71/61/166247161.db2.gz TYHJMEIBGDDCPA-SECBINFHSA-N 1 1 155.241 1.450 50 0 endogenous,in-man ADAAMO CC(=O)Cn1c[nH+]c(C)c1C 51927334 166250184 /nfs/dbraw/zinc/25/01/84/166250184.db2.gz GEJVQNWNPGFNFX-UHFFFAOYSA-N 1 1 152.197 1.089 50 0 in-vitro ADAAMO CC(=O)N1CC[NH+](CC=C(C)C)CC1 72291049 166262647 /nfs/dbraw/zinc/26/26/47/166262647.db2.gz XYUFDMZNJHMSTR-UHFFFAOYSA-N 1 1 196.294 1.117 50 0 ADAAMO CC(=O)N1C[NH2+][C@@H](c2ccccc2)C1 215765653 166266139 /nfs/dbraw/zinc/26/61/39/166266139.db2.gz HWYDNZSBNKTDGH-LLVKDONJSA-N 1 1 190.246 1.137 50 0 ADAAMO CC(=O)N1C[NH2+][C@H](c2ccccc2)C1 215765694 166267120 /nfs/dbraw/zinc/26/71/20/166267120.db2.gz HWYDNZSBNKTDGH-NSHDSACASA-N 1 1 190.246 1.137 50 0 ADAAMO CC(=O)[C@@H]([NH3+])c1ccccc1 165130 166299441 /nfs/dbraw/zinc/29/94/41/166299441.db2.gz FSTYOUCNSTZVDF-SECBINFHSA-N 1 1 149.193 1.275 50 0 ADAAMO CC(=O)[C@H]([NH3+])c1ccccc1 165129 166309667 /nfs/dbraw/zinc/30/96/67/166309667.db2.gz FSTYOUCNSTZVDF-VIFPVBQESA-N 1 1 149.193 1.275 50 0 ADAAMO CC(C)(C)CCN1CC[NH2+]CC1 36379782 166350865 /nfs/dbraw/zinc/35/08/65/166350865.db2.gz LFDFICUWQKREJW-UHFFFAOYSA-N 1 1 170.300 1.328 50 0 in-vitro ADAAMO CC(C)(C)CC[C@@H]([NH3+])c1nc[nH]n1 83746155 166351020 /nfs/dbraw/zinc/35/10/20/166351020.db2.gz PXVPFZYLGGUSMK-SSDOTTSWSA-N 1 1 182.271 1.631 50 0 ADAAMO CC(C)(C)CC[C@H]([NH3+])c1nc[nH]n1 83746154 166351821 /nfs/dbraw/zinc/35/18/21/166351821.db2.gz PXVPFZYLGGUSMK-ZETCQYMHSA-N 1 1 182.271 1.631 50 0 ADAAMO CC(C)(C)C[N@H+]1CC[C@H](N)C1 40494667 166352095 /nfs/dbraw/zinc/35/20/95/166352095.db2.gz YRQXDWWQIUUJOO-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 ADAAMO CC(C)(C)CN1CC[C@H]([NH3+])C1 40494667 166352103 /nfs/dbraw/zinc/35/21/03/166352103.db2.gz YRQXDWWQIUUJOO-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 ADAAMO CC(C)(C)CN1CCC([NH3+])CC1 11729459 166352224 /nfs/dbraw/zinc/35/22/24/166352224.db2.gz BJOFVKOYOSXKPD-UHFFFAOYSA-N 1 1 170.300 1.456 50 0 ADAAMO CC(C)(C)C[N@H+]1CC[C@@H](N)C1 40494668 166352328 /nfs/dbraw/zinc/35/23/28/166352328.db2.gz YRQXDWWQIUUJOO-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 ADAAMO CC(C)(C)CN1CC[C@@H]([NH3+])C1 40494668 166352338 /nfs/dbraw/zinc/35/23/38/166352338.db2.gz YRQXDWWQIUUJOO-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 ADAAMO CC(C)(C)C[NH2+]Cc1c[nH]cn1 54765151 166353221 /nfs/dbraw/zinc/35/32/21/166353221.db2.gz USODBAPCNBXPQP-UHFFFAOYSA-N 1 1 167.256 1.545 50 0 ADAAMO CC(C)(C)[N@H+]1CC[C@H](CO)C1 11892718 166359274 /nfs/dbraw/zinc/35/92/74/166359274.db2.gz XLGPTFIQKDNBAY-QMMMGPOBSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO CC(C)(C)[N@@H+]1CCC(=O)C1 37239796 166360037 /nfs/dbraw/zinc/36/00/37/166360037.db2.gz SNKKECKMICVNPV-UHFFFAOYSA-N 1 1 141.214 1.060 50 0 ADAAMO CC(C)(C)[N@H+]1CCC(=O)C1 37239796 166360039 /nfs/dbraw/zinc/36/00/39/166360039.db2.gz SNKKECKMICVNPV-UHFFFAOYSA-N 1 1 141.214 1.060 50 0 ADAAMO CC(C)(C)[N@H+]1CC[C@@H](CO)C1 11892714 166360100 /nfs/dbraw/zinc/36/01/00/166360100.db2.gz XLGPTFIQKDNBAY-MRVPVSSYSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO CC(C)(C)[N@H+]1CCCNCC1 39947591 166360604 /nfs/dbraw/zinc/36/06/04/166360604.db2.gz NFTNAOZWHAOMPK-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CC(C)(C)N1CCC[NH2+]CC1 39947591 166360607 /nfs/dbraw/zinc/36/06/07/166360607.db2.gz NFTNAOZWHAOMPK-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CC(C)(C)NCC[NH2+]C(C)(C)C 38202289 166365494 /nfs/dbraw/zinc/36/54/94/166365494.db2.gz KGHYGBGIWLNFAV-UHFFFAOYSA-N 1 1 172.316 1.763 50 0 in-vitro ADAAMO CC(C)(C)OC(=O)N1CCC[NH2+]C1 90635874 166367415 /nfs/dbraw/zinc/36/74/15/166367415.db2.gz DSAFUUFVQNUZMS-UHFFFAOYSA-N 1 1 186.255 1.174 50 0 in-vitro ADAAMO CC(C)(C)OC(=O)C[NH2+]C1CCCC1 37394061 166368734 /nfs/dbraw/zinc/36/87/34/166368734.db2.gz AJWUSVUOAIUDGZ-UHFFFAOYSA-N 1 1 199.294 1.860 50 0 ADAAMO CC(C)(C)Nc1[nH+]cccc1N 20278610 166369367 /nfs/dbraw/zinc/36/93/67/166369367.db2.gz WUQUFHSXTHOLBP-UHFFFAOYSA-N 1 1 165.240 1.874 50 0 ADAAMO CC(C)(C)OC(=O)[C@H]([NH3+])C(C)(C)C 13351718 166370152 /nfs/dbraw/zinc/37/01/52/166370152.db2.gz IGZORTGLYQDNMF-ZETCQYMHSA-N 1 1 187.283 1.702 50 0 ADAAMO CC(C)(C)OC(=O)[C@@H]([NH3+])C(C)(C)C 13351714 166371046 /nfs/dbraw/zinc/37/10/46/166371046.db2.gz IGZORTGLYQDNMF-SSDOTTSWSA-N 1 1 187.283 1.702 50 0 in-vitro ADAAMO CC(C)(C)c1ccc(N)[nH+]c1 44120560 166382809 /nfs/dbraw/zinc/38/28/09/166382809.db2.gz MKEUSJZGHJDRHG-UHFFFAOYSA-N 1 1 150.225 1.961 50 0 in-vitro ADAAMO CC(C)(C)c1cnc(C[NH3+])o1 26443922 166386817 /nfs/dbraw/zinc/38/68/17/166386817.db2.gz ODVOZCUBBYONLR-UHFFFAOYSA-N 1 1 154.213 1.431 50 0 in-vitro ADAAMO CC(C)(C)c1cccc(N)[nH+]1 34070853 166387397 /nfs/dbraw/zinc/38/73/97/166387397.db2.gz LQHCLLPVVSLNCZ-UHFFFAOYSA-N 1 1 150.225 1.961 50 0 in-vitro ADAAMO CC(C)(C)c1nnc(C[NH3+])s1 58518473 166388639 /nfs/dbraw/zinc/38/86/39/166388639.db2.gz HKLPSVWLVHARLA-UHFFFAOYSA-N 1 1 171.269 1.294 50 0 in-vitro ADAAMO CC(C)(C)c1[nH]cc[nH+]1 13220227 166389717 /nfs/dbraw/zinc/38/97/17/166389717.db2.gz CTUNHIMNHSKDBN-UHFFFAOYSA-N 1 1 124.187 1.707 50 0 in-vitro ADAAMO CC(C)(CN)C[NH+]1CCCC1 14628962 166393634 /nfs/dbraw/zinc/39/36/34/166393634.db2.gz XETCAGQZWBVYMH-UHFFFAOYSA-N 1 1 156.273 1.067 50 0 in-vitro ADAAMO CC(C)(CN)[NH2+]Cc1ccccc1 72319844 166393965 /nfs/dbraw/zinc/39/39/65/166393965.db2.gz CREAATGKLBYRSK-UHFFFAOYSA-N 1 1 178.279 1.514 50 0 ADAAMO CC(C)(CN)C[NH+]1CCCCCC1 4287508 166394696 /nfs/dbraw/zinc/39/46/96/166394696.db2.gz SUDFIJJDSKVMSO-UHFFFAOYSA-N 1 1 184.327 1.847 50 0 in-vitro ADAAMO CC(C)(C[NH3+])N1CCCCC1 19369041 166395301 /nfs/dbraw/zinc/39/53/01/166395301.db2.gz AIJCTHFQONDNCC-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC(C)=CC[NH+]1CCC(=O)CC1 2028362 166415568 /nfs/dbraw/zinc/41/55/68/166415568.db2.gz BCKOYTANVDZEIF-UHFFFAOYSA-N 1 1 167.252 1.618 50 0 ADAAMO CC(C)Cc1[nH]cc[nH+]1 5114439 166503025 /nfs/dbraw/zinc/50/30/25/166503025.db2.gz RFXJLECGYGFJCI-UHFFFAOYSA-N 1 1 124.187 1.608 50 0 in-vitro ADAAMO CC(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 12506081 166528044 /nfs/dbraw/zinc/52/80/44/166528044.db2.gz KZWYGYLHQLJJAM-ZACCUICWSA-N 1 1 183.295 1.488 50 0 ADAAMO CC(C)OC(=O)[C@H]1CCC[N@H+]1C(C)C 32136233 166553652 /nfs/dbraw/zinc/55/36/52/166553652.db2.gz GEZXXWSGDCCGQM-SNVBAGLBSA-N 1 1 199.294 1.811 50 0 ADAAMO CC(C)c1nnc2n1CC[NH2+][C@@H]2C 53710734 166647721 /nfs/dbraw/zinc/64/77/21/166647721.db2.gz PQTBEXHIKUVLSH-SSDOTTSWSA-N 1 1 180.255 1.066 50 0 in-vitro ADAAMO CC1([NH+]2CCCCC2)CCNCC1 16678695 166708398 /nfs/dbraw/zinc/70/83/98/166708398.db2.gz YYWYHZFXVMEZGK-UHFFFAOYSA-N 1 1 182.311 1.614 50 0 ADAAMO CC1CCC(C[NH3+])(N(C)C)CC1 38960055 166745193 /nfs/dbraw/zinc/74/51/93/166745193.db2.gz BJLJEBKJWXMKNP-UHFFFAOYSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO CC1CCN([C@@H](C)C[NH3+])CC1 38785094 166748809 /nfs/dbraw/zinc/74/88/09/166748809.db2.gz QTSXXNDKPSOUPU-VIFPVBQESA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CCCCC[C@H]([NH3+])C(=O)OC 34260375 166875290 /nfs/dbraw/zinc/87/52/90/166875290.db2.gz NXLWJLAACOWDMK-ZETCQYMHSA-N 1 1 159.229 1.067 50 0 in-vitro ADAAMO CCCC[N@H+]1CCCC[C@H]1CN 19843352 166888202 /nfs/dbraw/zinc/88/82/02/166888202.db2.gz RNIKYSSEZFTHHG-JTQLQIEISA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CCCCN1CCCC[C@H]1C[NH3+] 19843352 166888203 /nfs/dbraw/zinc/88/82/03/166888203.db2.gz RNIKYSSEZFTHHG-JTQLQIEISA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CCCNc1[nH+]cccc1N 20278608 167009177 /nfs/dbraw/zinc/00/91/77/167009177.db2.gz QLIOGACEAYALGF-UHFFFAOYSA-N 1 1 151.213 1.486 50 0 ADAAMO CCCOc1ccc(C(=O)C[NH3+])cc1 57218525 167018011 /nfs/dbraw/zinc/01/80/11/167018011.db2.gz TULXEKSOMKGJTK-UHFFFAOYSA-N 1 1 193.246 1.617 50 0 in-vitro ADAAMO CCCOc1ccccc1C(=O)C[NH3+] 72220109 167021085 /nfs/dbraw/zinc/02/10/85/167021085.db2.gz KCZLGJVYYJYFKR-UHFFFAOYSA-N 1 1 193.246 1.617 50 0 in-vitro ADAAMO CCC[C@@H](C)C(=O)N1CC[NH+](C)CC1 32873691 167027052 /nfs/dbraw/zinc/02/70/52/167027052.db2.gz ZRUDUICCOGJWHW-SNVBAGLBSA-N 1 1 198.310 1.197 50 0 ADAAMO CCC[C@@H](C)N1CC[NH2+]CC1 22029059 167034090 /nfs/dbraw/zinc/03/40/90/167034090.db2.gz QTPGFCVQPIPHFA-SECBINFHSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CCC[C@@H]([NH3+])C(=O)OC(C)(C)C 34316600 167045524 /nfs/dbraw/zinc/04/55/24/167045524.db2.gz SGGQAQREPOYSME-SSDOTTSWSA-N 1 1 173.256 1.456 50 0 in-vitro ADAAMO CCC[C@@H]1C[N@H+](C)CCC1=O 76590946 167054431 /nfs/dbraw/zinc/05/44/31/167054431.db2.gz BELSFTBEEXLRFN-MRVPVSSYSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CCC[C@@H]1C[N@@H+](C)CCC1=O 76590946 167054434 /nfs/dbraw/zinc/05/44/34/167054434.db2.gz BELSFTBEEXLRFN-MRVPVSSYSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CCC[C@@]1(C(=O)OC)CCCC[NH2+]1 66323525 167057848 /nfs/dbraw/zinc/05/78/48/167057848.db2.gz YNXUGRMPIGQMCM-JTQLQIEISA-N 1 1 185.267 1.472 50 0 ADAAMO CCC[C@@]1(CO)CCC[N@H+]1C 97053931 167061338 /nfs/dbraw/zinc/06/13/38/167061338.db2.gz GFNXKVOELDHLID-VIFPVBQESA-N 1 1 157.257 1.243 50 0 in-vitro ADAAMO CCC[C@H](C)C(=O)N1CC[NH+](C)CC1 32873692 167065205 /nfs/dbraw/zinc/06/52/05/167065205.db2.gz ZRUDUICCOGJWHW-JTQLQIEISA-N 1 1 198.310 1.197 50 0 ADAAMO CCC[C@H](C)N1CC[NH2+]CC1 22465942 167066651 /nfs/dbraw/zinc/06/66/51/167066651.db2.gz QTPGFCVQPIPHFA-VIFPVBQESA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CCC[C@H]([NH3+])C(=O)OC(C)(C)C 2556634 167080394 /nfs/dbraw/zinc/08/03/94/167080394.db2.gz SGGQAQREPOYSME-ZETCQYMHSA-N 1 1 173.256 1.456 50 0 in-vitro ADAAMO CCC[C@H]1C[N@H+](C)CCC1=O 76590950 167087561 /nfs/dbraw/zinc/08/75/61/167087561.db2.gz BELSFTBEEXLRFN-QMMMGPOBSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CCC[C@H]1C[N@@H+](C)CCC1=O 76590950 167087563 /nfs/dbraw/zinc/08/75/63/167087563.db2.gz BELSFTBEEXLRFN-QMMMGPOBSA-N 1 1 155.241 1.307 50 0 in-vitro ADAAMO CCC[C@H]1C[N@H+]2CCC[C@H]2CN1 66346804 167090873 /nfs/dbraw/zinc/09/08/73/167090873.db2.gz AEMSRNHLEUPYQI-UWVGGRQHSA-N 1 1 168.284 1.223 50 0 ADAAMO CCC[C@]1(CO)CCC[N@H+]1C 97053925 167096139 /nfs/dbraw/zinc/09/61/39/167096139.db2.gz GFNXKVOELDHLID-SECBINFHSA-N 1 1 157.257 1.243 50 0 in-vitro ADAAMO CCC[C@]1(C(=O)OC)CCCC[NH2+]1 66323524 167096932 /nfs/dbraw/zinc/09/69/32/167096932.db2.gz YNXUGRMPIGQMCM-SNVBAGLBSA-N 1 1 185.267 1.472 50 0 ADAAMO CCCc1cc(C[NH+](C)C)[nH]n1 6265457 167099370 /nfs/dbraw/zinc/09/93/70/167099370.db2.gz YTEVULOLCOJFIQ-UHFFFAOYSA-N 1 1 167.256 1.424 50 0 ADAAMO CCCc1cccc(N)[nH+]1 2504555 167105443 /nfs/dbraw/zinc/10/54/43/167105443.db2.gz JDRTXRTVJTWITJ-UHFFFAOYSA-N 1 1 136.198 1.616 50 0 in-vitro ADAAMO CCCc1[nH]cc(C)[nH+]1 26898407 167110007 /nfs/dbraw/zinc/11/00/07/167110007.db2.gz BVGQGPWKBMTPNM-UHFFFAOYSA-N 1 1 124.187 1.671 50 0 in-vitro ADAAMO CCCc1nc(NCCO)cc(C)[nH+]1 6702844 167111517 /nfs/dbraw/zinc/11/15/17/167111517.db2.gz ABIPLWRKMDPWKQ-UHFFFAOYSA-N 1 1 195.266 1.142 50 0 in-vitro ADAAMO CCCc1noc([C@@H](C)[NH3+])n1 19089565 167114706 /nfs/dbraw/zinc/11/47/06/167114706.db2.gz IRTRBCHYHFQLNX-RXMQYKEDSA-N 1 1 155.201 1.042 50 0 ADAAMO CCCc1noc([C@H](C)[NH3+])n1 19089568 167115929 /nfs/dbraw/zinc/11/59/29/167115929.db2.gz IRTRBCHYHFQLNX-YFKPBYRVSA-N 1 1 155.201 1.042 50 0 ADAAMO CC[N@@H+](C)C1(CN)CCCC1 32445544 167140071 /nfs/dbraw/zinc/14/00/71/167140071.db2.gz MQKVDGKMEDIBFO-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 ADAAMO CCN(C)C1(C[NH3+])CCCC1 32445544 167140075 /nfs/dbraw/zinc/14/00/75/167140075.db2.gz MQKVDGKMEDIBFO-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 ADAAMO CC[N@@H+](C)C1(CN)CCCCC1 32445519 167140758 /nfs/dbraw/zinc/14/07/58/167140758.db2.gz IRJZFGMWHRHSRU-UHFFFAOYSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CCN(C)C1(C[NH3+])CCCCC1 32445519 167140761 /nfs/dbraw/zinc/14/07/61/167140761.db2.gz IRJZFGMWHRHSRU-UHFFFAOYSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CC[N@@H+](C)C[C@H](O)c1ccc(N)cc1 14001345 167143918 /nfs/dbraw/zinc/14/39/18/167143918.db2.gz FJHBRYHBDNZMHX-NSHDSACASA-N 1 1 194.278 1.254 50 0 ADAAMO CC[N@@H+](C)C[C@@H](O)c1ccc(N)cc1 14001342 167146992 /nfs/dbraw/zinc/14/69/92/167146992.db2.gz FJHBRYHBDNZMHX-LLVKDONJSA-N 1 1 194.278 1.254 50 0 ADAAMO CCN(C)c1ccc(N)c[nH+]1 37078331 167151005 /nfs/dbraw/zinc/15/10/05/167151005.db2.gz PCOIODSNSWYQHK-UHFFFAOYSA-N 1 1 151.213 1.120 50 0 ADAAMO CC[N@@H+](CC(=O)OC)C1CCCC1 35772895 167156905 /nfs/dbraw/zinc/15/69/05/167156905.db2.gz GDBTYWZSVXHNRB-UHFFFAOYSA-N 1 1 185.267 1.424 50 0 ADAAMO CC[N@@H+](CC(N)=O)C1CCCCC1 32023624 167156925 /nfs/dbraw/zinc/15/69/25/167156925.db2.gz NDUDGPSQRLHOPZ-UHFFFAOYSA-N 1 1 184.283 1.126 50 0 ADAAMO CC[N@@H+](CC(=O)OC)C1CCCCC1 20361086 167158856 /nfs/dbraw/zinc/15/88/56/167158856.db2.gz MCOAVCWVFNYHBG-UHFFFAOYSA-N 1 1 199.294 1.814 50 0 ADAAMO CCN(CC)C(=O)C[N@@H+](CC)C1CC1 89967633 167160852 /nfs/dbraw/zinc/16/08/52/167160852.db2.gz PXIBPVPFVQJFLK-UHFFFAOYSA-N 1 1 198.310 1.339 50 0 ADAAMO CCN(CC)C(C)(C)C[NH3+] 19795799 167163211 /nfs/dbraw/zinc/16/32/11/167163211.db2.gz OKQNWAJBDNOPAI-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CC[NH+](CC)C1CCNCC1 2539008 167164773 /nfs/dbraw/zinc/16/47/73/167164773.db2.gz OUXRMEUJNPVXMM-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CCN(CC)[C@H](C[NH3+])CC(C)C 22921616 167172271 /nfs/dbraw/zinc/17/22/71/167172271.db2.gz VFIZLVLYYTWDDN-JTQLQIEISA-N 1 1 172.316 1.702 50 0 in-vitro ADAAMO CCN(CC)[C@H]1CCCC[C@@H]1[NH3+] 22028998 167172329 /nfs/dbraw/zinc/17/23/29/167172329.db2.gz VTVCXLUDVDCEBU-UWVGGRQHSA-N 1 1 170.300 1.598 50 0 ADAAMO CCN(CC)[C@@H]1CCCC[C@@H]1[NH3+] 19391355 167173941 /nfs/dbraw/zinc/17/39/41/167173941.db2.gz VTVCXLUDVDCEBU-VHSXEESVSA-N 1 1 170.300 1.598 50 0 ADAAMO CCN(CC)[C@@H]1CCCC[C@H]1[NH3+] 19391359 167174168 /nfs/dbraw/zinc/17/41/68/167174168.db2.gz VTVCXLUDVDCEBU-NXEZZACHSA-N 1 1 170.300 1.598 50 0 ADAAMO CCN(CC)[C@H]1CCCC[C@H]1[NH3+] 19391362 167174402 /nfs/dbraw/zinc/17/44/02/167174402.db2.gz VTVCXLUDVDCEBU-ZJUUUORDSA-N 1 1 170.300 1.598 50 0 ADAAMO CCN(CC)c1[nH+]cccc1N 20317377 167175560 /nfs/dbraw/zinc/17/55/60/167175560.db2.gz WSKZNAZWRSCWDO-UHFFFAOYSA-N 1 1 165.240 1.510 50 0 ADAAMO CCN(CC)c1ccc(N)c[nH+]1 19093073 167177160 /nfs/dbraw/zinc/17/71/60/167177160.db2.gz OBNDQWYYQMAJDN-UHFFFAOYSA-N 1 1 165.240 1.510 50 0 in-vitro ADAAMO CC[N@@H+](CCN)C1CCCCC1 22173884 167183081 /nfs/dbraw/zinc/18/30/81/167183081.db2.gz RQXOCIYELPKFEP-UHFFFAOYSA-N 1 1 170.300 1.600 50 0 ADAAMO CC[N@H+](CCNC)C1CCCCC1 19737141 167184192 /nfs/dbraw/zinc/18/41/92/167184192.db2.gz GOAQRMARLNJUPO-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 ADAAMO CC[N@@H+](CCNC)C1CCCCC1 19737141 167184194 /nfs/dbraw/zinc/18/41/94/167184194.db2.gz GOAQRMARLNJUPO-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 ADAAMO CC[N@@H+](CCO)Cc1ccc(C)o1 9720785 167189282 /nfs/dbraw/zinc/18/92/82/167189282.db2.gz QSLXMRZEOHIGBE-UHFFFAOYSA-N 1 1 183.251 1.402 50 0 ADAAMO CCN1C(=O)[C@@H]([NH3+])c2ccccc21 96068590 167197648 /nfs/dbraw/zinc/19/76/48/167197648.db2.gz PNRCXKLDZREYFW-VIFPVBQESA-N 1 1 176.219 1.053 50 0 in-vitro ADAAMO CC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 4343747 167197871 /nfs/dbraw/zinc/19/78/71/167197871.db2.gz RRUBGQWCJKNSGN-YUMQZZPRSA-N 1 1 155.241 1.306 50 0 ADAAMO CC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 239403284 167198236 /nfs/dbraw/zinc/19/82/36/167198236.db2.gz RRUBGQWCJKNSGN-HTQZYQBOSA-N 1 1 155.241 1.306 50 0 ADAAMO CC[N@H+]1CCC(=O)C[C@H]1C 49708955 167198273 /nfs/dbraw/zinc/19/82/73/167198273.db2.gz XTKSUNDTBJILLT-SSDOTTSWSA-N 1 1 141.214 1.060 50 0 in-vitro ADAAMO CC[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 239403285 167199148 /nfs/dbraw/zinc/19/91/48/167199148.db2.gz RRUBGQWCJKNSGN-JGVFFNPUSA-N 1 1 155.241 1.306 50 0 ADAAMO CCN1C(=O)[C@@H]([NH3+])c2cc(C)ccc21 19944078 167199218 /nfs/dbraw/zinc/19/92/18/167199218.db2.gz DIFLSZHBDJULRQ-JTQLQIEISA-N 1 1 190.246 1.361 50 0 in-vitro ADAAMO CCN1C(=O)[C@H]([NH3+])c2ccccc21 19944015 167199319 /nfs/dbraw/zinc/19/93/19/167199319.db2.gz PNRCXKLDZREYFW-SECBINFHSA-N 1 1 176.219 1.053 50 0 in-vitro ADAAMO CC[N@H+]1CCC(=O)C[C@@H]1C 49708954 167199642 /nfs/dbraw/zinc/19/96/42/167199642.db2.gz XTKSUNDTBJILLT-ZETCQYMHSA-N 1 1 141.214 1.060 50 0 in-vitro ADAAMO CC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 1296039 167199753 /nfs/dbraw/zinc/19/97/53/167199753.db2.gz RRUBGQWCJKNSGN-SFYZADRCSA-N 1 1 155.241 1.306 50 0 ADAAMO CCN1C(=O)[C@H]([NH3+])c2cc(C)ccc21 95942420 167200280 /nfs/dbraw/zinc/20/02/80/167200280.db2.gz DIFLSZHBDJULRQ-SNVBAGLBSA-N 1 1 190.246 1.361 50 0 in-vitro ADAAMO CC[N@H+]1CCCNC(C)(C)C1 62566368 167201636 /nfs/dbraw/zinc/20/16/36/167201636.db2.gz WWAZNWZVLQMHAI-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 ADAAMO CCN1CCC[NH2+]C(C)(C)C1 62566368 167201642 /nfs/dbraw/zinc/20/16/42/167201642.db2.gz WWAZNWZVLQMHAI-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 ADAAMO CC[N@H+]1CCCNC[C@H]1C(C)C 34928977 167201701 /nfs/dbraw/zinc/20/17/01/167201701.db2.gz PXRLGJYMPDOVAR-JTQLQIEISA-N 1 1 170.300 1.326 50 0 ADAAMO CCN1CCC[NH2+]C[C@H]1C(C)C 34928977 167201708 /nfs/dbraw/zinc/20/17/08/167201708.db2.gz PXRLGJYMPDOVAR-JTQLQIEISA-N 1 1 170.300 1.326 50 0 ADAAMO CC[N@H+]1CCCCC[C@H]1CO 436625 167203175 /nfs/dbraw/zinc/20/31/75/167203175.db2.gz IAXTYTXEXUHZJE-VIFPVBQESA-N 1 1 157.257 1.243 50 0 ADAAMO CC[N@H+]1CCCNCC1(C)C 62566357 167203320 /nfs/dbraw/zinc/20/33/20/167203320.db2.gz PGCIKDPIKHORSK-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 ADAAMO CCN1CCC[NH2+]CC1(C)C 62566357 167203324 /nfs/dbraw/zinc/20/33/24/167203324.db2.gz PGCIKDPIKHORSK-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 ADAAMO CC[N@H+]1CCCNC[C@@H]1C(C)C 34928975 167204487 /nfs/dbraw/zinc/20/44/87/167204487.db2.gz PXRLGJYMPDOVAR-SNVBAGLBSA-N 1 1 170.300 1.326 50 0 ADAAMO CCN1CCC[NH2+]C[C@@H]1C(C)C 34928975 167204491 /nfs/dbraw/zinc/20/44/91/167204491.db2.gz PXRLGJYMPDOVAR-SNVBAGLBSA-N 1 1 170.300 1.326 50 0 ADAAMO CC[N@H+]1CCCCC[C@@H]1CO 436627 167204800 /nfs/dbraw/zinc/20/48/00/167204800.db2.gz IAXTYTXEXUHZJE-SECBINFHSA-N 1 1 157.257 1.243 50 0 ADAAMO CC[NH+]1CCN(C(=O)C(C)(C)C)CC1 20356150 167206233 /nfs/dbraw/zinc/20/62/33/167206233.db2.gz KPMXKTVNRGEGNE-UHFFFAOYSA-N 1 1 198.310 1.197 50 0 ADAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(C)C 40025508 167210113 /nfs/dbraw/zinc/21/01/13/167210113.db2.gz YKOOEWXASCWRFK-JTQLQIEISA-N 1 1 198.310 1.243 50 0 ADAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)C 40025506 167210523 /nfs/dbraw/zinc/21/05/23/167210523.db2.gz YKOOEWXASCWRFK-SNVBAGLBSA-N 1 1 198.310 1.243 50 0 ADAAMO CCN1CC[C@@H]([NH2+]C)C[C@@H]1C 49708962 167218433 /nfs/dbraw/zinc/21/84/33/167218433.db2.gz OODJAHIXUDRTEC-DTWKUNHWSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CCN1CC[C@@H]([NH2+]C)C[C@H]1C 101423447 167220794 /nfs/dbraw/zinc/22/07/94/167220794.db2.gz OODJAHIXUDRTEC-RKDXNWHRSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[N@H+]1CCc2c(N)cccc2C1 38032531 167221617 /nfs/dbraw/zinc/22/16/17/167221617.db2.gz BQEJAFIVZNAXGW-UHFFFAOYSA-N 1 1 176.263 1.647 50 0 in-vitro ADAAMO CC[N@H+]1C[C@@H](C)C(=O)C[C@@H]1C 4753664 167222954 /nfs/dbraw/zinc/22/29/54/167222954.db2.gz NIJTYYIKYWTEQR-SFYZADRCSA-N 1 1 155.241 1.306 50 0 ADAAMO CC[N@H+]1CCc2nc(N)sc2C1 19831662 167223006 /nfs/dbraw/zinc/22/30/06/167223006.db2.gz MSKNCRMLUUGTDB-UHFFFAOYSA-N 1 1 183.280 1.103 50 0 in-vitro ADAAMO CC[N@H+]1CC[C@H](O)[C@@H](C)[C@H]1C 249698693 167223065 /nfs/dbraw/zinc/22/30/65/167223065.db2.gz WEPBBBLOFRSXAV-YIZRAAEISA-N 1 1 157.257 1.098 50 0 ADAAMO CC[N@H+]1CC[C@H](O)[C@@H](C)[C@@H]1C 15021660 167223483 /nfs/dbraw/zinc/22/34/83/167223483.db2.gz WEPBBBLOFRSXAV-CIUDSAMLSA-N 1 1 157.257 1.098 50 0 ADAAMO CCN1CC[C@H]([NH2+]C)C[C@@H]1C 49708960 167223588 /nfs/dbraw/zinc/22/35/88/167223588.db2.gz OODJAHIXUDRTEC-IUCAKERBSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[N@H+]1CC[C@H](O)[C@H](C)[C@H]1C 249698692 167223632 /nfs/dbraw/zinc/22/36/32/167223632.db2.gz WEPBBBLOFRSXAV-HLTSFMKQSA-N 1 1 157.257 1.098 50 0 ADAAMO CCN1CC[C@H]([NH2+]C)C[C@H]1C 101423450 167224206 /nfs/dbraw/zinc/22/42/06/167224206.db2.gz OODJAHIXUDRTEC-BDAKNGLRSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[N@H+]1CC[C@H](O)[C@H](C)[C@@H]1C 4751293 167225001 /nfs/dbraw/zinc/22/50/01/167225001.db2.gz WEPBBBLOFRSXAV-VGMNWLOBSA-N 1 1 157.257 1.098 50 0 ADAAMO CC[N@H+]1Cc2ccc(N)cc2C1 11731032 167225878 /nfs/dbraw/zinc/22/58/78/167225878.db2.gz GPTKTLALJBGUGE-UHFFFAOYSA-N 1 1 162.236 1.604 50 0 in-vitro ADAAMO CC[N@H+]1Cc2cccc(N)c2C1 11730924 167227273 /nfs/dbraw/zinc/22/72/73/167227273.db2.gz YNDISBLRDVYNQM-UHFFFAOYSA-N 1 1 162.236 1.604 50 0 in-vitro ADAAMO CC[N@H+]1C[C@H](C)O[C@H](C2CC2)C1 307052255 167227313 /nfs/dbraw/zinc/22/73/13/167227313.db2.gz JQUYSZFMHSYLJQ-WPRPVWTQSA-N 1 1 169.268 1.506 50 0 ADAAMO CC[N@@H+]1C[C@H](C2CC2)O[C@H](C)C1 307052249 167227737 /nfs/dbraw/zinc/22/77/37/167227737.db2.gz JQUYSZFMHSYLJQ-PSASIEDQSA-N 1 1 169.268 1.506 50 0 ADAAMO CC[N@@H+]1Cc2ccc(O)cc2C1 1655749 167227929 /nfs/dbraw/zinc/22/79/29/167227929.db2.gz HWVCMVGGHIJXRT-UHFFFAOYSA-N 1 1 163.220 1.728 50 0 ADAAMO CC[N@H+]1Cc2ccc(O)cc2C1 1655749 167227931 /nfs/dbraw/zinc/22/79/31/167227931.db2.gz HWVCMVGGHIJXRT-UHFFFAOYSA-N 1 1 163.220 1.728 50 0 ADAAMO CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 307052251 167228122 /nfs/dbraw/zinc/22/81/22/167228122.db2.gz JQUYSZFMHSYLJQ-SCZZXKLOSA-N 1 1 169.268 1.506 50 0 ADAAMO CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 307052253 167228687 /nfs/dbraw/zinc/22/86/87/167228687.db2.gz JQUYSZFMHSYLJQ-WCBMZHEXSA-N 1 1 169.268 1.506 50 0 ADAAMO CCN1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 14000963 167229063 /nfs/dbraw/zinc/22/90/63/167229063.db2.gz IQSHXHMFRKXLIU-PHIMTYICSA-N 1 1 182.311 1.328 50 0 ADAAMO CC[N@H+]1C[C@H](C)C(=O)C[C@@H]1C 4753662 167229195 /nfs/dbraw/zinc/22/91/95/167229195.db2.gz NIJTYYIKYWTEQR-YUMQZZPRSA-N 1 1 155.241 1.306 50 0 ADAAMO CCNC(=O)Cn1cc[nH+]c1C(C)C 69950214 167242208 /nfs/dbraw/zinc/24/22/08/167242208.db2.gz MPIJBYPZSJLGAH-UHFFFAOYSA-N 1 1 195.266 1.143 50 0 ADAAMO CC[NH2+]CCCNCc1ccccc1 13734749 167261543 /nfs/dbraw/zinc/26/15/43/167261543.db2.gz JUKWGSHQJBRVCU-UHFFFAOYSA-N 1 1 192.306 1.776 50 0 ADAAMO CC[NH2+]CCCN1CCCCC1 19736953 167262178 /nfs/dbraw/zinc/26/21/78/167262178.db2.gz CKXMWBUYZGXMHR-UHFFFAOYSA-N 1 1 170.300 1.472 50 0 ADAAMO CC[NH2+]C[C@@H]1CCCN2CCCC[C@@H]12 75847967 167272059 /nfs/dbraw/zinc/27/20/59/167272059.db2.gz KETNNVWOJGXDOH-RYUDHWBXSA-N 1 1 196.338 1.860 50 0 ADAAMO CC[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 72323937 167272501 /nfs/dbraw/zinc/27/25/01/167272501.db2.gz KETNNVWOJGXDOH-NWDGAFQWSA-N 1 1 196.338 1.860 50 0 biogenic ADAAMO CC[NH2+]C[C@H]1CCCN2CCCC[C@@H]12 170622845 167273818 /nfs/dbraw/zinc/27/38/18/167273818.db2.gz KETNNVWOJGXDOH-NEPJUHHUSA-N 1 1 196.338 1.860 50 0 ADAAMO CC[NH2+]C[C@H]1CCCN2CCCC[C@H]12 85389431 167275431 /nfs/dbraw/zinc/27/54/31/167275431.db2.gz KETNNVWOJGXDOH-VXGBXAGGSA-N 1 1 196.338 1.860 50 0 ADAAMO CC[NH2+]Cc1nc(C(C)C)no1 19090811 167276468 /nfs/dbraw/zinc/27/64/68/167276468.db2.gz DJPLWNJQMFFLBR-UHFFFAOYSA-N 1 1 169.228 1.303 50 0 in-vitro ADAAMO CC[NH2+][C@@H]1CCCc2[nH]ncc21 83744376 167291124 /nfs/dbraw/zinc/29/11/24/167291124.db2.gz KNKOJPSXJRNTKQ-MRVPVSSYSA-N 1 1 165.240 1.397 50 0 ADAAMO CC[NH2+][C@H]1CCCc2[nH]ncc21 83744377 167302601 /nfs/dbraw/zinc/30/26/01/167302601.db2.gz KNKOJPSXJRNTKQ-QMMMGPOBSA-N 1 1 165.240 1.397 50 0 ADAAMO CCNc1ccc(N)c[nH+]1 19952780 167308644 /nfs/dbraw/zinc/30/86/44/167308644.db2.gz SIFUZPJRTJXWBE-UHFFFAOYSA-N 1 1 137.186 1.096 50 0 in-vitro ADAAMO CCNc1[nH]c2ccccc2[nH+]1 1399397 167312763 /nfs/dbraw/zinc/31/27/63/167312763.db2.gz OWKRGCMCKQWDHJ-UHFFFAOYSA-N 1 1 161.208 1.995 50 0 ADAAMO CCNc1[nH+]cccc1N 20278619 167312918 /nfs/dbraw/zinc/31/29/18/167312918.db2.gz UQXRQVGWVGDXMS-UHFFFAOYSA-N 1 1 137.186 1.096 50 0 in-vitro ADAAMO CCNc1[nH+]cccc1C 51040839 167314650 /nfs/dbraw/zinc/31/46/50/167314650.db2.gz DDVXXITYAVIOHO-UHFFFAOYSA-N 1 1 136.198 1.822 50 0 in-vitro ADAAMO CCOC(=O)C1([NH2+]C)CCCCC1 37458724 167324008 /nfs/dbraw/zinc/32/40/08/167324008.db2.gz MQXJEVBIGFGQCK-UHFFFAOYSA-N 1 1 185.267 1.472 50 0 ADAAMO CCOC(=O)C1=C(O)CC[N@H+](CC)C1 17957804 167326883 /nfs/dbraw/zinc/32/68/83/167326883.db2.gz FAYJBNOUDWBYQW-UHFFFAOYSA-N 1 1 199.250 1.087 50 0 ADAAMO CCOC(=O)C1=C(O)CC[N@@H+](CC)C1 17957804 167326885 /nfs/dbraw/zinc/32/68/85/167326885.db2.gz FAYJBNOUDWBYQW-UHFFFAOYSA-N 1 1 199.250 1.087 50 0 ADAAMO CCOC(=O)CC[N@@H+](C)C(C)C 35269487 167329739 /nfs/dbraw/zinc/32/97/39/167329739.db2.gz VQJJKSUALOTQTL-UHFFFAOYSA-N 1 1 173.256 1.280 50 0 ADAAMO CCOC(=O)C[N@H+]1CCCC[C@@H]1CC 35605629 167332257 /nfs/dbraw/zinc/33/22/57/167332257.db2.gz MBBPTLVGQAXZQX-JTQLQIEISA-N 1 1 199.294 1.814 50 0 ADAAMO CCOC(=O)C[NH+]1CCCCC1 155331 167332351 /nfs/dbraw/zinc/33/23/51/167332351.db2.gz LXZHLNWWDDNIOJ-UHFFFAOYSA-N 1 1 171.240 1.035 50 0 in-vitro ADAAMO CCOC(=O)C[N@@H+]1CCC[C@@H](C)C1 14193750 167332469 /nfs/dbraw/zinc/33/24/69/167332469.db2.gz SKYKHZRXTOJHTQ-SECBINFHSA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)C[N@H+]1CCC[C@@H](C)C1 14193750 167332474 /nfs/dbraw/zinc/33/24/74/167332474.db2.gz SKYKHZRXTOJHTQ-SECBINFHSA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)C[N@@H+]1CCC[C@H](C)C1 14193751 167332740 /nfs/dbraw/zinc/33/27/40/167332740.db2.gz SKYKHZRXTOJHTQ-VIFPVBQESA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)C[N@H+]1CCC[C@H](C)C1 14193751 167332744 /nfs/dbraw/zinc/33/27/44/167332744.db2.gz SKYKHZRXTOJHTQ-VIFPVBQESA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)C[NH+]1CCC(CC)CC1 42338374 167332770 /nfs/dbraw/zinc/33/27/70/167332770.db2.gz WYKDHANRJHKYOX-UHFFFAOYSA-N 1 1 199.294 1.672 50 0 ADAAMO CCOC(=O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 14194614 167332874 /nfs/dbraw/zinc/33/28/74/167332874.db2.gz ULMIOYNFXLYGEU-AOOOYVTPSA-N 1 1 199.294 1.527 50 0 ADAAMO CCOC(=O)C[NH2+]C1CCCC1 15443035 167333008 /nfs/dbraw/zinc/33/30/08/167333008.db2.gz FTUXHDGZWNYWNR-UHFFFAOYSA-N 1 1 171.240 1.082 50 0 in-vitro ADAAMO CCOC(=O)C[NH2+]C1CCCCC1 20035780 167333018 /nfs/dbraw/zinc/33/30/18/167333018.db2.gz NHRFJPKXIYYFMX-UHFFFAOYSA-N 1 1 185.267 1.472 50 0 in-vitro ADAAMO CCOC(=O)C[N@H+]1[C@@H](C)CCC[C@H]1C 14194255 167333533 /nfs/dbraw/zinc/33/35/33/167333533.db2.gz JYBUIEFDKQAFSU-AOOOYVTPSA-N 1 1 199.294 1.812 50 0 ADAAMO CCOC(=O)CCn1cc[nH+]c1C 170209 167333701 /nfs/dbraw/zinc/33/37/01/167333701.db2.gz ZWDNBRFFSIJPGQ-UHFFFAOYSA-N 1 1 182.223 1.145 50 0 in-vitro ADAAMO CCOC(=O)C[NH+]1CCC(C)CC1 14193625 167333835 /nfs/dbraw/zinc/33/38/35/167333835.db2.gz OBPOFJGNDOXHSS-UHFFFAOYSA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)C[N@@H+]1CCCC[C@H]1C 14193885 167333939 /nfs/dbraw/zinc/33/39/39/167333939.db2.gz FLODPSSPYSXGSF-SECBINFHSA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)C[N@H+]1CCCC[C@H]1C 14193885 167333940 /nfs/dbraw/zinc/33/39/40/167333940.db2.gz FLODPSSPYSXGSF-SECBINFHSA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)C[N@@H+]1CCCC[C@@H]1C 14193884 167334037 /nfs/dbraw/zinc/33/40/37/167334037.db2.gz FLODPSSPYSXGSF-VIFPVBQESA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)C[N@H+]1CCCC[C@@H]1C 14193884 167334041 /nfs/dbraw/zinc/33/40/41/167334041.db2.gz FLODPSSPYSXGSF-VIFPVBQESA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)C[N@H+]1CCCC[C@H]1CC 35605625 167334453 /nfs/dbraw/zinc/33/44/53/167334453.db2.gz MBBPTLVGQAXZQX-SNVBAGLBSA-N 1 1 199.294 1.814 50 0 ADAAMO CCOC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C 20052910 167335791 /nfs/dbraw/zinc/33/57/91/167335791.db2.gz JJFPNKFFJNYTHC-VHSXEESVSA-N 1 1 199.294 1.718 50 0 ADAAMO CCOC(=O)C[NH2+][C@H]1CCCC[C@@H]1C 20052912 167336161 /nfs/dbraw/zinc/33/61/61/167336161.db2.gz JJFPNKFFJNYTHC-UWVGGRQHSA-N 1 1 199.294 1.718 50 0 ADAAMO CCOC(=O)C[NH2+][C@H]1CCCC[C@H]1C 20052916 167336262 /nfs/dbraw/zinc/33/62/62/167336262.db2.gz JJFPNKFFJNYTHC-ZJUUUORDSA-N 1 1 199.294 1.718 50 0 ADAAMO CCOC(=O)C[NH2+][C@@H]1CCCC[C@H]1C 20052914 167336290 /nfs/dbraw/zinc/33/62/90/167336290.db2.gz JJFPNKFFJNYTHC-NXEZZACHSA-N 1 1 199.294 1.718 50 0 ADAAMO CCOC(=O)C[C@H](C)[N@@H+](C)CC 34925153 167336828 /nfs/dbraw/zinc/33/68/28/167336828.db2.gz HUBXCNHHVREQJA-QMMMGPOBSA-N 1 1 173.256 1.280 50 0 ADAAMO CCOC(=O)C[C@H]([NH3+])c1ccco1 4312862 167337579 /nfs/dbraw/zinc/33/75/79/167337579.db2.gz ZQCIVDVXCPAUEF-ZETCQYMHSA-N 1 1 183.207 1.233 50 0 ADAAMO CCOC(=O)Cn1cc[nH+]c1CC 41392111 167338214 /nfs/dbraw/zinc/33/82/14/167338214.db2.gz SVJZYAZXNRFUCQ-UHFFFAOYSA-N 1 1 182.223 1.009 50 0 ADAAMO CCOC(=O)[C@@H]([NH3+])CC(C)(C)F 34563790 167346499 /nfs/dbraw/zinc/34/64/99/167346499.db2.gz MJEBOMLXSMSDDI-LURJTMIESA-N 1 1 177.219 1.015 50 0 in-vitro ADAAMO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 166026437 167347079 /nfs/dbraw/zinc/34/70/79/167347079.db2.gz GKPBXOVUKKLFKG-NXEZZACHSA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@@H]([NH3+])Cc1ccccc1 54954624 167347125 /nfs/dbraw/zinc/34/71/25/167347125.db2.gz CJGXMNONHNZEQQ-JTQLQIEISA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO CCOC(=O)[C@@H](C)[NH+]1CCCCC1 5325936 167347265 /nfs/dbraw/zinc/34/72/65/167347265.db2.gz ITYAIFQYIIUEEY-SECBINFHSA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)[C@@H](C)[NH2+]C1CCCCC1 37972239 167347784 /nfs/dbraw/zinc/34/77/84/167347784.db2.gz UPPDUARXWJEKFZ-SECBINFHSA-N 1 1 199.294 1.860 50 0 ADAAMO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 34925139 167348602 /nfs/dbraw/zinc/34/86/02/167348602.db2.gz GKPBXOVUKKLFKG-VHSXEESVSA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@@H]([NH3+])CC1CCCCC1 34444995 167349081 /nfs/dbraw/zinc/34/90/81/167349081.db2.gz NYJXAHCVTRDWEF-JTQLQIEISA-N 1 1 199.294 1.847 50 0 ADAAMO CCOC(=O)[C@@H]([NH3+])CC1CCC1 51971834 167349751 /nfs/dbraw/zinc/34/97/51/167349751.db2.gz LBMYKRXWOHTRIK-QMMMGPOBSA-N 1 1 171.240 1.067 50 0 in-vitro ADAAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1C 406995 167350068 /nfs/dbraw/zinc/35/00/68/167350068.db2.gz ZICBNHLULHJETL-QMMMGPOBSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1C 406995 167350072 /nfs/dbraw/zinc/35/00/72/167350072.db2.gz ZICBNHLULHJETL-QMMMGPOBSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@@H]1CC2CC[NH+]1CC2 38613846 167350129 /nfs/dbraw/zinc/35/01/29/167350129.db2.gz KCCLFMFYEDPKEL-VIFPVBQESA-N 1 1 183.251 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC)C1 34184530 167350506 /nfs/dbraw/zinc/35/05/06/167350506.db2.gz OEYYMGKUKZHLBG-SECBINFHSA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)[C@@H]1CCC[N@H+]1CC 44075917 167350635 /nfs/dbraw/zinc/35/06/35/167350635.db2.gz CUDOPASYFARLIF-QMMMGPOBSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@@H]1CCCc2c[nH+]cn21 82046771 167350886 /nfs/dbraw/zinc/35/08/86/167350886.db2.gz KKVFMRXKYPNVQU-VIFPVBQESA-N 1 1 194.234 1.324 50 0 ADAAMO CCOC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 34184533 167351185 /nfs/dbraw/zinc/35/11/85/167351185.db2.gz ILEWGMFFMZYVCG-SNVBAGLBSA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@@H]1CCCCC[NH2+]1 5315696 167352311 /nfs/dbraw/zinc/35/23/11/167352311.db2.gz SEPAWPFHCJAZRG-QMMMGPOBSA-N 1 1 171.240 1.082 50 0 ADAAMO CCOC(=O)[C@@H]1CCc2[nH]cnc2C1 76094355 167354829 /nfs/dbraw/zinc/35/48/29/167354829.db2.gz DFGNMGGMGPHJIX-SSDOTTSWSA-N 1 1 194.234 1.078 50 0 ADAAMO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 166026552 167356880 /nfs/dbraw/zinc/35/68/80/167356880.db2.gz GKPBXOVUKKLFKG-ZJUUUORDSA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 34925140 167357316 /nfs/dbraw/zinc/35/73/16/167357316.db2.gz GKPBXOVUKKLFKG-UWVGGRQHSA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@H](C)[NH+]1CCCCC1 5326214 167357433 /nfs/dbraw/zinc/35/74/33/167357433.db2.gz ITYAIFQYIIUEEY-VIFPVBQESA-N 1 1 185.267 1.424 50 0 ADAAMO CCOC(=O)[C@H]([NH3+])CC1CCC1 51971832 167358532 /nfs/dbraw/zinc/35/85/32/167358532.db2.gz LBMYKRXWOHTRIK-MRVPVSSYSA-N 1 1 171.240 1.067 50 0 in-vitro ADAAMO CCOC(=O)[C@H](C)[NH2+]C1CCCCC1 37972240 167359175 /nfs/dbraw/zinc/35/91/75/167359175.db2.gz UPPDUARXWJEKFZ-VIFPVBQESA-N 1 1 199.294 1.860 50 0 ADAAMO CCOC(=O)[C@H]([NH3+])Cc1ccccc1 54954623 167359299 /nfs/dbraw/zinc/35/92/99/167359299.db2.gz CJGXMNONHNZEQQ-SNVBAGLBSA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO CCOC(=O)[C@H]([NH3+])CC(C)(C)F 38880252 167359610 /nfs/dbraw/zinc/35/96/10/167359610.db2.gz MJEBOMLXSMSDDI-ZCFIWIBFSA-N 1 1 177.219 1.015 50 0 ADAAMO CCOC(=O)[C@H]([NH3+])CC1CCCCC1 34444994 167359885 /nfs/dbraw/zinc/35/98/85/167359885.db2.gz NYJXAHCVTRDWEF-SNVBAGLBSA-N 1 1 199.294 1.847 50 0 ADAAMO CCOC(=O)[C@H]1CC2CC[NH+]1CC2 38613848 167360449 /nfs/dbraw/zinc/36/04/49/167360449.db2.gz KCCLFMFYEDPKEL-SECBINFHSA-N 1 1 183.251 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@H]1CCC[N@H+]1CC 38804074 167360592 /nfs/dbraw/zinc/36/05/92/167360592.db2.gz CUDOPASYFARLIF-MRVPVSSYSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@H]1CCC[N@H+](C(C)C)C1 34184534 167360683 /nfs/dbraw/zinc/36/06/83/167360683.db2.gz ILEWGMFFMZYVCG-JTQLQIEISA-N 1 1 199.294 1.670 50 0 ADAAMO CCOC(=O)[C@H]1CCCc2c[nH+]cn21 82046772 167361292 /nfs/dbraw/zinc/36/12/92/167361292.db2.gz KKVFMRXKYPNVQU-SECBINFHSA-N 1 1 194.234 1.324 50 0 ADAAMO CCOC(=O)[C@H]1CCCCC[NH2+]1 5315834 167361437 /nfs/dbraw/zinc/36/14/37/167361437.db2.gz SEPAWPFHCJAZRG-MRVPVSSYSA-N 1 1 171.240 1.082 50 0 ADAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC)C1 34184529 167361565 /nfs/dbraw/zinc/36/15/65/167361565.db2.gz OEYYMGKUKZHLBG-VIFPVBQESA-N 1 1 185.267 1.281 50 0 ADAAMO CCOC(=O)[C@H]1CCCC[N@@H+]1C 406994 167361967 /nfs/dbraw/zinc/36/19/67/167361967.db2.gz ZICBNHLULHJETL-MRVPVSSYSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)[C@H]1CCCC[N@H+]1C 406994 167361970 /nfs/dbraw/zinc/36/19/70/167361970.db2.gz ZICBNHLULHJETL-MRVPVSSYSA-N 1 1 171.240 1.034 50 0 in-vitro ADAAMO CCOC(=O)c1c(C)cc(C)[nH+]c1N 15019550 167366356 /nfs/dbraw/zinc/36/63/56/167366356.db2.gz BHKMEZFAPBBDSV-UHFFFAOYSA-N 1 1 194.234 1.457 50 0 ADAAMO CCOC(=O)c1cccn2c[nH+]cc12 82046535 167371411 /nfs/dbraw/zinc/37/14/11/167371411.db2.gz IZZCPMXJHNYFKD-UHFFFAOYSA-N 1 1 190.202 1.511 50 0 ADAAMO CCOC(Cn1cc[nH+]c1C)OCC 14608645 167381001 /nfs/dbraw/zinc/38/10/01/167381001.db2.gz YONZLTRVUZBXBL-UHFFFAOYSA-N 1 1 198.266 1.591 50 0 ADAAMO CCOCCC[N@@H+]1CCC(=O)[C@H](C)C1 49693598 167385404 /nfs/dbraw/zinc/38/54/04/167385404.db2.gz LBYQCFRBHQMJGQ-SNVBAGLBSA-N 1 1 199.294 1.324 50 0 in-vitro ADAAMO CCOCCC[N@H+]1CCC(=O)[C@H](C)C1 49693598 167385407 /nfs/dbraw/zinc/38/54/07/167385407.db2.gz LBYQCFRBHQMJGQ-SNVBAGLBSA-N 1 1 199.294 1.324 50 0 in-vitro ADAAMO CCOCCC(=[NH2+])OC 59842938 167386506 /nfs/dbraw/zinc/38/65/06/167386506.db2.gz WMBPMAKNFOHKBT-UHFFFAOYSA-N 1 1 131.175 1.037 50 0 ADAAMO CCOCCC[N@@H+]1CCC(=O)[C@@H](C)C1 49693599 167386882 /nfs/dbraw/zinc/38/68/82/167386882.db2.gz LBYQCFRBHQMJGQ-JTQLQIEISA-N 1 1 199.294 1.324 50 0 in-vitro ADAAMO CCOCCC[N@H+]1CCC(=O)[C@@H](C)C1 49693599 167386883 /nfs/dbraw/zinc/38/68/83/167386883.db2.gz LBYQCFRBHQMJGQ-JTQLQIEISA-N 1 1 199.294 1.324 50 0 in-vitro ADAAMO CCOCCCNc1[nH+]cccc1N 20278682 167387079 /nfs/dbraw/zinc/38/70/79/167387079.db2.gz QPBSRASTSVLYMW-UHFFFAOYSA-N 1 1 195.266 1.502 50 0 ADAAMO CCOCC[N@@H+](CC)CC(C)(C)O 72270471 167389732 /nfs/dbraw/zinc/38/97/32/167389732.db2.gz ACLHNNBSPOVZAY-UHFFFAOYSA-N 1 1 189.299 1.116 50 0 ADAAMO CCSCC[N@@H+](C)[C@@H](C)CO 89275254 167435416 /nfs/dbraw/zinc/43/54/16/167435416.db2.gz VVUQDKDOYOQRHB-QMMMGPOBSA-N 1 1 177.313 1.052 50 0 ADAAMO CCc1ccc([C@@H]2CNCC[NH2+]2)cc1 39934040 167742319 /nfs/dbraw/zinc/74/23/19/167742319.db2.gz XXPMLIBLWBCOEI-LBPRGKRZSA-N 1 1 190.290 1.483 50 0 in-vitro ADAAMO CCc1[nH+]ccn1CC(F)F 82615379 167779624 /nfs/dbraw/zinc/77/96/24/167779624.db2.gz NBZRBQJJRUJTDY-UHFFFAOYSA-N 1 1 160.167 1.711 50 0 in-vitro ADAAMO CCn1cc[nH+]c1C 32151032 167805243 /nfs/dbraw/zinc/80/52/43/167805243.db2.gz NYYVCPHBKQYINK-UHFFFAOYSA-N 1 1 110.160 1.211 50 0 ADAAMO CN(C)C1(C[NH3+])CCCCCC1 32445545 167830164 /nfs/dbraw/zinc/83/01/64/167830164.db2.gz UTXQTTHRHVLYSZ-UHFFFAOYSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 32873690 167911471 /nfs/dbraw/zinc/91/14/71/167911471.db2.gz BSVRYTQZHUCFKV-UHFFFAOYSA-N 1 1 198.310 1.197 50 0 ADAAMO C[NH2+]CCc1nc2cccc(C)c2[nH]1 15635475 168001212 /nfs/dbraw/zinc/00/12/12/168001212.db2.gz LFARBAVQYFZEMY-UHFFFAOYSA-N 1 1 189.262 1.633 50 0 ADAAMO C[NH2+]CCc1nc2ccc(F)cc2[nH]1 19088954 168003050 /nfs/dbraw/zinc/00/30/50/168003050.db2.gz MESKRXUBBFGAKG-UHFFFAOYSA-N 1 1 193.225 1.464 50 0 in-vitro ADAAMO C[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 61714953 168006798 /nfs/dbraw/zinc/00/67/98/168006798.db2.gz FMDVQPTUYDTXHO-WDEREUQCSA-N 1 1 182.311 1.470 50 0 biogenic ADAAMO C[NH2+]C[C@@H]1CCCN2CCCC[C@@H]12 75611260 168007964 /nfs/dbraw/zinc/00/79/64/168007964.db2.gz FMDVQPTUYDTXHO-QWRGUYRKSA-N 1 1 182.311 1.470 50 0 ADAAMO C[NH2+]C[C@H]1CCCN2CCCC[C@@H]12 170609431 168011974 /nfs/dbraw/zinc/01/19/74/168011974.db2.gz FMDVQPTUYDTXHO-MNOVXSKESA-N 1 1 182.311 1.470 50 0 ADAAMO C[NH2+]C[C@H]1CCCN2CCCC[C@H]12 72220528 168013448 /nfs/dbraw/zinc/01/34/48/168013448.db2.gz FMDVQPTUYDTXHO-GHMZBOCLSA-N 1 1 182.311 1.470 50 0 ADAAMO C[NH2+]Cc1ccc2nc[nH]c2c1 12370313 168017969 /nfs/dbraw/zinc/01/79/69/168017969.db2.gz MPAIZHGFGBOOQJ-UHFFFAOYSA-N 1 1 161.208 1.282 50 0 ADAAMO C[NH2+]Cc1ccc2c(c1)CN(C)C2 19088808 168018917 /nfs/dbraw/zinc/01/89/17/168018917.db2.gz WCPFNQUISYJYBC-UHFFFAOYSA-N 1 1 176.263 1.351 50 0 in-vitro ADAAMO C[NH2+]Cc1nc2ccc(C)cc2[nH]1 15635435 168021821 /nfs/dbraw/zinc/02/18/21/168021821.db2.gz CPBXKMCOBFSSIA-UHFFFAOYSA-N 1 1 175.235 1.591 50 0 in-vitro ADAAMO C[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 4453802 168022461 /nfs/dbraw/zinc/02/24/61/168022461.db2.gz XUJLTGGMKFCUHT-UHFFFAOYSA-N 1 1 195.653 1.936 50 0 ADAAMO C[NH2+]Cc1nc2cccc(C)c2[nH]1 19088568 168022490 /nfs/dbraw/zinc/02/24/90/168022490.db2.gz VEPJFOVPRVBOLW-UHFFFAOYSA-N 1 1 175.235 1.591 50 0 in-vitro ADAAMO C[NH2+]Cc1nn(C)c(Cl)c1Cl 12394335 168022884 /nfs/dbraw/zinc/02/28/84/168022884.db2.gz BZCOKHMJGURDCV-UHFFFAOYSA-N 1 1 194.065 1.446 50 0 ADAAMO C[NH2+]Cc1nc2ccc(OC)cc2[nH]1 22122080 168023365 /nfs/dbraw/zinc/02/33/65/168023365.db2.gz TYRXYRRZMCFZLW-UHFFFAOYSA-N 1 1 191.234 1.291 50 0 ADAAMO C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 42013497 168023375 /nfs/dbraw/zinc/02/33/75/168023375.db2.gz JPLQZELVOBDEHF-UHFFFAOYSA-N 1 1 188.234 1.191 50 0 ADAAMO C[NH2+]Cc1nc2ccc(F)cc2[nH]1 19088565 168023526 /nfs/dbraw/zinc/02/35/26/168023526.db2.gz FZASFRJAUREQIL-UHFFFAOYSA-N 1 1 179.198 1.421 50 0 in-vitro ADAAMO C[NH2+]Cc1nc(C2CCCC2)no1 37756514 168023754 /nfs/dbraw/zinc/02/37/54/168023754.db2.gz VVIZCXOQKQOCMG-UHFFFAOYSA-N 1 1 181.239 1.447 50 0 ADAAMO C[NH2+]Cc1ncc(C2CC2)o1 83555138 168023997 /nfs/dbraw/zinc/02/39/97/168023997.db2.gz GDMMWBWTRPJYJP-UHFFFAOYSA-N 1 1 152.197 1.271 50 0 in-vitro ADAAMO C[NH2+]Cc1noc(-c2ccccc2)n1 19089859 168027200 /nfs/dbraw/zinc/02/72/00/168027200.db2.gz ALHZMUMXANRXSM-UHFFFAOYSA-N 1 1 189.218 1.456 50 0 in-vitro ADAAMO C[NH2+][C@@H](C)c1nc(C(F)(F)F)no1 66324314 168034239 /nfs/dbraw/zinc/03/42/39/168034239.db2.gz YTQCAWOTIRJHDK-VKHMYHEASA-N 1 1 195.144 1.369 50 0 ADAAMO C[NH2+][C@@H](CN)c1ccc(F)cc1 50269848 168037004 /nfs/dbraw/zinc/03/70/04/168037004.db2.gz GSNWKFMRWMKZKJ-VIFPVBQESA-N 1 1 168.215 1.045 50 0 in-vitro ADAAMO C[NH2+][C@@H](CN1CCCC1)C(C)(C)C 38202334 168037047 /nfs/dbraw/zinc/03/70/47/168037047.db2.gz LJLVINSPTFHSKF-JTQLQIEISA-N 1 1 184.327 1.716 50 0 in-vitro ADAAMO C[NH2+][C@@H]1CCCc2[nH]ncc21 20439236 168040292 /nfs/dbraw/zinc/04/02/92/168040292.db2.gz ISHKSHBTYCDAOS-SSDOTTSWSA-N 1 1 151.213 1.007 50 0 ADAAMO C[NH2+][C@@H]1CCCC[C@H]1N1CCCC1 39629166 168042067 /nfs/dbraw/zinc/04/20/67/168042067.db2.gz MFOLKXSQEXMDIR-GHMZBOCLSA-N 1 1 182.311 1.613 50 0 ADAAMO C[NH2+][C@H](C)c1nc(C(F)(F)F)no1 66324315 168052408 /nfs/dbraw/zinc/05/24/08/168052408.db2.gz YTQCAWOTIRJHDK-GSVOUGTGSA-N 1 1 195.144 1.369 50 0 ADAAMO C[NH2+][C@H](CN)c1ccc(F)cc1 50269849 168053453 /nfs/dbraw/zinc/05/34/53/168053453.db2.gz GSNWKFMRWMKZKJ-SECBINFHSA-N 1 1 168.215 1.045 50 0 in-vitro ADAAMO C[NH2+][C@H](CN1CCCC1)C(C)(C)C 39982810 168053734 /nfs/dbraw/zinc/05/37/34/168053734.db2.gz LJLVINSPTFHSKF-SNVBAGLBSA-N 1 1 184.327 1.716 50 0 in-vitro ADAAMO C[NH2+][C@H]1CCCc2[nH]ncc21 20439240 168056648 /nfs/dbraw/zinc/05/66/48/168056648.db2.gz ISHKSHBTYCDAOS-ZETCQYMHSA-N 1 1 151.213 1.007 50 0 ADAAMO CNc1cc(C)[nH+]c(C(C)C)n1 4050783 168064272 /nfs/dbraw/zinc/06/42/72/168064272.db2.gz XMHOKWKIIVOLIZ-UHFFFAOYSA-N 1 1 165.240 1.950 50 0 ADAAMO CNc1ccc[nH+]c1N(C)C 62796806 168067977 /nfs/dbraw/zinc/06/79/77/168067977.db2.gz FDYNVUGZXKGSHY-UHFFFAOYSA-N 1 1 151.213 1.189 50 0 in-vitro ADAAMO CNc1cccc2[nH+]c[nH]c12 76208199 168068277 /nfs/dbraw/zinc/06/82/77/168068277.db2.gz UZISZGOHRVXCLK-UHFFFAOYSA-N 1 1 147.181 1.605 50 0 in-vitro ADAAMO CNc1ccc[nH+]c1N1CCCC1 62796735 168068822 /nfs/dbraw/zinc/06/88/22/168068822.db2.gz BKAIXXXTRBCARD-UHFFFAOYSA-N 1 1 177.251 1.724 50 0 in-vitro ADAAMO CNc1cc[nH+]cc1Br 39120796 168069187 /nfs/dbraw/zinc/06/91/87/168069187.db2.gz CDKSEZAZZNDVCY-UHFFFAOYSA-N 1 1 187.040 1.886 50 0 in-vitro ADAAMO CNc1[nH+]cccc1C 34078099 168071890 /nfs/dbraw/zinc/07/18/90/168071890.db2.gz CCLYAMRVRNNGEV-UHFFFAOYSA-N 1 1 122.171 1.432 50 0 in-vitro ADAAMO CNc1[nH]c2ccccc2[nH+]1 39693 168072618 /nfs/dbraw/zinc/07/26/18/168072618.db2.gz ALBBQFWHUCTZFM-UHFFFAOYSA-N 1 1 147.181 1.605 50 0 in-vitro ADAAMO CNc1[nH+]c2ccccc2n1C 2541024 168072995 /nfs/dbraw/zinc/07/29/95/168072995.db2.gz SDXJSNHZYJUECQ-UHFFFAOYSA-N 1 1 161.208 1.615 50 0 in-vitro ADAAMO COC(=[NH2+])c1ccc(C)cc1 37927967 168076189 /nfs/dbraw/zinc/07/61/89/168076189.db2.gz IMIWDCNFWJFIKT-UHFFFAOYSA-N 1 1 149.193 1.967 50 0 ADAAMO COC(=[NH2+])C[C@H]1CCOC1 157506498 168076208 /nfs/dbraw/zinc/07/62/08/168076208.db2.gz OULUITAUHPBKQV-ZCFIWIBFSA-N 1 1 143.186 1.037 50 0 in-vitro ADAAMO COC(=[NH2+])Cc1ccccc1 100067805 168076454 /nfs/dbraw/zinc/07/64/54/168076454.db2.gz GKRCMFSWPXMFMA-UHFFFAOYSA-N 1 1 149.193 1.853 50 0 ADAAMO COC(=[NH2+])C[C@@H]1CCOC1 157506349 168076730 /nfs/dbraw/zinc/07/67/30/168076730.db2.gz OULUITAUHPBKQV-LURJTMIESA-N 1 1 143.186 1.037 50 0 in-vitro ADAAMO COC(=[NH2+])c1ccccc1 100009446 168077132 /nfs/dbraw/zinc/07/71/32/168077132.db2.gz SISQKQNJHCDULL-UHFFFAOYSA-N 1 1 135.166 1.658 50 0 in-vitro ADAAMO COC(=O)/C=C/c1cc(C)c[nH+]c1N 66054209 168078683 /nfs/dbraw/zinc/07/86/83/168078683.db2.gz CPHYEAKEGDBOMK-ONEGZZNKSA-N 1 1 192.218 1.158 50 0 ADAAMO COC(=O)C(C)(C)[NH2+]CC(C)C 37085306 168079801 /nfs/dbraw/zinc/07/98/01/168079801.db2.gz GBHRDLRGJKFSAA-UHFFFAOYSA-N 1 1 173.256 1.184 50 0 ADAAMO COC(=O)CC[N@@H+](C)Cc1ccco1 35122383 168086587 /nfs/dbraw/zinc/08/65/87/168086587.db2.gz HLYYUQPUMYMIKI-UHFFFAOYSA-N 1 1 197.234 1.275 50 0 ADAAMO COC(=O)CCNc1cccc(C)[nH+]1 37753350 168086829 /nfs/dbraw/zinc/08/68/29/168086829.db2.gz GHPNFPVRTDNHJV-UHFFFAOYSA-N 1 1 194.234 1.365 50 0 in-vitro ADAAMO COC(=O)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 2654091 168086877 /nfs/dbraw/zinc/08/68/77/168086877.db2.gz FUUMWUPPJNZKOJ-AOOOYVTPSA-N 1 1 199.294 1.527 50 0 ADAAMO COC(=O)CC[N@H+]1[C@@H](C)CCC[C@H]1C 20433394 168087541 /nfs/dbraw/zinc/08/75/41/168087541.db2.gz WQTQTYMJDRTYQY-AOOOYVTPSA-N 1 1 199.294 1.812 50 0 ADAAMO COC(=O)CC[N@H+]1CCCC[C@@H]1C 1718813 168087768 /nfs/dbraw/zinc/08/77/68/168087768.db2.gz PJCRNZVEJBXMEZ-VIFPVBQESA-N 1 1 185.267 1.424 50 0 ADAAMO COC(=O)CC[N@H+]1CCCC[C@H]1C 4896011 168088091 /nfs/dbraw/zinc/08/80/91/168088091.db2.gz PJCRNZVEJBXMEZ-SECBINFHSA-N 1 1 185.267 1.424 50 0 ADAAMO COC(=O)C[N@@H+](C)C1CCCCC1 14218085 168088412 /nfs/dbraw/zinc/08/84/12/168088412.db2.gz ASCDCEMEROKJMF-UHFFFAOYSA-N 1 1 185.267 1.424 50 0 ADAAMO COC(=O)C[N@@H+](C)C1CCCC1 37022455 168090043 /nfs/dbraw/zinc/09/00/43/168090043.db2.gz NLSRFHJDTSQIMG-UHFFFAOYSA-N 1 1 171.240 1.034 50 0 ADAAMO COC(=O)C[NH2+]C1CCCCC1 19885679 168090907 /nfs/dbraw/zinc/09/09/07/168090907.db2.gz AGQPELVTVMBVBI-UHFFFAOYSA-N 1 1 171.240 1.082 50 0 ADAAMO COC(=O)C[N@H+]1[C@@H](C)CCC[C@H]1C 14194251 168091730 /nfs/dbraw/zinc/09/17/30/168091730.db2.gz BNVZCXZXMXKNOP-DTORHVGOSA-N 1 1 185.267 1.422 50 0 ADAAMO COC(=O)[C@@H](C)C[N@H+]1CCC[C@H](C)C1 225230490 168106462 /nfs/dbraw/zinc/10/64/62/168106462.db2.gz WZKWRCFMDWAEAM-UWVGGRQHSA-N 1 1 199.294 1.527 50 0 ADAAMO COC(=O)[C@@H]([NH3+])[C@H](C)c1ccccc1 34501008 168106730 /nfs/dbraw/zinc/10/67/30/168106730.db2.gz ZJFJLPKBPJMENH-SCZZXKLOSA-N 1 1 193.246 1.290 50 0 biogenic ADAAMO COC(=O)[C@@H]([NH3+])[C@@H](C)c1ccccc1 34501005 168107546 /nfs/dbraw/zinc/10/75/46/168107546.db2.gz ZJFJLPKBPJMENH-WPRPVWTQSA-N 1 1 193.246 1.290 50 0 biogenic ADAAMO COC(=O)[C@@H]([NH3+])CC1CCCC1 69553552 168107745 /nfs/dbraw/zinc/10/77/45/168107745.db2.gz RZAFJDYKEFALQU-QMMMGPOBSA-N 1 1 171.240 1.067 50 0 in-vitro ADAAMO COC(=O)[C@@H]([NH3+])CCc1ccccc1 2511758 168108037 /nfs/dbraw/zinc/10/80/37/168108037.db2.gz YEPNFOMBMXWUOG-JTQLQIEISA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO COC(=O)[C@@H]([NH3+])CC1CCCCC1 52521506 168108435 /nfs/dbraw/zinc/10/84/35/168108435.db2.gz XPEUJVMSARYTLS-VIFPVBQESA-N 1 1 185.267 1.457 50 0 in-vitro ADAAMO COC(=O)[C@@H]([NH3+])Cc1ccccc1C 57489010 168108649 /nfs/dbraw/zinc/10/86/49/168108649.db2.gz KXWBUUKZTWGWCG-JTQLQIEISA-N 1 1 193.246 1.038 50 0 ADAAMO COC(=O)[C@@](C)([NH3+])Cc1ccccc1 19594739 168113718 /nfs/dbraw/zinc/11/37/18/168113718.db2.gz DAOFJPZFGBKAMZ-NSHDSACASA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](C)C1 35133511 168116794 /nfs/dbraw/zinc/11/67/94/168116794.db2.gz WZKWRCFMDWAEAM-NXEZZACHSA-N 1 1 199.294 1.527 50 0 ADAAMO COC(=O)[C@H](C)[NH2+]C1CCCCC1 37073935 168116971 /nfs/dbraw/zinc/11/69/71/168116971.db2.gz CYYHAJIYMLADAX-QMMMGPOBSA-N 1 1 185.267 1.470 50 0 ADAAMO COC(=O)[C@H](C)C[N@H+]1CCC[C@H](C)C1 35133512 168117664 /nfs/dbraw/zinc/11/76/64/168117664.db2.gz WZKWRCFMDWAEAM-VHSXEESVSA-N 1 1 199.294 1.527 50 0 ADAAMO COC(=O)[C@H]([NH3+])CCc1ccccc1 34534590 168118674 /nfs/dbraw/zinc/11/86/74/168118674.db2.gz YEPNFOMBMXWUOG-SNVBAGLBSA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO COC(=O)[C@H]([NH3+])[C@@H](C)c1ccccc1 41046464 168118870 /nfs/dbraw/zinc/11/88/70/168118870.db2.gz ZJFJLPKBPJMENH-WCBMZHEXSA-N 1 1 193.246 1.290 50 0 biogenic ADAAMO COC(=O)[C@H]([NH3+])CC1CCCCC1 52521505 168119696 /nfs/dbraw/zinc/11/96/96/168119696.db2.gz XPEUJVMSARYTLS-SECBINFHSA-N 1 1 185.267 1.457 50 0 in-vitro ADAAMO COC(=O)[C@H]([NH3+])[C@H](C)c1ccccc1 41046465 168119989 /nfs/dbraw/zinc/11/99/89/168119989.db2.gz ZJFJLPKBPJMENH-PSASIEDQSA-N 1 1 193.246 1.290 50 0 biogenic ADAAMO COC(=O)[C@](C)([NH3+])Cc1ccccc1 19594740 168123981 /nfs/dbraw/zinc/12/39/81/168123981.db2.gz DAOFJPZFGBKAMZ-LLVKDONJSA-N 1 1 193.246 1.120 50 0 in-vitro ADAAMO COC(=O)c1cccn2c[nH+]cc12 38671683 168134944 /nfs/dbraw/zinc/13/49/44/168134944.db2.gz AHAGTFJLGJGKNN-UHFFFAOYSA-N 1 1 176.175 1.121 50 0 ADAAMO COCCC/C=C/[NH+]1CCOCC1 102313468 168152666 /nfs/dbraw/zinc/15/26/66/168152666.db2.gz LVKBDFKFJBWERV-HWKANZROSA-N 1 1 185.267 1.259 50 0 ADAAMO COCCCCc1ccc[nH+]c1N 69944269 168153587 /nfs/dbraw/zinc/15/35/87/168153587.db2.gz JLWHDRNYEMMDKA-UHFFFAOYSA-N 1 1 180.251 1.633 50 0 in-vitro ADAAMO COCCCNc1ccc(N)c[nH+]1 19952834 168155710 /nfs/dbraw/zinc/15/57/10/168155710.db2.gz UBMBXZSCFJLQSW-UHFFFAOYSA-N 1 1 181.239 1.112 50 0 ADAAMO COCCCNc1[nH+]cccc1N 20278598 168155836 /nfs/dbraw/zinc/15/58/36/168155836.db2.gz UQPMSMPSRVJHRR-UHFFFAOYSA-N 1 1 181.239 1.112 50 0 ADAAMO COCC[N@@H+](C[C@H]1CCOC1)C1CC1 58403843 168159851 /nfs/dbraw/zinc/15/98/51/168159851.db2.gz FUDRKEFPYFQRRB-SNVBAGLBSA-N 1 1 199.294 1.134 50 0 ADAAMO COCC[N@@H+](Cc1ccco1)C1CC1 58196260 168160489 /nfs/dbraw/zinc/16/04/89/168160489.db2.gz HBGAECWTSPGZLU-UHFFFAOYSA-N 1 1 195.262 1.890 50 0 ADAAMO COCC[N@H+]1CCC(=O)[C@H]2CCC[C@H]21 216060467 168160793 /nfs/dbraw/zinc/16/07/93/168160793.db2.gz IUOLYOXUZNUQQK-VHSXEESVSA-N 1 1 197.278 1.076 50 0 ADAAMO COCC[N@H+]1CCC(=O)[C@@H]2CCC[C@H]21 216060421 168161251 /nfs/dbraw/zinc/16/12/51/168161251.db2.gz IUOLYOXUZNUQQK-NXEZZACHSA-N 1 1 197.278 1.076 50 0 ADAAMO COCC[N@@H+](C[C@@H]1CCOC1)C1CC1 58403841 168161993 /nfs/dbraw/zinc/16/19/93/168161993.db2.gz FUDRKEFPYFQRRB-JTQLQIEISA-N 1 1 199.294 1.134 50 0 ADAAMO COCC[N@H+]1CCc2ccccc2C1 32843096 168163179 /nfs/dbraw/zinc/16/31/79/168163179.db2.gz SZZCXBDPQVOLHE-UHFFFAOYSA-N 1 1 191.274 1.691 50 0 ADAAMO COCC[N@H+]1Cc2cccc(N)c2C1 11730931 168164267 /nfs/dbraw/zinc/16/42/67/168164267.db2.gz LIOIKDHMWUEJNK-UHFFFAOYSA-N 1 1 192.262 1.231 50 0 in-vitro ADAAMO COCCNc1[nH]c2ccccc2[nH+]1 7343731 168169272 /nfs/dbraw/zinc/16/92/72/168169272.db2.gz VTUYRTRJDHAFLL-UHFFFAOYSA-N 1 1 191.234 1.621 50 0 in-vitro ADAAMO COCC[C@@H]1CCCC[N@H+]1C 15442130 168173739 /nfs/dbraw/zinc/17/37/39/168173739.db2.gz SZEYRCDTSYNTIC-VIFPVBQESA-N 1 1 157.257 1.507 50 0 ADAAMO COCC[C@H]1CCCC[N@H+]1C 15442131 168175483 /nfs/dbraw/zinc/17/54/83/168175483.db2.gz SZEYRCDTSYNTIC-SECBINFHSA-N 1 1 157.257 1.507 50 0 ADAAMO COCc1noc([C@H]2CCCC[NH2+]2)n1 45893118 168197991 /nfs/dbraw/zinc/19/79/91/168197991.db2.gz FPJTUGAXUNGAOZ-SSDOTTSWSA-N 1 1 197.238 1.031 50 0 ADAAMO COCc1noc([C@@H]2CCCC[NH2+]2)n1 45893113 168198310 /nfs/dbraw/zinc/19/83/10/168198310.db2.gz FPJTUGAXUNGAOZ-ZETCQYMHSA-N 1 1 197.238 1.031 50 0 ADAAMO COc1c(C)c[nH+]c(CO)c1C 169159 168223255 /nfs/dbraw/zinc/22/32/55/168223255.db2.gz PSEPRWKZZJWRCB-UHFFFAOYSA-N 1 1 167.208 1.199 50 0 in-vitro ADAAMO COc1cc(Cl)cc(C(=O)C[NH3+])c1 98210447 168233942 /nfs/dbraw/zinc/23/39/42/168233942.db2.gz KHERFHXMXZPIPF-UHFFFAOYSA-N 1 1 199.637 1.490 50 0 ADAAMO COc1cc2[nH]c(C)[nH+]c2cc1OC 246411 168243574 /nfs/dbraw/zinc/24/35/74/168243574.db2.gz UZXACZRAUVKJFI-UHFFFAOYSA-N 1 1 192.218 1.889 50 0 ADAAMO COc1ccc(C[N@@H+](C)CCO)cc1 38916733 168248642 /nfs/dbraw/zinc/24/86/42/168248642.db2.gz WZEZFODKNYQNDO-UHFFFAOYSA-N 1 1 195.262 1.119 50 0 ADAAMO COc1ccc(C=O)cc1C[NH+](C)C 4237833 168249043 /nfs/dbraw/zinc/24/90/43/168249043.db2.gz XFKLXGABLWFCLC-UHFFFAOYSA-N 1 1 193.246 1.569 50 0 in-vitro ADAAMO COc1ccc(C[NH3+])cc1CN(C)C 22200867 168250470 /nfs/dbraw/zinc/25/04/70/168250470.db2.gz MBSQDBANHIMZOO-UHFFFAOYSA-N 1 1 194.278 1.216 50 0 ADAAMO COc1ccc([C@@H]([NH3+])C(F)F)cc1 20475290 168258377 /nfs/dbraw/zinc/25/83/77/168258377.db2.gz NHQIYKVNUPUUCC-MRVPVSSYSA-N 1 1 187.189 1.960 50 0 ADAAMO COc1ccc([C@H]([NH3+])C(F)F)cc1 20475291 168259280 /nfs/dbraw/zinc/25/92/80/168259280.db2.gz NHQIYKVNUPUUCC-QMMMGPOBSA-N 1 1 187.189 1.960 50 0 ADAAMO COc1ccc2c(c1)C[NH2+]CCC2=O 66055303 168261173 /nfs/dbraw/zinc/26/11/73/168261173.db2.gz ROMCWLQFDZAHSR-UHFFFAOYSA-N 1 1 191.230 1.371 50 0 ADAAMO COc1ccc2c(n1)SCC(=[NH2+])N2 13209220 168265589 /nfs/dbraw/zinc/26/55/89/168265589.db2.gz UVHCJTYFEBAOIK-UHFFFAOYSA-N 1 1 195.247 1.185 50 0 ADAAMO COc1ccc2[nH+]ccn2c1 35564975 168265967 /nfs/dbraw/zinc/26/59/67/168265967.db2.gz HLTPJCOHIDPWTP-UHFFFAOYSA-N 1 1 148.165 1.343 50 0 in-vitro ADAAMO COc1ccc2[nH+]ccc(N)c2n1 39089941 168266032 /nfs/dbraw/zinc/26/60/32/168266032.db2.gz VUHCPMIDSUGHNO-UHFFFAOYSA-N 1 1 175.191 1.221 50 0 in-vitro ADAAMO COc1ccc2oc(C[NH3+])nc2c1 19092651 168266492 /nfs/dbraw/zinc/26/64/92/168266492.db2.gz YTJKOTYLRCBOCX-UHFFFAOYSA-N 1 1 178.191 1.295 50 0 ADAAMO COc1ccc2nc(C[NH3+])[nH]c2c1 19088674 168266591 /nfs/dbraw/zinc/26/65/91/168266591.db2.gz FVXQBRISRBHAAL-UHFFFAOYSA-N 1 1 177.207 1.030 50 0 ADAAMO COc1ccc2[nH+]c3n(c2c1)CCN3 5285676 168266793 /nfs/dbraw/zinc/26/67/93/168266793.db2.gz KCIUMNRQNYULGF-UHFFFAOYSA-N 1 1 189.218 1.470 50 0 ADAAMO COc1cccc(C(F)(F)C[NH3+])n1 238363914 168268214 /nfs/dbraw/zinc/26/82/14/168268214.db2.gz SHGIBWPSNUWIMP-UHFFFAOYSA-N 1 1 188.177 1.141 50 0 in-vitro ADAAMO COc1cccc(C(F)(F)C[NH3+])c1 95774103 168268421 /nfs/dbraw/zinc/26/84/21/168268421.db2.gz FANXSHUKJALBIL-UHFFFAOYSA-N 1 1 187.189 1.746 50 0 ADAAMO COc1cccc(CNCCC[NH3+])c1 32920022 168269699 /nfs/dbraw/zinc/26/96/99/168269699.db2.gz HUOXPDWSSCBNHT-UHFFFAOYSA-N 1 1 194.278 1.134 50 0 ADAAMO COc1cccc2[nH]c(N)[nH+]c12 95643266 168275710 /nfs/dbraw/zinc/27/57/10/168275710.db2.gz JXZONHOHNHEXOQ-UHFFFAOYSA-N 1 1 163.180 1.154 50 0 in-vitro ADAAMO COc1cccc2c1[nH+]c(N)n2C 95829709 168275731 /nfs/dbraw/zinc/27/57/31/168275731.db2.gz RNJUSLPNRVXPPT-UHFFFAOYSA-N 1 1 177.207 1.164 50 0 in-vitro ADAAMO COc1cc[nH+]c(C)c1 8549314 168278077 /nfs/dbraw/zinc/27/80/77/168278077.db2.gz MWVSSYOXUWYVTJ-UHFFFAOYSA-N 1 1 123.155 1.399 50 0 in-vitro ADAAMO COc1ccccc1[C@H]1COCC[NH2+]1 2529110 168278523 /nfs/dbraw/zinc/27/85/23/168278523.db2.gz YRWHPTGNKPPZDT-SNVBAGLBSA-N 1 1 193.246 1.356 50 0 in-vitro ADAAMO COc1cc[nH+]c(C)c1OC 32298947 168278682 /nfs/dbraw/zinc/27/86/82/168278682.db2.gz VPGBIRMKRPLRKJ-UHFFFAOYSA-N 1 1 153.181 1.407 50 0 ADAAMO COc1cc[nH+]cc1C 21985732 168279090 /nfs/dbraw/zinc/27/90/90/168279090.db2.gz NCBHMODQBDKRJC-UHFFFAOYSA-N 1 1 123.155 1.399 50 0 ADAAMO CSCCC[N@@H+](C)CCN(C)C 22044986 168301307 /nfs/dbraw/zinc/30/13/07/168301307.db2.gz NKGMDZFPUOPHQU-UHFFFAOYSA-N 1 1 190.356 1.233 50 0 ADAAMO CSCCCN(C)CC[NH+](C)C 22044986 168301309 /nfs/dbraw/zinc/30/13/09/168301309.db2.gz NKGMDZFPUOPHQU-UHFFFAOYSA-N 1 1 190.356 1.233 50 0 ADAAMO CSCC[C@H]([NH3+])c1nc(C)no1 20022570 168302780 /nfs/dbraw/zinc/30/27/80/168302780.db2.gz XUOCWYAFVAJIBZ-LURJTMIESA-N 1 1 187.268 1.131 50 0 ADAAMO CSCC[C@@H]([NH3+])c1nc(C)no1 20022567 168302950 /nfs/dbraw/zinc/30/29/50/168302950.db2.gz XUOCWYAFVAJIBZ-ZCFIWIBFSA-N 1 1 187.268 1.131 50 0 ADAAMO CSCC[C@H]([NH3+])C(=O)OC(C)C 56958870 168303588 /nfs/dbraw/zinc/30/35/88/168303588.db2.gz WLUAUPQSKOQURS-ZETCQYMHSA-N 1 1 191.296 1.018 50 0 in-vitro ADAAMO CS[C@H]1CC[N@H+]([C@H]2CCOC2)C1 328600327 168307403 /nfs/dbraw/zinc/30/74/03/168307403.db2.gz WVQHVTNKCZXGFX-IUCAKERBSA-N 1 1 187.308 1.213 50 0 ADAAMO CS[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 328600326 168307860 /nfs/dbraw/zinc/30/78/60/168307860.db2.gz WVQHVTNKCZXGFX-DTWKUNHWSA-N 1 1 187.308 1.213 50 0 ADAAMO CS[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 328600325 168307999 /nfs/dbraw/zinc/30/79/99/168307999.db2.gz WVQHVTNKCZXGFX-BDAKNGLRSA-N 1 1 187.308 1.213 50 0 ADAAMO CS[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 328600328 168308307 /nfs/dbraw/zinc/30/83/07/168308307.db2.gz WVQHVTNKCZXGFX-RKDXNWHRSA-N 1 1 187.308 1.213 50 0 ADAAMO CSc1cc(N)cc[nH+]1 43569745 168309126 /nfs/dbraw/zinc/30/91/26/168309126.db2.gz MZSQIZRESVBKIM-UHFFFAOYSA-N 1 1 140.211 1.386 50 0 ADAAMO CSc1cc[nH+]c(N)c1 95950118 168312248 /nfs/dbraw/zinc/31/22/48/168312248.db2.gz SHKOHQASQCDXIB-UHFFFAOYSA-N 1 1 140.211 1.386 50 0 ADAAMO CSc1[nH+]cnc2[nH]ccc12 4762385 168316833 /nfs/dbraw/zinc/31/68/33/168316833.db2.gz IZKSNNFHBNOJFL-UHFFFAOYSA-N 1 1 165.221 1.680 50 0 ADAAMO CSc1nnc([C@@H]([NH3+])C(C)C)o1 533005 168318123 /nfs/dbraw/zinc/31/81/23/168318123.db2.gz ZHAHNLFMNNJIOH-YFKPBYRVSA-N 1 1 187.268 1.447 50 0 ADAAMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C)C1 32751279 168326323 /nfs/dbraw/zinc/32/63/23/168326323.db2.gz XFGMXWZXBFQKLU-ZJUUUORDSA-N 1 1 198.310 1.195 50 0 ADAAMO C[C@@H](C(=O)c1ccccc1)[NH+](C)C 467 168329152 /nfs/dbraw/zinc/32/91/52/168329152.db2.gz KBHMHROOFHVLBA-VIFPVBQESA-N 1 1 177.247 1.819 50 0 in-man ADAAMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCCCC1 61868475 168329866 /nfs/dbraw/zinc/32/98/66/168329866.db2.gz GXOCJACVCNPLGK-VIFPVBQESA-N 1 1 198.310 1.372 50 0 ADAAMO C[C@@H](CN)[NH2+]Cc1ccccc1 19366432 168344684 /nfs/dbraw/zinc/34/46/84/168344684.db2.gz LHNRUKBQFAJHLL-VIFPVBQESA-N 1 1 164.252 1.123 50 0 in-vitro ADAAMO C[C@@H](CN)[N@H+]1CCCC[C@H]1C 22463894 168345197 /nfs/dbraw/zinc/34/51/97/168345197.db2.gz PJDPNPWWAPAAII-BDAKNGLRSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@@H](C[NH3+])N1CCCC[C@H]1C 22463894 168345199 /nfs/dbraw/zinc/34/51/99/168345199.db2.gz PJDPNPWWAPAAII-BDAKNGLRSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@@H](C[NH3+])N1CCCCCC1 32497046 168345543 /nfs/dbraw/zinc/34/55/43/168345543.db2.gz LNUMREOZJKDEOF-VIFPVBQESA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@@H](CN)[N@H+]1CCC[C@@H](C)C1 38340204 168345626 /nfs/dbraw/zinc/34/56/26/168345626.db2.gz UZMIFBCNBIXTAN-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H](C[NH3+])N1CCC[C@@H](C)C1 38340204 168345628 /nfs/dbraw/zinc/34/56/28/168345628.db2.gz UZMIFBCNBIXTAN-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H](CN)[N@H+]1CCCC[C@@H]1C 19794309 168345856 /nfs/dbraw/zinc/34/58/56/168345856.db2.gz PJDPNPWWAPAAII-IUCAKERBSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@@H](C[NH3+])N1CCCC[C@@H]1C 19794309 168345860 /nfs/dbraw/zinc/34/58/60/168345860.db2.gz PJDPNPWWAPAAII-IUCAKERBSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@@H](CO)[N@H+]1CCC[C@@H](C)C1 15635676 168349829 /nfs/dbraw/zinc/34/98/29/168349829.db2.gz IVFMCLNSQCOKJU-BDAKNGLRSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO C[C@@H](CO)[N@H+]1CCCC[C@@H]1C 15635672 168350016 /nfs/dbraw/zinc/35/00/16/168350016.db2.gz UCTLHKSQISSPFT-IUCAKERBSA-N 1 1 157.257 1.242 50 0 in-vitro ADAAMO C[C@@H](CO)[N@H+]1CCCC[C@H]1C 34650833 168350350 /nfs/dbraw/zinc/35/03/50/168350350.db2.gz UCTLHKSQISSPFT-BDAKNGLRSA-N 1 1 157.257 1.242 50 0 in-vitro ADAAMO C[C@@H](CO)Nc1[nH]c2ccccc2[nH+]1 37756947 168352665 /nfs/dbraw/zinc/35/26/65/168352665.db2.gz NWPXPADGNDEEJL-ZETCQYMHSA-N 1 1 191.234 1.356 50 0 in-vitro ADAAMO C[C@@H]([NH3+])C(=O)OCc1ccccc1 34936500 168357718 /nfs/dbraw/zinc/35/77/18/168357718.db2.gz YGYLYUIRSJSFJS-MRVPVSSYSA-N 1 1 179.219 1.077 50 0 in-vitro ADAAMO C[C@@H](N)C[N@H+]1CCC[C@@H](C)C1 22168427 168362424 /nfs/dbraw/zinc/36/24/24/168362424.db2.gz OPSPNTUNGOXOIC-RKDXNWHRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H]([NH3+])CN1CCC[C@@H](C)C1 22168427 168362425 /nfs/dbraw/zinc/36/24/25/168362425.db2.gz OPSPNTUNGOXOIC-RKDXNWHRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H]([NH3+])CN1CCCCCC1 39170055 168363568 /nfs/dbraw/zinc/36/35/68/168363568.db2.gz OBBYUKKVCZUXOY-SECBINFHSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@@H](N)[C@H](c1ccccc1)[NH+](C)C 42900862 168367494 /nfs/dbraw/zinc/36/74/94/168367494.db2.gz LMTBPLOIFJDYEV-MWLCHTKSSA-N 1 1 178.279 1.637 50 0 in-vitro ADAAMO C[C@@H]([NH3+])c1ccc2[nH]cnc2c1 45820838 168369619 /nfs/dbraw/zinc/36/96/19/168369619.db2.gz DBAJKAVSAXBACO-ZCFIWIBFSA-N 1 1 161.208 1.583 50 0 ADAAMO C[C@@H]([NH3+])c1nc(C(F)(F)F)no1 82873168 168371271 /nfs/dbraw/zinc/37/12/71/168371271.db2.gz OLFUZLGSBDUCKG-UWTATZPHSA-N 1 1 181.117 1.108 50 0 ADAAMO C[C@@H]([NH3+])c1nc(-c2ccncc2)no1 19089591 168371609 /nfs/dbraw/zinc/37/16/09/168371609.db2.gz QGJJFECXVDIPCW-ZCFIWIBFSA-N 1 1 190.206 1.151 50 0 ADAAMO C[C@@H]([NH3+])c1nc(C2CCCC2)no1 37756549 168372014 /nfs/dbraw/zinc/37/20/14/168372014.db2.gz VGIMDPSRUOEZRT-ZCFIWIBFSA-N 1 1 181.239 1.747 50 0 in-vitro ADAAMO C[C@@H]([NH3+])c1nc(-c2ccccc2)no1 8729105 168372372 /nfs/dbraw/zinc/37/23/72/168372372.db2.gz DTIGPHKXQOPZJJ-SSDOTTSWSA-N 1 1 189.218 1.756 50 0 ADAAMO C[C@@H]([NH3+])c1nc(-c2cccnc2)no1 4503370 168372453 /nfs/dbraw/zinc/37/24/53/168372453.db2.gz SKYPROWPCJGPQF-ZCFIWIBFSA-N 1 1 190.206 1.151 50 0 in-vitro ADAAMO C[C@@H]([NH3+])c1nc(-c2ccccn2)no1 6801305 168372797 /nfs/dbraw/zinc/37/27/97/168372797.db2.gz HYOVNPOQTSTAQV-ZCFIWIBFSA-N 1 1 190.206 1.151 50 0 ADAAMO C[C@@H]([NH3+])c1nc(C(C)(C)C)no1 21015599 168373013 /nfs/dbraw/zinc/37/30/13/168373013.db2.gz DPDGWAPICYFNTM-RXMQYKEDSA-N 1 1 169.228 1.387 50 0 in-vitro ADAAMO C[C@@H]([NH3+])c1ncc(C(F)(F)F)[nH]1 36872128 168373925 /nfs/dbraw/zinc/37/39/25/168373925.db2.gz NHVNMNALXYHXDM-GSVOUGTGSA-N 1 1 179.145 1.448 50 0 ADAAMO C[C@@H]([NH3+])c1nnc(-c2ccccc2)o1 11586076 168374811 /nfs/dbraw/zinc/37/48/11/168374811.db2.gz VGJUTEOWTIPELS-SSDOTTSWSA-N 1 1 189.218 1.756 50 0 ADAAMO C[C@@H]([NH3+])c1nc2ccccc2o1 34939373 168375829 /nfs/dbraw/zinc/37/58/29/168375829.db2.gz RAMYOLVPQWSXTB-ZCFIWIBFSA-N 1 1 162.192 1.848 50 0 in-vitro ADAAMO C[C@@H]([NH2+]CCN)c1ccccc1 19366125 168380500 /nfs/dbraw/zinc/38/05/00/168380500.db2.gz PPLYZPAMMOECNS-SECBINFHSA-N 1 1 164.252 1.296 50 0 in-vitro ADAAMO C[C@@H](NCC[NH+](C)C)c1ccccn1 21961408 168380605 /nfs/dbraw/zinc/38/06/05/168380605.db2.gz TUUNCPPDLUENHP-SNVBAGLBSA-N 1 1 193.294 1.294 50 0 ADAAMO C[C@@H](NCC[NH+](C)C)c1ccncc1 22147152 168382355 /nfs/dbraw/zinc/38/23/55/168382355.db2.gz NJKLDKVSRPAXMJ-SNVBAGLBSA-N 1 1 193.294 1.294 50 0 ADAAMO C[C@@H](O)C[N@H+]1CCCC[C@H]1C 35193974 168392342 /nfs/dbraw/zinc/39/23/42/168392342.db2.gz SJVZIMJRRLNDLA-RKDXNWHRSA-N 1 1 157.257 1.242 50 0 ADAAMO C[C@@H](O)CNc1[nH]c2ccccc2[nH+]1 3276894 168395416 /nfs/dbraw/zinc/39/54/16/168395416.db2.gz PSVRXGARSFQENR-SSDOTTSWSA-N 1 1 191.234 1.356 50 0 in-vitro ADAAMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1C 14695442 168396980 /nfs/dbraw/zinc/39/69/80/168396980.db2.gz JOHKCJPJMSCFBX-BDAKNGLRSA-N 1 1 157.257 1.242 50 0 biogenic,in-vitro ADAAMO C[C@@H](O)C[C@H]1CCCC[N@H+]1C 14695445 168397543 /nfs/dbraw/zinc/39/75/43/168397543.db2.gz JOHKCJPJMSCFBX-RKDXNWHRSA-N 1 1 157.257 1.242 50 0 biogenic,in-vitro ADAAMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 38526294 168503844 /nfs/dbraw/zinc/50/38/44/168503844.db2.gz SSWHTEXLCLEUBQ-GFCCVEGCSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO C[C@H]([NH3+])C(=O)OCc1ccccc1 34936499 168545710 /nfs/dbraw/zinc/54/57/10/168545710.db2.gz YGYLYUIRSJSFJS-QMMMGPOBSA-N 1 1 179.219 1.077 50 0 in-vitro ADAAMO C[C@H](N)[C@@H](c1ccccc1)[NH+](C)C 42900854 168551626 /nfs/dbraw/zinc/55/16/26/168551626.db2.gz LMTBPLOIFJDYEV-ONGXEEELSA-N 1 1 178.279 1.637 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 16957857 168598348 /nfs/dbraw/zinc/59/83/48/168598348.db2.gz GJVNOZWJECMCHY-VIFPVBQESA-N 1 1 196.294 1.139 50 0 ADAAMO Cc1c[nH]nc1[C@@H]1CCCC[NH2+]1 35605746 168721146 /nfs/dbraw/zinc/72/11/46/168721146.db2.gz JIPFWMGIDPXMJE-QMMMGPOBSA-N 1 1 165.240 1.533 50 0 ADAAMO Cc1c[nH]nc1[C@H]1CCCC[NH2+]1 35605750 168722390 /nfs/dbraw/zinc/72/23/90/168722390.db2.gz JIPFWMGIDPXMJE-MRVPVSSYSA-N 1 1 165.240 1.533 50 0 ADAAMO Cc1cc(NN)c2ccccc2[nH+]1 15933399 168770957 /nfs/dbraw/zinc/77/09/57/168770957.db2.gz LYPXSDQQZREXLC-UHFFFAOYSA-N 1 1 173.219 1.829 50 0 in-vitro ADAAMO Cc1ccc([C@H]2CNCC[NH2+]2)cc1C 39115428 168843853 /nfs/dbraw/zinc/84/38/53/168843853.db2.gz DEVCAUSAFYFVHN-GFCCVEGCSA-N 1 1 190.290 1.537 50 0 ADAAMO Cc1cnc([C@H](C)[NH3+])o1 11587086 168909238 /nfs/dbraw/zinc/90/92/38/168909238.db2.gz BCZCRYDWZCGWIP-YFKPBYRVSA-N 1 1 126.159 1.003 50 0 in-vitro ADAAMO Cc1csc2c(NN)[nH+]cnc12 159993 168922304 /nfs/dbraw/zinc/92/23/04/168922304.db2.gz OYVFRPLAVKGESQ-UHFFFAOYSA-N 1 1 180.236 1.285 50 0 ADAAMO Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(F)C1 335313920 168929245 /nfs/dbraw/zinc/92/92/45/168929245.db2.gz YUNHBNGFRBIRFX-SNVBAGLBSA-N 1 1 197.257 1.652 50 0 ADAAMO Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(F)C1 335313920 168929246 /nfs/dbraw/zinc/92/92/46/168929246.db2.gz YUNHBNGFRBIRFX-SNVBAGLBSA-N 1 1 197.257 1.652 50 0 ADAAMO C[C@@H](N)[C@@H](c1ccccc1)[NH+](C)C 42900856 168365627 /nfs/dbraw/zinc/36/56/27/168365627.db2.gz LMTBPLOIFJDYEV-KOLCDFICSA-N 1 1 178.279 1.637 50 0 in-vitro ADAAMO Cc1nc2ccccc2[nH+]c1NN 5537440 168959307 /nfs/dbraw/zinc/95/93/07/168959307.db2.gz WAMINXJROBOJCS-UHFFFAOYSA-N 1 1 174.207 1.224 50 0 ADAAMO Cc1[nH+]cc2c(Cl)nccn12 15864745 168967635 /nfs/dbraw/zinc/96/76/35/168967635.db2.gz XWPLDMHOLZHIEB-UHFFFAOYSA-N 1 1 167.599 1.691 50 0 ADAAMO Cc1[nH+]ccn1-c1cccnc1 13607175 168974050 /nfs/dbraw/zinc/97/40/50/168974050.db2.gz MNHXJOCWNHZKLQ-UHFFFAOYSA-N 1 1 159.192 1.576 50 0 ADAAMO Cc1[nH+]ccn1CC1CC1 19139180 168974446 /nfs/dbraw/zinc/97/44/46/168974446.db2.gz DLYHDNUJIJBFPX-UHFFFAOYSA-N 1 1 136.198 1.602 50 0 ADAAMO Cc1nnc(C[NH+]2CCCCC2)o1 48332790 168990447 /nfs/dbraw/zinc/99/04/47/168990447.db2.gz UDYCGLUXKQMEGY-UHFFFAOYSA-N 1 1 181.239 1.364 50 0 ADAAMO Cc1nnc([C@@H]2CCCC[NH2+]2)o1 36154341 168992792 /nfs/dbraw/zinc/99/27/92/168992792.db2.gz ZKWQDFLBFZKITJ-ZETCQYMHSA-N 1 1 167.212 1.193 50 0 ADAAMO Cc1noc([C@@H]([NH3+])C(C)C)n1 21508234 169000097 /nfs/dbraw/zinc/00/00/97/169000097.db2.gz FXYRTTMATPBDLI-LURJTMIESA-N 1 1 155.201 1.034 50 0 in-vitro ADAAMO Cc1noc([C@@H]2CCCC[NH2+]2)n1 19089631 169001463 /nfs/dbraw/zinc/00/14/63/169001463.db2.gz ZIBMLRNNEACWHX-ZETCQYMHSA-N 1 1 167.212 1.193 50 0 in-vitro ADAAMO Cc1noc(N)c1C1=CC[N@@H+](C)CC1 75581341 169002084 /nfs/dbraw/zinc/00/20/84/169002084.db2.gz AOLZOODACUUEQH-UHFFFAOYSA-N 1 1 193.250 1.284 50 0 ADAAMO Cc1noc([C@H]2CCCC[NH2+]2)n1 19089634 169002497 /nfs/dbraw/zinc/00/24/97/169002497.db2.gz ZIBMLRNNEACWHX-SSDOTTSWSA-N 1 1 167.212 1.193 50 0 in-vitro ADAAMO Cc1noc([C@H]([NH3+])C(C)C)n1 21508232 169002899 /nfs/dbraw/zinc/00/28/99/169002899.db2.gz FXYRTTMATPBDLI-ZCFIWIBFSA-N 1 1 155.201 1.034 50 0 in-vitro ADAAMO Cc1nocc1C[N@@H+]1CCC[C@@H]1CF 334209786 169004264 /nfs/dbraw/zinc/00/42/64/169004264.db2.gz DBLVQJRHUJXMFY-SNVBAGLBSA-N 1 1 198.241 1.917 50 0 ADAAMO Cc1nocc1C[N@H+]1CCC[C@@H]1CF 334209786 169004266 /nfs/dbraw/zinc/00/42/66/169004266.db2.gz DBLVQJRHUJXMFY-SNVBAGLBSA-N 1 1 198.241 1.917 50 0 ADAAMO Cc1nocc1C[N@@H+]1CCC[C@H]1CF 334209783 169005747 /nfs/dbraw/zinc/00/57/47/169005747.db2.gz DBLVQJRHUJXMFY-JTQLQIEISA-N 1 1 198.241 1.917 50 0 ADAAMO Cc1nocc1C[N@H+]1CCC[C@H]1CF 334209783 169005748 /nfs/dbraw/zinc/00/57/48/169005748.db2.gz DBLVQJRHUJXMFY-JTQLQIEISA-N 1 1 198.241 1.917 50 0 ADAAMO Cc1oncc1Cn1cc[nH+]c1C 307744556 169014985 /nfs/dbraw/zinc/01/49/85/169014985.db2.gz PDVPNLLXRWPLBN-UHFFFAOYSA-N 1 1 177.207 1.536 50 0 ADAAMO Clc1ccnc2c1C[NH2+]C2 91366085 169026196 /nfs/dbraw/zinc/02/61/96/169026196.db2.gz WMBKIRYIBIRARZ-UHFFFAOYSA-N 1 1 154.600 1.338 50 0 ADAAMO Clc1nccnc1C[NH2+]C1CC1 66322946 169028533 /nfs/dbraw/zinc/02/85/33/169028533.db2.gz DQPLYIDVSXGUFJ-UHFFFAOYSA-N 1 1 183.642 1.382 50 0 ADAAMO Cn1c(N)[nH+]c2c(Cl)cccc21 95829667 169033765 /nfs/dbraw/zinc/03/37/65/169033765.db2.gz MCSSWSFNMXAEJY-UHFFFAOYSA-N 1 1 181.626 1.809 50 0 in-vitro ADAAMO Cn1cccc1[C@@H](CN)[NH+]1CCCC1 70636468 169050124 /nfs/dbraw/zinc/05/01/24/169050124.db2.gz WUTQHOXNRYJTGS-LLVKDONJSA-N 1 1 193.294 1.121 50 0 ADAAMO Cn1cccc1[C@H](CN)[NH+]1CCCC1 70636469 169050524 /nfs/dbraw/zinc/05/05/24/169050524.db2.gz WUTQHOXNRYJTGS-NSHDSACASA-N 1 1 193.294 1.121 50 0 ADAAMO Cn1c[nH+]c(-c2ccccc2)c1N 20380839 169053162 /nfs/dbraw/zinc/05/31/62/169053162.db2.gz MHXFPFAWRSKVLK-UHFFFAOYSA-N 1 1 173.219 1.669 50 0 in-vitro ADAAMO Cn1c[nH+]c(-c2ccc(F)cc2)c1N 47843708 169053321 /nfs/dbraw/zinc/05/33/21/169053321.db2.gz YWUPOZBLEYETGU-UHFFFAOYSA-N 1 1 191.209 1.808 50 0 ADAAMO Cn1c[nH+]c2c1CCCC2 19091573 169055845 /nfs/dbraw/zinc/05/58/45/169055845.db2.gz OBEFWOVHXQTYJK-UHFFFAOYSA-N 1 1 136.198 1.299 50 0 in-vitro ADAAMO Cn1c[nH+]c2cc(N)ccc21 577553 169058280 /nfs/dbraw/zinc/05/82/80/169058280.db2.gz IWBGBYZGEQUDBT-UHFFFAOYSA-N 1 1 147.181 1.156 50 0 ADAAMO FC(F)(F)c1cn2c(n1)C[NH2+]CC2 13566054 169072636 /nfs/dbraw/zinc/07/26/36/169072636.db2.gz RHYZIHOBSWRZDL-UHFFFAOYSA-N 1 1 191.156 1.005 50 0 in-vitro ADAAMO FC(F)[C@@H]1CCCC[NH2+]1 95774690 169073779 /nfs/dbraw/zinc/07/37/79/169073779.db2.gz NKADUAIXXKJUDE-YFKPBYRVSA-N 1 1 135.157 1.394 50 0 in-vitro ADAAMO FC(F)C[NH2+]C1CC1 36947939 169074017 /nfs/dbraw/zinc/07/40/17/169074017.db2.gz WVMHDNUVEBYCCW-UHFFFAOYSA-N 1 1 121.130 1.004 50 0 in-vitro ADAAMO FC(F)C[NH2+]C[C@@H]1CCC=CO1 95883672 169074131 /nfs/dbraw/zinc/07/41/31/169074131.db2.gz MFTQTZREHFMMFE-ZETCQYMHSA-N 1 1 177.194 1.534 50 0 in-vitro ADAAMO FC(F)C[NH2+]C1CCOCC1 37755924 169074297 /nfs/dbraw/zinc/07/42/97/169074297.db2.gz OENOGYJASIFZOB-UHFFFAOYSA-N 1 1 165.183 1.020 50 0 in-vitro ADAAMO FC(F)C[NH2+]C[C@H]1CCC=CO1 95883671 169074575 /nfs/dbraw/zinc/07/45/75/169074575.db2.gz MFTQTZREHFMMFE-SSDOTTSWSA-N 1 1 177.194 1.534 50 0 in-vitro ADAAMO FC(F)[C@H]1CCCC[NH2+]1 95774692 169074612 /nfs/dbraw/zinc/07/46/12/169074612.db2.gz NKADUAIXXKJUDE-RXMQYKEDSA-N 1 1 135.157 1.394 50 0 in-vitro ADAAMO FC1CCN(C2CC[NH2+]CC2)CC1 71257246 169075440 /nfs/dbraw/zinc/07/54/40/169075440.db2.gz HCOPLSQKRZCIPU-UHFFFAOYSA-N 1 1 186.274 1.172 50 0 ADAAMO FC1=CCC[N@@H+](C[C@@H]2CCOC2)C1 335630373 169075482 /nfs/dbraw/zinc/07/54/82/169075482.db2.gz RJJPGHLFYSFKSC-VIFPVBQESA-N 1 1 185.242 1.582 50 0 ADAAMO FC1(F)CCCC[NH2+]C1 91305855 169076026 /nfs/dbraw/zinc/07/60/26/169076026.db2.gz FVWMDLFXICQWEG-UHFFFAOYSA-N 1 1 135.157 1.395 50 0 in-vitro ADAAMO FC1(c2ccccc2)C[NH2+]C1 59243705 169076059 /nfs/dbraw/zinc/07/60/59/169076059.db2.gz KKQIRJHHNBEYIN-UHFFFAOYSA-N 1 1 151.184 1.455 50 0 in-vitro ADAAMO FC1=CCC[N@H+](CC2=CCCOC2)C1 335249622 169076467 /nfs/dbraw/zinc/07/64/67/169076467.db2.gz NKIRRAUWTPQIJH-UHFFFAOYSA-N 1 1 197.253 1.892 50 0 ADAAMO FC1=CCC[N@@H+](CC2=CCCOC2)C1 335249622 169076469 /nfs/dbraw/zinc/07/64/69/169076469.db2.gz NKIRRAUWTPQIJH-UHFFFAOYSA-N 1 1 197.253 1.892 50 0 ADAAMO FC1(F)CCC[NH2+]C1 2506774 169076525 /nfs/dbraw/zinc/07/65/25/169076525.db2.gz UOGQPXQDNUHUIB-UHFFFAOYSA-N 1 1 121.130 1.005 50 0 in-vitro ADAAMO FC1=CCC[N@@H+](C[C@H]2CCOC2)C1 335630372 169076617 /nfs/dbraw/zinc/07/66/17/169076617.db2.gz RJJPGHLFYSFKSC-SECBINFHSA-N 1 1 185.242 1.582 50 0 ADAAMO FC1(F)C[NH2+]CCC12CC2 91690880 169077073 /nfs/dbraw/zinc/07/70/73/169077073.db2.gz DANMIDBYWVUUPC-UHFFFAOYSA-N 1 1 147.168 1.395 50 0 in-vitro ADAAMO FC1CN(c2[nH+]cnc3[nH]ccc23)C1 335111297 169078163 /nfs/dbraw/zinc/07/81/63/169078163.db2.gz OHEZJEVRXZFZDC-UHFFFAOYSA-N 1 1 192.197 1.116 50 0 ADAAMO FC[C@@H]1CC[NH2+]CC1(F)F 110915960 169078775 /nfs/dbraw/zinc/07/87/75/169078775.db2.gz FJYIOHNOEAVWOW-YFKPBYRVSA-N 1 1 153.147 1.201 50 0 ADAAMO FCCn1c[nH+]c2c1CCCC2 124059751 169078883 /nfs/dbraw/zinc/07/88/83/169078883.db2.gz HHELDGSTSIPMDL-UHFFFAOYSA-N 1 1 168.215 1.731 50 0 ADAAMO FC[C@H]1CC[NH2+]CC1(F)F 110915965 169079814 /nfs/dbraw/zinc/07/98/14/169079814.db2.gz FJYIOHNOEAVWOW-RXMQYKEDSA-N 1 1 153.147 1.201 50 0 ADAAMO Fc1cc(F)cc([C@H]2COCC[NH2+]2)c1 76136632 169081285 /nfs/dbraw/zinc/08/12/85/169081285.db2.gz MRVDVOWEXQWUBH-SNVBAGLBSA-N 1 1 199.200 1.626 50 0 ADAAMO Fc1cc(F)cc([C@@H]2COCC[NH2+]2)c1 76136631 169082004 /nfs/dbraw/zinc/08/20/04/169082004.db2.gz MRVDVOWEXQWUBH-JTQLQIEISA-N 1 1 199.200 1.626 50 0 ADAAMO Fc1ccc(C[NH2+]C2COC2)cc1 71792156 169083226 /nfs/dbraw/zinc/08/32/26/169083226.db2.gz KFDVWDVIAVCYNZ-UHFFFAOYSA-N 1 1 181.210 1.314 50 0 ADAAMO Fc1ccc([C@@H]2COCC[NH2+]2)cc1 2513107 169085002 /nfs/dbraw/zinc/08/50/02/169085002.db2.gz VURZDWDKDQRYTJ-JTQLQIEISA-N 1 1 181.210 1.487 50 0 in-vitro ADAAMO Fc1ccc([C@H]2COCC[NH2+]2)cc1 11803313 169085009 /nfs/dbraw/zinc/08/50/09/169085009.db2.gz VURZDWDKDQRYTJ-SNVBAGLBSA-N 1 1 181.210 1.487 50 0 in-vitro ADAAMO Fc1cccc(C[NH2+]C2COC2)c1 71792155 169086454 /nfs/dbraw/zinc/08/64/54/169086454.db2.gz WRIFUSYZPCCAHO-UHFFFAOYSA-N 1 1 181.210 1.314 50 0 ADAAMO Fc1cccc([C@@H]2COCC[NH2+]2)c1 71498623 169087165 /nfs/dbraw/zinc/08/71/65/169087165.db2.gz HEADMLCVFDCVMU-JTQLQIEISA-N 1 1 181.210 1.487 50 0 ADAAMO Fc1ccccc1C[NH2+]C1COC1 76605041 169087693 /nfs/dbraw/zinc/08/76/93/169087693.db2.gz JFTZECJZUHUDCA-UHFFFAOYSA-N 1 1 181.210 1.314 50 0 ADAAMO Fc1cccc([C@H]2COCC[NH2+]2)c1 71498626 169088091 /nfs/dbraw/zinc/08/80/91/169088091.db2.gz HEADMLCVFDCVMU-SNVBAGLBSA-N 1 1 181.210 1.487 50 0 ADAAMO Fc1ccccc1[C@H]1COCC[NH2+]1 11803309 169089035 /nfs/dbraw/zinc/08/90/35/169089035.db2.gz DTLPOEHMACVZTQ-SNVBAGLBSA-N 1 1 181.210 1.487 50 0 ADAAMO Fc1ccccc1[C@@H]1COCC[NH2+]1 11803307 169089123 /nfs/dbraw/zinc/08/91/23/169089123.db2.gz DTLPOEHMACVZTQ-JTQLQIEISA-N 1 1 181.210 1.487 50 0 ADAAMO NC(=[NH2+])c1cc2ccccc2o1 33866788 169139097 /nfs/dbraw/zinc/13/90/97/169139097.db2.gz PDECXGQFPNZGGZ-UHFFFAOYSA-N 1 1 160.176 1.717 50 0 in-vitro ADAAMO [NH3+]C1C[C@@H]2CCC[C@H](C1)N2C1CC1 38343297 169174067 /nfs/dbraw/zinc/17/40/67/169174067.db2.gz HRBBQZVAAHKYHY-UQPYNNQESA-N 1 1 180.295 1.493 50 0 ADAAMO [NH3+]CC(=O)c1c(F)cccc1F 16158685 169176204 /nfs/dbraw/zinc/17/62/04/169176204.db2.gz CLJFCMPUSKIUHO-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1cccc2ccccc12 37633006 169176426 /nfs/dbraw/zinc/17/64/26/169176426.db2.gz QHMBKBAFLJNPNL-UHFFFAOYSA-N 1 1 185.226 1.981 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccc(F)c(F)c1 16159279 169176505 /nfs/dbraw/zinc/17/65/05/169176505.db2.gz YIEXLURINXOEEH-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccc(Cl)cc1 53993665 169176548 /nfs/dbraw/zinc/17/65/48/169176548.db2.gz KIFWACLIANOVDG-UHFFFAOYSA-N 1 1 169.611 1.481 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1cc(F)ccc1F 36156240 169176577 /nfs/dbraw/zinc/17/65/77/169176577.db2.gz VISIIIUWEAZFLE-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 ADAAMO [NH3+]CC(=O)c1cccc(F)c1F 83553809 169176593 /nfs/dbraw/zinc/17/65/93/169176593.db2.gz XFUOIJFBCWVICW-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccc(Cl)s1 36156271 169176609 /nfs/dbraw/zinc/17/66/09/169176609.db2.gz CRPDACSUKPQOQC-UHFFFAOYSA-N 1 1 175.640 1.543 50 0 ADAAMO [NH3+]CC(=O)c1cc2c(s1)CCCC2 39150642 169176671 /nfs/dbraw/zinc/17/66/71/169176671.db2.gz OXLILJCYRIUKCN-UHFFFAOYSA-N 1 1 195.287 1.768 50 0 ADAAMO [NH3+]CC(=O)c1cc(Cl)ccc1F 82588153 169176702 /nfs/dbraw/zinc/17/67/02/169176702.db2.gz TUSUBCZWLZIHBK-UHFFFAOYSA-N 1 1 187.601 1.621 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccccc1Cl 22008275 169176861 /nfs/dbraw/zinc/17/68/61/169176861.db2.gz VDSDKOOEBXFJCU-UHFFFAOYSA-N 1 1 169.611 1.481 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccc(OCCF)cc1 72226504 169176878 /nfs/dbraw/zinc/17/68/78/169176878.db2.gz WOGISUSMZBQAEL-UHFFFAOYSA-N 1 1 197.209 1.176 50 0 ADAAMO [NH3+]CC(=O)c1cc(F)cc(F)c1 16158688 169176989 /nfs/dbraw/zinc/17/69/89/169176989.db2.gz YYNOUPMEGGYLIK-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1ccc2ccccc2c1 52530300 169177100 /nfs/dbraw/zinc/17/71/00/169177100.db2.gz CYZIVKKJMQBWTF-UHFFFAOYSA-N 1 1 185.226 1.981 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1c(F)cccc1Cl 82880013 169177290 /nfs/dbraw/zinc/17/72/90/169177290.db2.gz PNPVTPRWXGQGRL-UHFFFAOYSA-N 1 1 187.601 1.621 50 0 ADAAMO [NH3+]CC(=O)c1ccc(F)cc1F 16158687 169177319 /nfs/dbraw/zinc/17/73/19/169177319.db2.gz ZATXLIJNSXGMBG-UHFFFAOYSA-N 1 1 171.146 1.106 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1cccc(Cl)c1 54965039 169177359 /nfs/dbraw/zinc/17/73/59/169177359.db2.gz PKPOPBYRCOSRSW-UHFFFAOYSA-N 1 1 169.611 1.481 50 0 in-vitro ADAAMO [NH3+]CC(=O)c1c[nH]c2ccccc12 54954856 169177497 /nfs/dbraw/zinc/17/74/97/169177497.db2.gz RBEUYOPWLNUISU-UHFFFAOYSA-N 1 1 174.203 1.309 50 0 in-vitro ADAAMO [NH3+]CCCN1CCC(F)(F)CC1 85652803 169182288 /nfs/dbraw/zinc/18/22/88/169182288.db2.gz QFGAZHYAXWTEQI-UHFFFAOYSA-N 1 1 178.226 1.066 50 0 ADAAMO [NH3+]CCCNCc1cccc(F)c1 32920024 169183542 /nfs/dbraw/zinc/18/35/42/169183542.db2.gz QASVZHQJTWLVLZ-UHFFFAOYSA-N 1 1 182.242 1.264 50 0 ADAAMO [NH3+]CCCNCc1cccc(Cl)c1 32919762 169183690 /nfs/dbraw/zinc/18/36/90/169183690.db2.gz IWNURGRWJOWEQS-UHFFFAOYSA-N 1 1 198.697 1.778 50 0 ADAAMO [NH3+]CCCN1CCc2ccccc2C1 4226739 169183722 /nfs/dbraw/zinc/18/37/22/169183722.db2.gz OZWGXKVQFUBMTE-UHFFFAOYSA-N 1 1 190.290 1.394 50 0 in-vitro ADAAMO [NH3+]CCCNCc1ccc(F)cc1 32919761 169183761 /nfs/dbraw/zinc/18/37/61/169183761.db2.gz NDENKGKOZFIGOI-UHFFFAOYSA-N 1 1 182.242 1.264 50 0 ADAAMO [NH3+]CCCc1nc2ccc(F)cc2[nH]1 6677251 169185556 /nfs/dbraw/zinc/18/55/56/169185556.db2.gz ARDAZMOGCHSNBB-UHFFFAOYSA-N 1 1 193.225 1.593 50 0 in-vitro ADAAMO Nc1ccc2[nH]c(CCC[NH3+])nc2c1 5323338 169185620 /nfs/dbraw/zinc/18/56/20/169185620.db2.gz DLZMDEHEPXHCTC-UHFFFAOYSA-N 1 1 190.250 1.036 50 0 ADAAMO [NH3+]CCCc1nc2ccc(O)cc2[nH]1 6445996 169185953 /nfs/dbraw/zinc/18/59/53/169185953.db2.gz QSDIETLTSIOGHE-UHFFFAOYSA-N 1 1 191.234 1.160 50 0 ADAAMO [NH3+]CCCc1nc2c([nH]1)CCCC2 39136853 169186028 /nfs/dbraw/zinc/18/60/28/169186028.db2.gz UZZYLAVRHNCYRR-UHFFFAOYSA-N 1 1 179.267 1.180 50 0 ADAAMO NCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 36826555 169186724 /nfs/dbraw/zinc/18/67/24/169186724.db2.gz KUNDBSJXRYATDX-GHMZBOCLSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@H+]1CCC[C@H]2CCCC[C@H]21 36826555 169186725 /nfs/dbraw/zinc/18/67/25/169186725.db2.gz KUNDBSJXRYATDX-GHMZBOCLSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36826557 169186994 /nfs/dbraw/zinc/18/69/94/169186994.db2.gz KUNDBSJXRYATDX-MNOVXSKESA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36826557 169186995 /nfs/dbraw/zinc/18/69/95/169186995.db2.gz KUNDBSJXRYATDX-MNOVXSKESA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 36826553 169187221 /nfs/dbraw/zinc/18/72/21/169187221.db2.gz KUNDBSJXRYATDX-WDEREUQCSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 36826553 169187223 /nfs/dbraw/zinc/18/72/23/169187223.db2.gz KUNDBSJXRYATDX-WDEREUQCSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 36826554 169187771 /nfs/dbraw/zinc/18/77/71/169187771.db2.gz KUNDBSJXRYATDX-QWRGUYRKSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36826554 169187772 /nfs/dbraw/zinc/18/77/72/169187772.db2.gz KUNDBSJXRYATDX-QWRGUYRKSA-N 1 1 182.311 1.600 50 0 in-vitro ADAAMO NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 19735710 169188116 /nfs/dbraw/zinc/18/81/16/169188116.db2.gz JYLXONWPLLPZGN-GFCCVEGCSA-N 1 1 190.290 1.435 50 0 in-vitro ADAAMO NCC[N@H+]1CC[C@@H](c2ccccc2)C1 19735710 169188120 /nfs/dbraw/zinc/18/81/20/169188120.db2.gz JYLXONWPLLPZGN-GFCCVEGCSA-N 1 1 190.290 1.435 50 0 in-vitro ADAAMO NCC[N@@H+]1CC[C@H](c2ccccc2)C1 19735711 169188549 /nfs/dbraw/zinc/18/85/49/169188549.db2.gz JYLXONWPLLPZGN-LBPRGKRZSA-N 1 1 190.290 1.435 50 0 in-vitro ADAAMO NCC[N@H+]1CC[C@H](c2ccccc2)C1 19735711 169188550 /nfs/dbraw/zinc/18/85/50/169188550.db2.gz JYLXONWPLLPZGN-LBPRGKRZSA-N 1 1 190.290 1.435 50 0 in-vitro ADAAMO NCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 242687661 169188558 /nfs/dbraw/zinc/18/85/58/169188558.db2.gz UNOSOYOFHHRTED-MNOVXSKESA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 242687661 169188559 /nfs/dbraw/zinc/18/85/59/169188559.db2.gz UNOSOYOFHHRTED-MNOVXSKESA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790891 169189006 /nfs/dbraw/zinc/18/90/06/169189006.db2.gz UNOSOYOFHHRTED-WDEREUQCSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790891 169189007 /nfs/dbraw/zinc/18/90/07/169189007.db2.gz UNOSOYOFHHRTED-WDEREUQCSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 38790893 169189026 /nfs/dbraw/zinc/18/90/26/169189026.db2.gz UNOSOYOFHHRTED-QWRGUYRKSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 38790893 169189027 /nfs/dbraw/zinc/18/90/27/169189027.db2.gz UNOSOYOFHHRTED-QWRGUYRKSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 20135873 169189081 /nfs/dbraw/zinc/18/90/81/169189081.db2.gz UNOSOYOFHHRTED-GHMZBOCLSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 20135873 169189082 /nfs/dbraw/zinc/18/90/82/169189082.db2.gz UNOSOYOFHHRTED-GHMZBOCLSA-N 1 1 182.311 1.457 50 0 ADAAMO NCC[NH2+]Cc1ccc(Cl)cc1 19732672 169189758 /nfs/dbraw/zinc/18/97/58/169189758.db2.gz NENSJZAMDSIIJW-UHFFFAOYSA-N 1 1 184.670 1.388 50 0 ADAAMO [NH3+]CCc1ccc2cn[nH]c2c1 36533376 169197707 /nfs/dbraw/zinc/19/77/07/169197707.db2.gz WPDRJEQNMNFKOY-UHFFFAOYSA-N 1 1 161.208 1.064 50 0 in-vitro ADAAMO [NH3+]CCc1nc2ccc(F)cc2[nH]1 11567869 169200206 /nfs/dbraw/zinc/20/02/06/169200206.db2.gz DXRBTOABNFRJTK-UHFFFAOYSA-N 1 1 179.198 1.203 50 0 in-vitro ADAAMO [NH3+]CCc1nc[nH]c1-c1cccs1 31891460 169200223 /nfs/dbraw/zinc/20/02/23/169200223.db2.gz IETGAJJKNNRANH-UHFFFAOYSA-N 1 1 193.275 1.639 50 0 ADAAMO [NH3+]CCc1nc2ccc(Cl)cc2[nH]1 4244024 169200825 /nfs/dbraw/zinc/20/08/25/169200825.db2.gz WKDCEGOIWKEIGY-UHFFFAOYSA-N 1 1 195.653 1.718 50 0 ADAAMO NC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 62709903 169202763 /nfs/dbraw/zinc/20/27/63/169202763.db2.gz XCQUUGAHDFWBHH-SSDOTTSWSA-N 1 1 190.168 1.062 50 0 in-vitro ADAAMO NC[C@@H]([NH3+])c1ccc(Cl)cc1 35677136 169203594 /nfs/dbraw/zinc/20/35/94/169203594.db2.gz DYQPAVDDRLNLKW-MRVPVSSYSA-N 1 1 170.643 1.299 50 0 ADAAMO NC[C@@H]([NH3+])c1csc2ccccc12 54464079 169203695 /nfs/dbraw/zinc/20/36/95/169203695.db2.gz PGDBMRTYHJMUIT-SECBINFHSA-N 1 1 192.287 1.860 50 0 in-vitro ADAAMO NC[C@@H]([NH3+])c1ccc2ncccc2c1 44470393 169203957 /nfs/dbraw/zinc/20/39/57/169203957.db2.gz XEQWIGYDPOMOFT-SNVBAGLBSA-N 1 1 187.246 1.193 50 0 in-vitro ADAAMO NC[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 15020663 169206110 /nfs/dbraw/zinc/20/61/10/169206110.db2.gz PIXCSVPXJQBNLH-NWDGAFQWSA-N 1 1 190.290 1.481 50 0 ADAAMO [NH3+]C[C@@H](c1ccccc1)N1CCCC1 95483744 169206484 /nfs/dbraw/zinc/20/64/84/169206484.db2.gz DIFGFCHLYHBEMH-LBPRGKRZSA-N 1 1 190.290 1.782 50 0 in-vitro ADAAMO NC[C@@H](c1ccco1)[NH+]1CCCC1 19230091 169206876 /nfs/dbraw/zinc/20/68/76/169206876.db2.gz UYQVLFHSKHZNKC-VIFPVBQESA-N 1 1 180.251 1.375 50 0 in-vitro ADAAMO NC[C@@H](c1cccs1)[NH+]1CCCC1 19735775 169207138 /nfs/dbraw/zinc/20/71/38/169207138.db2.gz HZLMJMYZCMEADV-VIFPVBQESA-N 1 1 196.319 1.844 50 0 in-vitro ADAAMO NC[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 2513183 169207189 /nfs/dbraw/zinc/20/71/89/169207189.db2.gz PIXCSVPXJQBNLH-RYUDHWBXSA-N 1 1 190.290 1.481 50 0 ADAAMO NC[C@@H](c1ccsc1)[NH+]1CCCC1 22178552 169207211 /nfs/dbraw/zinc/20/72/11/169207211.db2.gz ARMCXCSVTGOSHX-JTQLQIEISA-N 1 1 196.319 1.844 50 0 ADAAMO NC[C@@H]1CCC[N@H+]1CC1CCCCC1 90225632 169207537 /nfs/dbraw/zinc/20/75/37/169207537.db2.gz BCXIHNPGQKJBMF-LBPRGKRZSA-N 1 1 196.338 1.990 50 0 in-vitro ADAAMO NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 22910092 169207716 /nfs/dbraw/zinc/20/77/16/169207716.db2.gz OEYAFMGVIFWPQI-LBPRGKRZSA-N 1 1 190.290 1.610 50 0 in-vitro ADAAMO NC[C@@H]1CCC[N@H+]1Cc1ccccc1 22910092 169207718 /nfs/dbraw/zinc/20/77/18/169207718.db2.gz OEYAFMGVIFWPQI-LBPRGKRZSA-N 1 1 190.290 1.610 50 0 in-vitro ADAAMO NC[C@@H]1CCC[N@H+]1C1CCCCC1 39318919 169207761 /nfs/dbraw/zinc/20/77/61/169207761.db2.gz FWZCSDNSXJJNLH-NSHDSACASA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO [NH3+]C[C@@H]1CCN(Cc2ccco2)C1 11891252 169208887 /nfs/dbraw/zinc/20/88/87/169208887.db2.gz MADYJBIEHBDZAH-VIFPVBQESA-N 1 1 180.251 1.060 50 0 in-vitro ADAAMO NC[C@H]([NH3+])c1ccc(Cl)cc1 35677137 169212231 /nfs/dbraw/zinc/21/22/31/169212231.db2.gz DYQPAVDDRLNLKW-QMMMGPOBSA-N 1 1 170.643 1.299 50 0 ADAAMO NC[C@H]([NH3+])c1csc2ccccc12 54464090 169212269 /nfs/dbraw/zinc/21/22/69/169212269.db2.gz PGDBMRTYHJMUIT-VIFPVBQESA-N 1 1 192.287 1.860 50 0 in-vitro ADAAMO NC[C@H]([NH3+])c1ccc2ncccc2c1 44470396 169212576 /nfs/dbraw/zinc/21/25/76/169212576.db2.gz XEQWIGYDPOMOFT-JTQLQIEISA-N 1 1 187.246 1.193 50 0 in-vitro ADAAMO NC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 62709906 169212662 /nfs/dbraw/zinc/21/26/62/169212662.db2.gz XCQUUGAHDFWBHH-ZETCQYMHSA-N 1 1 190.168 1.062 50 0 in-vitro ADAAMO NC[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 15020660 169213641 /nfs/dbraw/zinc/21/36/41/169213641.db2.gz PIXCSVPXJQBNLH-VXGBXAGGSA-N 1 1 190.290 1.481 50 0 ADAAMO NC[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 15020656 169213927 /nfs/dbraw/zinc/21/39/27/169213927.db2.gz PIXCSVPXJQBNLH-NEPJUHHUSA-N 1 1 190.290 1.481 50 0 ADAAMO [NH3+]C[C@H](c1ccccc1)N1CCCC1 95483743 169214012 /nfs/dbraw/zinc/21/40/12/169214012.db2.gz DIFGFCHLYHBEMH-GFCCVEGCSA-N 1 1 190.290 1.782 50 0 in-vitro ADAAMO NC[C@H](c1ccsc1)[NH+]1CCCC1 22178549 169214839 /nfs/dbraw/zinc/21/48/39/169214839.db2.gz ARMCXCSVTGOSHX-SNVBAGLBSA-N 1 1 196.319 1.844 50 0 ADAAMO NC[C@H](c1cccs1)[NH+]1CCCC1 19735774 169214927 /nfs/dbraw/zinc/21/49/27/169214927.db2.gz HZLMJMYZCMEADV-SECBINFHSA-N 1 1 196.319 1.844 50 0 in-vitro ADAAMO NC[C@H]1CCC[N@@H+]1Cc1ccccc1 22910095 169215034 /nfs/dbraw/zinc/21/50/34/169215034.db2.gz OEYAFMGVIFWPQI-GFCCVEGCSA-N 1 1 190.290 1.610 50 0 in-vitro ADAAMO NC[C@H]1CCC[N@H+]1Cc1ccccc1 22910095 169215036 /nfs/dbraw/zinc/21/50/36/169215036.db2.gz OEYAFMGVIFWPQI-GFCCVEGCSA-N 1 1 190.290 1.610 50 0 in-vitro ADAAMO NC[C@H]1CCC[N@H+]1CC1CCCCC1 90225631 169215088 /nfs/dbraw/zinc/21/50/88/169215088.db2.gz BCXIHNPGQKJBMF-GFCCVEGCSA-N 1 1 196.338 1.990 50 0 in-vitro ADAAMO NC[C@H]1CCC[N@H+]1C1CCCCC1 39318918 169215367 /nfs/dbraw/zinc/21/53/67/169215367.db2.gz FWZCSDNSXJJNLH-LLVKDONJSA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO NC[C@H](c1ccco1)[NH+]1CCCC1 19230089 169215591 /nfs/dbraw/zinc/21/55/91/169215591.db2.gz UYQVLFHSKHZNKC-SECBINFHSA-N 1 1 180.251 1.375 50 0 in-vitro ADAAMO [NH3+]C[C@H]1CCN(Cc2ccco2)C1 11891253 169215918 /nfs/dbraw/zinc/21/59/18/169215918.db2.gz MADYJBIEHBDZAH-SECBINFHSA-N 1 1 180.251 1.060 50 0 in-vitro ADAAMO [NH3+]Cc1cnc(-c2ccccc2)[nH]1 62820792 169218331 /nfs/dbraw/zinc/21/83/31/169218331.db2.gz CNIIMCXFZSUBJC-UHFFFAOYSA-N 1 1 173.219 1.535 50 0 ADAAMO [NH3+]Cc1cnc2cc[nH]cc1-2 24780782 169219642 /nfs/dbraw/zinc/21/96/42/169219642.db2.gz KBXFWIMIYYDPNJ-UHFFFAOYSA-N 1 1 147.181 1.022 50 0 ADAAMO [NH3+]Cc1cc(F)c(O)c(F)c1 26832456 169220927 /nfs/dbraw/zinc/22/09/27/169220927.db2.gz XIGBWMMDVPCKSD-UHFFFAOYSA-N 1 1 159.135 1.129 50 0 ADAAMO [NH3+]Cc1cc(=O)n(-c2ccccc2)[nH]1 102719969 169220960 /nfs/dbraw/zinc/22/09/60/169220960.db2.gz MOHBVWNTJXBMKO-UHFFFAOYSA-N 1 1 189.218 1.037 50 0 ADAAMO [NH3+]Cc1ccc2[nH]cnc2c1 19737029 169223586 /nfs/dbraw/zinc/22/35/86/169223586.db2.gz WHYXSYWCALWOKX-UHFFFAOYSA-N 1 1 147.181 1.022 50 0 in-vitro ADAAMO [NH3+]Cc1cccc2nc[nH]c12 40448714 169224341 /nfs/dbraw/zinc/22/43/41/169224341.db2.gz HNANBZSSHVTMEU-UHFFFAOYSA-N 1 1 147.181 1.022 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2ccsc2)no1 35219718 169228239 /nfs/dbraw/zinc/22/82/39/169228239.db2.gz RHJYSABXBGCGSJ-UHFFFAOYSA-N 1 1 181.220 1.257 50 0 ADAAMO [NH3+]Cc1nc(-c2ccc(F)cc2)no1 20216366 169228295 /nfs/dbraw/zinc/22/82/95/169228295.db2.gz PIQUZURVXAWOPF-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 in-vitro ADAAMO [NH3+]Cc1nc2c(F)cccc2o1 74338391 169228430 /nfs/dbraw/zinc/22/84/30/169228430.db2.gz HLHQXBZIUNYAJL-UHFFFAOYSA-N 1 1 166.155 1.426 50 0 ADAAMO [NH3+]Cc1nc2ccc(Cl)cc2o1 14987885 169228440 /nfs/dbraw/zinc/22/84/40/169228440.db2.gz GGBMLKKASVIWMW-UHFFFAOYSA-N 1 1 182.610 1.940 50 0 ADAAMO [NH3+]Cc1nc2cc(Cl)c(F)cc2[nH]1 62152750 169228500 /nfs/dbraw/zinc/22/85/00/169228500.db2.gz JNIUBYBARDPBID-UHFFFAOYSA-N 1 1 199.616 1.814 50 0 ADAAMO [NH3+]Cc1n[nH]c2cc(F)ccc12 48981188 169228617 /nfs/dbraw/zinc/22/86/17/169228617.db2.gz WHNKYDOGHWSDBL-UHFFFAOYSA-N 1 1 165.171 1.161 50 0 ADAAMO [NH3+]Cc1nc(C2CCCCC2)no1 21817890 169228755 /nfs/dbraw/zinc/22/87/55/169228755.db2.gz WQLPDVOLWMKLQO-UHFFFAOYSA-N 1 1 181.239 1.576 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2cccs2)no1 8729346 169228764 /nfs/dbraw/zinc/22/87/64/169228764.db2.gz JXTFAMQWTHIXKT-UHFFFAOYSA-N 1 1 181.220 1.257 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2ccccc2F)no1 13997813 169228805 /nfs/dbraw/zinc/22/88/05/169228805.db2.gz RMGPTFMTLZSYSG-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 in-vitro ADAAMO [NH3+]Cc1nc(Cc2ccccc2)no1 6677131 169228870 /nfs/dbraw/zinc/22/88/70/169228870.db2.gz GQASRVLTKCPNCP-UHFFFAOYSA-N 1 1 189.218 1.119 50 0 in-vitro ADAAMO [NH3+]Cc1n[nH]c2ccccc12 24553243 169228889 /nfs/dbraw/zinc/22/88/89/169228889.db2.gz GMIODCDIPHWWQY-UHFFFAOYSA-N 1 1 147.181 1.022 50 0 in-vitro ADAAMO [NH3+]Cc1nc2ccc(F)cc2o1 74338388 169228934 /nfs/dbraw/zinc/22/89/34/169228934.db2.gz SVYNQNZWATUZCH-UHFFFAOYSA-N 1 1 166.155 1.426 50 0 ADAAMO [NH3+]Cc1nc2ccc(F)cc2[nH]1 11567868 169229057 /nfs/dbraw/zinc/22/90/57/169229057.db2.gz BFKMHHYAXUAKPA-UHFFFAOYSA-N 1 1 165.171 1.161 50 0 ADAAMO [NH3+]Cc1nc2cc(F)ccc2o1 34924852 169229192 /nfs/dbraw/zinc/22/91/92/169229192.db2.gz YUBZHWQAFHIACC-UHFFFAOYSA-N 1 1 166.155 1.426 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2cccc(F)c2)no1 20216368 169229587 /nfs/dbraw/zinc/22/95/87/169229587.db2.gz IMPZJQKVXUVXRN-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 ADAAMO [NH3+]Cc1nc(C2CCCC2)no1 37756546 169229604 /nfs/dbraw/zinc/22/96/04/169229604.db2.gz KODANQCNOCJCMZ-UHFFFAOYSA-N 1 1 167.212 1.186 50 0 in-vitro ADAAMO [NH3+]Cc1nc(Cc2cccs2)no1 21953288 169229663 /nfs/dbraw/zinc/22/96/63/169229663.db2.gz XFUKSEFNZNMJAP-UHFFFAOYSA-N 1 1 195.247 1.181 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2ccc(F)cc2)n[nH]1 57218726 169229880 /nfs/dbraw/zinc/22/98/80/169229880.db2.gz KUSAGHHPLAXERW-UHFFFAOYSA-N 1 1 192.197 1.070 50 0 in-vitro ADAAMO [NH3+]Cc1n[nH]c2ccc(Cl)cc12 34215886 169229940 /nfs/dbraw/zinc/22/99/40/169229940.db2.gz ZXSPLSWAOXLBQY-UHFFFAOYSA-N 1 1 181.626 1.675 50 0 ADAAMO [NH3+]Cc1nc2cc(Cl)ccc2o1 14987879 169230019 /nfs/dbraw/zinc/23/00/19/169230019.db2.gz JNUWJMBBBWTDGL-UHFFFAOYSA-N 1 1 182.610 1.940 50 0 ADAAMO [NH3+]Cc1nc2ccc(Cl)cc2[nH]1 6677279 169230050 /nfs/dbraw/zinc/23/00/50/169230050.db2.gz WVBPEUGZSSDGPT-UHFFFAOYSA-N 1 1 181.626 1.675 50 0 in-vitro ADAAMO [NH3+]Cc1nc(-c2ccccc2)no1 3882675 169230066 /nfs/dbraw/zinc/23/00/66/169230066.db2.gz QFBMJBDECSEYCZ-UHFFFAOYSA-N 1 1 175.191 1.195 50 0 in-vitro ADAAMO [NH3+]Cc1nnc(-c2ccccc2)o1 5234854 169230409 /nfs/dbraw/zinc/23/04/09/169230409.db2.gz NSDZEDPPVWGLBQ-UHFFFAOYSA-N 1 1 175.191 1.195 50 0 in-vitro ADAAMO [NH3+]Cc1nnc(-c2ccccc2)s1 39396728 169230793 /nfs/dbraw/zinc/23/07/93/169230793.db2.gz XUJWBTRPNYDMJM-UHFFFAOYSA-N 1 1 191.259 1.664 50 0 in-vitro ADAAMO [NH3+]Cc1nc2ccccc2o1 5771233 169230886 /nfs/dbraw/zinc/23/08/86/169230886.db2.gz YKUMWOOPDHGKIR-UHFFFAOYSA-N 1 1 148.165 1.287 50 0 in-vitro ADAAMO [NH3+]Cc1ncc(-c2ccccc2)o1 11586983 169231046 /nfs/dbraw/zinc/23/10/46/169231046.db2.gz YAWUPQZCCORVHG-UHFFFAOYSA-N 1 1 174.203 1.800 50 0 in-vitro ADAAMO [NH3+]Cc1nnc(-c2cccs2)o1 11585598 169231050 /nfs/dbraw/zinc/23/10/50/169231050.db2.gz OQOQNQVKHZUAFH-UHFFFAOYSA-N 1 1 181.220 1.257 50 0 ADAAMO [NH3+]Cc1ncc(C(F)(F)F)s1 107229026 169231062 /nfs/dbraw/zinc/23/10/62/169231062.db2.gz GPVZTRVJWUDRTN-UHFFFAOYSA-N 1 1 182.170 1.621 50 0 ADAAMO [NH3+]Cc1noc(-c2ccccc2)n1 3882923 169232259 /nfs/dbraw/zinc/23/22/59/169232259.db2.gz JEFIFQRLLDJFSE-UHFFFAOYSA-N 1 1 175.191 1.195 50 0 in-vitro ADAAMO [NH3+]Cc1noc(-c2cccs2)n1 8729396 169232384 /nfs/dbraw/zinc/23/23/84/169232384.db2.gz UKHKMVOPNGHNFA-UHFFFAOYSA-N 1 1 181.220 1.257 50 0 in-vitro ADAAMO [NH3+]Cc1noc(Cc2ccccc2)n1 19092876 169232484 /nfs/dbraw/zinc/23/24/84/169232484.db2.gz YPGFXSHIPBNUIM-UHFFFAOYSA-N 1 1 189.218 1.119 50 0 in-vitro ADAAMO [NH3+]Cc1noc(-c2ccc(F)cc2)n1 14987768 169232555 /nfs/dbraw/zinc/23/25/55/169232555.db2.gz KQVUACDFZVBLSI-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 ADAAMO [NH3+]Cc1nnc(Cc2ccccc2)o1 11585642 169232579 /nfs/dbraw/zinc/23/25/79/169232579.db2.gz PDBPEHJDTFADTJ-UHFFFAOYSA-N 1 1 189.218 1.119 50 0 ADAAMO [NH3+]Cc1noc(-c2cccc(F)c2)n1 19682196 169232590 /nfs/dbraw/zinc/23/25/90/169232590.db2.gz LPQNNGYEDWYOBJ-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 in-vitro ADAAMO [NH3+]Cc1noc(Cc2cccs2)n1 29866032 169232975 /nfs/dbraw/zinc/23/29/75/169232975.db2.gz RNHNLXIDVUYOAS-UHFFFAOYSA-N 1 1 195.247 1.181 50 0 in-vitro ADAAMO [NH3+]Cc1noc(-c2ccccc2F)n1 19682194 169232995 /nfs/dbraw/zinc/23/29/95/169232995.db2.gz HKUICAVZWQJAEL-UHFFFAOYSA-N 1 1 193.181 1.334 50 0 in-vitro ADAAMO [NH3+]Cc1noc(C2CCCC2)n1 19090789 169233189 /nfs/dbraw/zinc/23/31/89/169233189.db2.gz MQJDVQQPQSXGDZ-UHFFFAOYSA-N 1 1 167.212 1.186 50 0 in-vitro ADAAMO [NH3+]Cc1noc(C2CCCCC2)n1 15417227 169233367 /nfs/dbraw/zinc/23/33/67/169233367.db2.gz POFAHYUTBXLOBQ-UHFFFAOYSA-N 1 1 181.239 1.576 50 0 ADAAMO [NH3+]Cc1noc(-c2ccsc2)n1 39947569 169233374 /nfs/dbraw/zinc/23/33/74/169233374.db2.gz MSFWWMBJLSTUIZ-UHFFFAOYSA-N 1 1 181.220 1.257 50 0 ADAAMO NNc1ccc(-c2cccs2)n[nH+]1 6658129 169237841 /nfs/dbraw/zinc/23/78/41/169237841.db2.gz ARNOKZCUVMCJQP-UHFFFAOYSA-N 1 1 192.247 1.491 50 0 ADAAMO N[NH+]=c1cccc2[nH]cccc1-2 4343483 169238187 /nfs/dbraw/zinc/23/81/87/169238187.db2.gz YZKWEHGEHPCODG-UHFFFAOYSA-N 1 1 159.192 1.520 50 0 in-vitro ADAAMO NNc1cccc(Cl)[nH+]1 168495 169238233 /nfs/dbraw/zinc/23/82/33/169238233.db2.gz HFTSPKIAXHZROA-UHFFFAOYSA-N 1 1 143.577 1.021 50 0 in-vitro ADAAMO NNc1[nH+]cc(Cl)cc1Cl 269666 169238491 /nfs/dbraw/zinc/23/84/91/169238491.db2.gz ZHHZCBPODAZZOL-UHFFFAOYSA-N 1 1 178.022 1.674 50 0 in-vitro ADAAMO NNc1ccc2c[nH+]ccc2c1 2546178 169238614 /nfs/dbraw/zinc/23/86/14/169238614.db2.gz QQHURBINDRVIBH-UHFFFAOYSA-N 1 1 159.192 1.520 50 0 in-vitro ADAAMO N[NH+]=c1ccc2ccc[nH]c-2c1 75544035 169238670 /nfs/dbraw/zinc/23/86/70/169238670.db2.gz HQGSIFNFGXGLCW-UHFFFAOYSA-N 1 1 159.192 1.520 50 0 ADAAMO NNc1cccc(Br)[nH+]1 15021996 169238988 /nfs/dbraw/zinc/23/89/88/169238988.db2.gz PQMFVUNERGGBPG-UHFFFAOYSA-N 1 1 188.028 1.130 50 0 in-vitro ADAAMO NNc1cccc(C(F)(F)F)[nH+]1 16159625 169238991 /nfs/dbraw/zinc/23/89/91/169238991.db2.gz PWAIGTRIQMKRHC-UHFFFAOYSA-N 1 1 177.129 1.386 50 0 in-vitro ADAAMO NNc1[nH+]cnc2c1[nH]c1ccccc12 506586 169239828 /nfs/dbraw/zinc/23/98/28/169239828.db2.gz DOCNLHQHJIAUNB-UHFFFAOYSA-N 1 1 199.217 1.397 50 0 ADAAMO NNc1[nH+]cnc2ccc(F)cc12 15829897 169239909 /nfs/dbraw/zinc/23/99/09/169239909.db2.gz WUDRCFGLERLFRJ-UHFFFAOYSA-N 1 1 178.170 1.055 50 0 ADAAMO NNc1[nH+]nc(Cl)c2ccccc12 3177941 169240248 /nfs/dbraw/zinc/24/02/48/169240248.db2.gz UQTJGZYAFKMABR-UHFFFAOYSA-N 1 1 194.625 1.569 50 0 ADAAMO [NH3+][C@@H](CN1CCCC1)c1ccccc1 19821166 169244475 /nfs/dbraw/zinc/24/44/75/169244475.db2.gz NIIHRUKAVZEIRO-LBPRGKRZSA-N 1 1 190.290 1.782 50 0 in-vitro ADAAMO [NH3+][C@@H](CN1CCCCC1)C1CC1 68893608 169244677 /nfs/dbraw/zinc/24/46/77/169244677.db2.gz LBZDIHKFDBLHJB-JTQLQIEISA-N 1 1 168.284 1.210 50 0 ADAAMO N[C@@H](C[NH+]1CCCCC1)C1CC1 68893608 169244678 /nfs/dbraw/zinc/24/46/78/169244678.db2.gz LBZDIHKFDBLHJB-JTQLQIEISA-N 1 1 168.284 1.210 50 0 ADAAMO [NH3+][C@@H](CO)C(F)(F)c1ccccc1 39248390 169244682 /nfs/dbraw/zinc/24/46/82/169244682.db2.gz CBOLUWLXNCPXRF-QMMMGPOBSA-N 1 1 187.189 1.098 50 0 ADAAMO [NH3+][C@@H](Cc1ccccc1)c1nc[nH]n1 42040879 169247028 /nfs/dbraw/zinc/24/70/28/169247028.db2.gz AXMNKOLZLQLXHC-VIFPVBQESA-N 1 1 188.234 1.047 50 0 ADAAMO [NH3+][C@@H](Cc1ccccc1)c1ncco1 71477737 169247583 /nfs/dbraw/zinc/24/75/83/169247583.db2.gz DNGSNXCQPDTAAA-JTQLQIEISA-N 1 1 188.230 1.917 50 0 ADAAMO [NH3+][C@@H](Cc1ccccc1)c1ncno1 40454017 169248381 /nfs/dbraw/zinc/24/83/81/169248381.db2.gz KYXPPKPFNHSARQ-VIFPVBQESA-N 1 1 189.218 1.312 50 0 ADAAMO [NH3+][C@@H]1C(=O)Nc2c(Cl)cccc21 42062550 169248900 /nfs/dbraw/zinc/24/89/00/169248900.db2.gz PZPCFHKLPJLPDJ-LURJTMIESA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO [NH3+][C@@H](c1ccccc1)c1ncon1 36761903 169249361 /nfs/dbraw/zinc/24/93/61/169249361.db2.gz IYURJZDHJDSQMW-QMMMGPOBSA-N 1 1 175.191 1.118 50 0 ADAAMO [NH3+][C@@H](c1ccccc1)C(F)F 20475281 169249601 /nfs/dbraw/zinc/24/96/01/169249601.db2.gz DYKGDAUEEKXLNO-ZETCQYMHSA-N 1 1 157.163 1.952 50 0 in-vitro ADAAMO [NH3+][C@@H]1C(=O)Nc2cc(Cl)ccc21 103659805 169249909 /nfs/dbraw/zinc/24/99/09/169249909.db2.gz WTHRYAWCOFANQC-ZETCQYMHSA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO [NH3+][C@@H]1C(=O)Nc2ccc(Cl)cc21 100094705 169250723 /nfs/dbraw/zinc/25/07/23/169250723.db2.gz FNQAGSCDABCRHM-ZETCQYMHSA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO [NH3+][C@@H]1CCCC[C@H]1N1CCCCC1 19396519 169251590 /nfs/dbraw/zinc/25/15/90/169251590.db2.gz QHFKXCGYRHKLNG-GHMZBOCLSA-N 1 1 182.311 1.742 50 0 ADAAMO N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 19735495 169251611 /nfs/dbraw/zinc/25/16/11/169251611.db2.gz KHLOGZFTLJVFFC-GFCCVEGCSA-N 1 1 196.338 1.990 50 0 ADAAMO [NH3+][C@@H]1CCCN(CC2CCCCC2)C1 19735495 169251612 /nfs/dbraw/zinc/25/16/12/169251612.db2.gz KHLOGZFTLJVFFC-GFCCVEGCSA-N 1 1 196.338 1.990 50 0 ADAAMO N[C@@H]1CCC[N@H+](C2CCCC2)C1 41027566 169251946 /nfs/dbraw/zinc/25/19/46/169251946.db2.gz BPEXQYURTRYAMW-SECBINFHSA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO [NH3+][C@@H]1CCCN(C2CCCC2)C1 41027566 169251947 /nfs/dbraw/zinc/25/19/47/169251947.db2.gz BPEXQYURTRYAMW-SECBINFHSA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO N[C@@H]1CCC[N@H+](C2CCCCC2)C1 41027722 169252091 /nfs/dbraw/zinc/25/20/91/169252091.db2.gz JWKJHQNKTLGEBL-SNVBAGLBSA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO [NH3+][C@@H]1CCCN(C2CCCCC2)C1 41027722 169252092 /nfs/dbraw/zinc/25/20/92/169252092.db2.gz JWKJHQNKTLGEBL-SNVBAGLBSA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO N[C@@H]1CC[N@H+](C2CCCCC2)C1 20160409 169253780 /nfs/dbraw/zinc/25/37/80/169253780.db2.gz DPEPZAJVZHRORQ-SECBINFHSA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO [NH3+][C@@H]1CCOc2ccc(F)cc2C1=O 62614922 169253787 /nfs/dbraw/zinc/25/37/87/169253787.db2.gz QGXARTWVWGXYCI-MRVPVSSYSA-N 1 1 195.193 1.118 50 0 ADAAMO N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259773 169253883 /nfs/dbraw/zinc/25/38/83/169253883.db2.gz SBSSXCKDVHHANA-LLVKDONJSA-N 1 1 182.311 1.600 50 0 ADAAMO N[C@@H]1CC[N@H+](C2CCCCCC2)C1 31996486 169253888 /nfs/dbraw/zinc/25/38/88/169253888.db2.gz ZLMUBWSHTPRUSD-SNVBAGLBSA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO N[C@@H]1CC[N@@H+](CC2CCCC2)C1 37258674 169253894 /nfs/dbraw/zinc/25/38/94/169253894.db2.gz RNXHKXQZFWIFAD-SNVBAGLBSA-N 1 1 168.284 1.210 50 0 in-vitro ADAAMO [NH3+][C@@H]1CCOc2c(F)cccc2C1=O 62614920 169254229 /nfs/dbraw/zinc/25/42/29/169254229.db2.gz IIDQQRQMQZFBCX-MRVPVSSYSA-N 1 1 195.193 1.118 50 0 ADAAMO [NH3+][C@@H]1COc2ccc(Cl)cc2C1=O 84769878 169256610 /nfs/dbraw/zinc/25/66/10/169256610.db2.gz BGSKSBPBHPVBOG-SSDOTTSWSA-N 1 1 197.621 1.242 50 0 ADAAMO [NH3+][C@@H]1CSc2ccccc2C1=O 59454254 169258715 /nfs/dbraw/zinc/25/87/15/169258715.db2.gz GZONTAULQNAESM-SSDOTTSWSA-N 1 1 179.244 1.302 50 0 ADAAMO [NH3+][C@H](CO)C(F)(F)c1ccccc1 39248389 169264671 /nfs/dbraw/zinc/26/46/71/169264671.db2.gz CBOLUWLXNCPXRF-MRVPVSSYSA-N 1 1 187.189 1.098 50 0 ADAAMO [NH3+][C@H](CN1CCCC1)c1ccccc1 19821168 169265108 /nfs/dbraw/zinc/26/51/08/169265108.db2.gz NIIHRUKAVZEIRO-GFCCVEGCSA-N 1 1 190.290 1.782 50 0 in-vitro ADAAMO [NH3+][C@H](CN1CCCCC1)C1CC1 68893610 169265324 /nfs/dbraw/zinc/26/53/24/169265324.db2.gz LBZDIHKFDBLHJB-SNVBAGLBSA-N 1 1 168.284 1.210 50 0 ADAAMO N[C@H](C[NH+]1CCCCC1)C1CC1 68893610 169265325 /nfs/dbraw/zinc/26/53/25/169265325.db2.gz LBZDIHKFDBLHJB-SNVBAGLBSA-N 1 1 168.284 1.210 50 0 ADAAMO [NH3+][C@H](Cc1ccccc1)c1nc[nH]n1 42040882 169268396 /nfs/dbraw/zinc/26/83/96/169268396.db2.gz AXMNKOLZLQLXHC-SECBINFHSA-N 1 1 188.234 1.047 50 0 ADAAMO [NH3+][C@H](Cc1ccccc1)c1ncno1 40454018 169268626 /nfs/dbraw/zinc/26/86/26/169268626.db2.gz KYXPPKPFNHSARQ-SECBINFHSA-N 1 1 189.218 1.312 50 0 ADAAMO [NH3+][C@H](Cc1ccccc1)c1ncco1 71477739 169268828 /nfs/dbraw/zinc/26/88/28/169268828.db2.gz DNGSNXCQPDTAAA-SNVBAGLBSA-N 1 1 188.230 1.917 50 0 ADAAMO [NH3+][C@H](c1ccccc1)C(F)F 20475280 169270167 /nfs/dbraw/zinc/27/01/67/169270167.db2.gz DYKGDAUEEKXLNO-SSDOTTSWSA-N 1 1 157.163 1.952 50 0 in-vitro ADAAMO [NH3+][C@H](c1ccccc1)c1ncon1 36761904 169270291 /nfs/dbraw/zinc/27/02/91/169270291.db2.gz IYURJZDHJDSQMW-MRVPVSSYSA-N 1 1 175.191 1.118 50 0 ADAAMO [NH3+][C@H]1C(=O)Nc2cc(Cl)ccc21 20283997 169270664 /nfs/dbraw/zinc/27/06/64/169270664.db2.gz WTHRYAWCOFANQC-SSDOTTSWSA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO [NH3+][C@H]1C(=O)Nc2ccc(Cl)cc21 19944141 169271035 /nfs/dbraw/zinc/27/10/35/169271035.db2.gz FNQAGSCDABCRHM-SSDOTTSWSA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO [NH3+][C@H]1C(=O)Nc2c(Cl)cccc21 100094632 169271244 /nfs/dbraw/zinc/27/12/44/169271244.db2.gz PZPCFHKLPJLPDJ-ZCFIWIBFSA-N 1 1 182.610 1.292 50 0 in-vitro ADAAMO N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 19735496 169272266 /nfs/dbraw/zinc/27/22/66/169272266.db2.gz KHLOGZFTLJVFFC-LBPRGKRZSA-N 1 1 196.338 1.990 50 0 ADAAMO [NH3+][C@H]1CCCN(CC2CCCCC2)C1 19735496 169272267 /nfs/dbraw/zinc/27/22/67/169272267.db2.gz KHLOGZFTLJVFFC-LBPRGKRZSA-N 1 1 196.338 1.990 50 0 ADAAMO N[C@H]1CCC[N@H+](C2CCCCC2)C1 31993105 169272524 /nfs/dbraw/zinc/27/25/24/169272524.db2.gz JWKJHQNKTLGEBL-JTQLQIEISA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO [NH3+][C@H]1CCCN(C2CCCCC2)C1 31993105 169272526 /nfs/dbraw/zinc/27/25/26/169272526.db2.gz JWKJHQNKTLGEBL-JTQLQIEISA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO N[C@H]1CCC[N@H+](C2CCCC2)C1 31993093 169272950 /nfs/dbraw/zinc/27/29/50/169272950.db2.gz BPEXQYURTRYAMW-VIFPVBQESA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO [NH3+][C@H]1CCCN(C2CCCC2)C1 31993093 169272952 /nfs/dbraw/zinc/27/29/52/169272952.db2.gz BPEXQYURTRYAMW-VIFPVBQESA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO N[C@H]1CC[N@@H+](CC2CCCC2)C1 37258671 169274259 /nfs/dbraw/zinc/27/42/59/169274259.db2.gz RNXHKXQZFWIFAD-JTQLQIEISA-N 1 1 168.284 1.210 50 0 in-vitro ADAAMO [NH3+][C@H]1CCOc2c(F)cccc2C1=O 62614917 169274369 /nfs/dbraw/zinc/27/43/69/169274369.db2.gz IIDQQRQMQZFBCX-QMMMGPOBSA-N 1 1 195.193 1.118 50 0 ADAAMO N[C@H]1CC[N@H+](C2CCCCCC2)C1 31996489 169274519 /nfs/dbraw/zinc/27/45/19/169274519.db2.gz ZLMUBWSHTPRUSD-JTQLQIEISA-N 1 1 182.311 1.742 50 0 in-vitro ADAAMO N[C@H]1CC[N@@H+](CC2CCCCC2)C1 34500213 169275235 /nfs/dbraw/zinc/27/52/35/169275235.db2.gz SBSSXCKDVHHANA-NSHDSACASA-N 1 1 182.311 1.600 50 0 ADAAMO N[C@H]1CC[N@H+](C2CCCCC2)C1 20160412 169275277 /nfs/dbraw/zinc/27/52/77/169275277.db2.gz DPEPZAJVZHRORQ-VIFPVBQESA-N 1 1 168.284 1.352 50 0 in-vitro ADAAMO [NH3+][C@H]1CCOc2ccc(F)cc2C1=O 62614925 169275727 /nfs/dbraw/zinc/27/57/27/169275727.db2.gz QGXARTWVWGXYCI-QMMMGPOBSA-N 1 1 195.193 1.118 50 0 ADAAMO [NH3+][C@H]1CSc2ccccc2C1=O 59454255 169276950 /nfs/dbraw/zinc/27/69/50/169276950.db2.gz GZONTAULQNAESM-ZETCQYMHSA-N 1 1 179.244 1.302 50 0 ADAAMO [NH3+][C@H]1COc2ccc(Cl)cc2C1=O 84769880 169277225 /nfs/dbraw/zinc/27/72/25/169277225.db2.gz BGSKSBPBHPVBOG-ZETCQYMHSA-N 1 1 197.621 1.242 50 0 ADAAMO [NH3+][C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12 100047142 169281610 /nfs/dbraw/zinc/28/16/10/169281610.db2.gz AWZOKHOIEDMSLL-GDNZZTSVSA-N 1 1 188.274 1.076 50 0 in-vitro ADAAMO Nc1cc(-c2ccccc2)[nH+]c(N)n1 37637914 169283965 /nfs/dbraw/zinc/28/39/65/169283965.db2.gz ZISKLPYPMZTPOD-UHFFFAOYSA-N 1 1 186.218 1.308 50 0 ADAAMO Nc1cc(C2CCC2)cc[nH+]1 44118935 169284618 /nfs/dbraw/zinc/28/46/18/169284618.db2.gz ACBYVFFDNPOOJG-UHFFFAOYSA-N 1 1 148.209 1.931 50 0 ADAAMO Nc1cc(C2CCOCC2)cc[nH+]1 44122031 169284851 /nfs/dbraw/zinc/28/48/51/169284851.db2.gz MUCDFZYUNSIRPL-UHFFFAOYSA-N 1 1 178.235 1.558 50 0 ADAAMO Nc1cc(C2CC2)cc[nH+]1 18899190 169285546 /nfs/dbraw/zinc/28/55/46/169285546.db2.gz HAIPJIYVWCQVNZ-UHFFFAOYSA-N 1 1 134.182 1.541 50 0 in-vitro ADAAMO Nc1cc2cc[nH]c2c[nH+]1 18551745 169288961 /nfs/dbraw/zinc/28/89/61/169288961.db2.gz PFKVAHFIYOMPMX-UHFFFAOYSA-N 1 1 133.154 1.145 50 0 ADAAMO Nc1cc2ccccc2c[nH+]1 157801 169289001 /nfs/dbraw/zinc/28/90/01/169289001.db2.gz VYCKDIRCVDCQAE-UHFFFAOYSA-N 1 1 144.177 1.817 50 0 in-vitro ADAAMO Nc1cc2cc(F)ccc2c[nH+]1 91692364 169289186 /nfs/dbraw/zinc/28/91/86/169289186.db2.gz DERFSIJZZZJFQQ-UHFFFAOYSA-N 1 1 162.167 1.956 50 0 in-vitro ADAAMO Nc1cc2[nH+]c[nH]c2cc1F 75539057 169289368 /nfs/dbraw/zinc/28/93/68/169289368.db2.gz FZWJKFDFGQTTOK-UHFFFAOYSA-N 1 1 151.144 1.284 50 0 ADAAMO Nc1ccc(Br)c(N)[nH+]1 19862891 169290412 /nfs/dbraw/zinc/29/04/12/169290412.db2.gz JCJSQTQQPDJROR-UHFFFAOYSA-N 1 1 188.028 1.009 50 0 in-vitro ADAAMO Nc1ccc(C2CC2)c[nH+]1 18854771 169290817 /nfs/dbraw/zinc/29/08/17/169290817.db2.gz BBYIRRCVJZYNIH-UHFFFAOYSA-N 1 1 134.182 1.541 50 0 in-vitro ADAAMO Nc1ccc(C2CCC2)c[nH+]1 44120570 169291528 /nfs/dbraw/zinc/29/15/28/169291528.db2.gz IUNVSEPZPPQXNZ-UHFFFAOYSA-N 1 1 148.209 1.931 50 0 ADAAMO Nc1ccc(NC2CC2)[nH+]c1 19621239 169292905 /nfs/dbraw/zinc/29/29/05/169292905.db2.gz LZSIWOWWMLUCDW-UHFFFAOYSA-N 1 1 149.197 1.238 50 0 ADAAMO Nc1ccc(NC2CCC2)[nH+]c1 52207443 169293000 /nfs/dbraw/zinc/29/30/00/169293000.db2.gz SLRVQMVZTWQXCM-UHFFFAOYSA-N 1 1 163.224 1.628 50 0 ADAAMO Nc1ccc(N2CCCC2)c[nH+]1 12899510 169293073 /nfs/dbraw/zinc/29/30/73/169293073.db2.gz JPBRHMIVZVUWCZ-UHFFFAOYSA-N 1 1 163.224 1.264 50 0 in-vitro ADAAMO Nc1ccc(N2CCCC2)[nH+]c1 18217800 169293226 /nfs/dbraw/zinc/29/32/26/169293226.db2.gz PURAXXHYQSQHAA-UHFFFAOYSA-N 1 1 163.224 1.264 50 0 in-vitro ADAAMO Nc1ccc2c(c1)C[N@@H+](C1CC1)C2 11731033 169294746 /nfs/dbraw/zinc/29/47/46/169294746.db2.gz RWXUITQPIFGGEA-UHFFFAOYSA-N 1 1 174.247 1.747 50 0 ADAAMO Nc1ccc2c(c1)[nH+]cn2CCCO 6681876 169295049 /nfs/dbraw/zinc/29/50/49/169295049.db2.gz YTAHHOGABYQTFD-UHFFFAOYSA-N 1 1 191.234 1.001 50 0 in-vitro ADAAMO Nc1ccc2[nH]c[nH+]c2c1 4692941 169295631 /nfs/dbraw/zinc/29/56/31/169295631.db2.gz WFRXSXUDWCVSPI-UHFFFAOYSA-N 1 1 133.154 1.145 50 0 in-vitro ADAAMO Nc1cccc(C2CCC2)[nH+]1 44118925 169296322 /nfs/dbraw/zinc/29/63/22/169296322.db2.gz FWGDQVVMZAPJRK-UHFFFAOYSA-N 1 1 148.209 1.931 50 0 ADAAMO Nc1cccc(C[NH+]2CCOCC2)c1 19400830 169296329 /nfs/dbraw/zinc/29/63/29/169296329.db2.gz IHHKTIKNEDOMIK-UHFFFAOYSA-N 1 1 192.262 1.101 50 0 in-vitro ADAAMO Nc1cccc(C2CC2)[nH+]1 18887635 169296628 /nfs/dbraw/zinc/29/66/28/169296628.db2.gz LIZZJCZQDJRGQO-UHFFFAOYSA-N 1 1 134.182 1.541 50 0 in-vitro ADAAMO Nc1cccc2c1C[N@H+](C1CC1)C2 11730925 169297636 /nfs/dbraw/zinc/29/76/36/169297636.db2.gz BTCXFXOOPSRUDX-UHFFFAOYSA-N 1 1 174.247 1.747 50 0 in-vitro ADAAMO Nc1cccc2[nH+]c[nH]c12 112552 169297978 /nfs/dbraw/zinc/29/79/78/169297978.db2.gz NZJKEQFPRPAEPO-UHFFFAOYSA-N 1 1 133.154 1.145 50 0 in-vitro ADAAMO Nc1ccccc1C[NH+]1CCOCC1 19391309 169298357 /nfs/dbraw/zinc/29/83/57/169298357.db2.gz BNBJMXCRCHPDIG-UHFFFAOYSA-N 1 1 192.262 1.101 50 0 in-vitro ADAAMO Nc1ccc[nH+]c1NC1CCC1 52207383 169299162 /nfs/dbraw/zinc/29/91/62/169299162.db2.gz LOGOHOPDXAIFQW-UHFFFAOYSA-N 1 1 163.224 1.628 50 0 ADAAMO Nc1ccc[nH+]c1NC[C@H]1CCCO1 20278647 169299372 /nfs/dbraw/zinc/29/93/72/169299372.db2.gz QVBZCCXYDBDVRY-MRVPVSSYSA-N 1 1 193.250 1.255 50 0 ADAAMO Nc1ccc[nH+]c1N1CCCC1 20317302 169299394 /nfs/dbraw/zinc/29/93/94/169299394.db2.gz DPASXGNZPSLEBK-UHFFFAOYSA-N 1 1 163.224 1.264 50 0 ADAAMO Nc1ccc[nH+]c1NC1CC1 19850175 169299591 /nfs/dbraw/zinc/29/95/91/169299591.db2.gz QHUFORDTLJHGBU-UHFFFAOYSA-N 1 1 149.197 1.238 50 0 ADAAMO Nc1ccc[nH+]c1NCc1ccco1 20278617 169300008 /nfs/dbraw/zinc/30/00/08/169300008.db2.gz QWADAJYPTFRDBO-UHFFFAOYSA-N 1 1 189.218 1.869 50 0 ADAAMO Nc1ccc[nH+]c1NC[C@@H]1CCCO1 20278646 169300183 /nfs/dbraw/zinc/30/01/83/169300183.db2.gz QVBZCCXYDBDVRY-QMMMGPOBSA-N 1 1 193.250 1.255 50 0 ADAAMO Nc1cc[nH+]c2ccc(F)cc12 2548526 169300571 /nfs/dbraw/zinc/30/05/71/169300571.db2.gz HDANYIGFTBVIBA-UHFFFAOYSA-N 1 1 162.167 1.956 50 0 in-vitro ADAAMO Nc1cc[nH+]cc1Br 19015182 169300616 /nfs/dbraw/zinc/30/06/16/169300616.db2.gz DDQYSZWFFXOXER-UHFFFAOYSA-N 1 1 173.013 1.426 50 0 in-vitro ADAAMO Nc1cn(CC2CCC2)c[nH+]1 98213745 169300669 /nfs/dbraw/zinc/30/06/69/169300669.db2.gz DYAXICMFAFFCBG-UHFFFAOYSA-N 1 1 151.213 1.265 50 0 ADAAMO Nc1cc[nH+]c2ccoc12 38534099 169300684 /nfs/dbraw/zinc/30/06/84/169300684.db2.gz PUTFLLAMOPARNC-UHFFFAOYSA-N 1 1 134.138 1.410 50 0 ADAAMO Nc1cc[nH+]cc1Cl 333066 169300729 /nfs/dbraw/zinc/30/07/29/169300729.db2.gz KJBKPRMEMJKXDV-UHFFFAOYSA-N 1 1 128.562 1.317 50 0 in-vitro ADAAMO Nc1cc[nH+]c2[nH]ccc12 14401132 169300954 /nfs/dbraw/zinc/30/09/54/169300954.db2.gz RCWISWVYKNLXHC-UHFFFAOYSA-N 1 1 133.154 1.145 50 0 in-vitro ADAAMO Nc1cc[nH+]c2ccsc12 34087844 169301146 /nfs/dbraw/zinc/30/11/46/169301146.db2.gz CWXZEXZFHGYYCD-UHFFFAOYSA-N 1 1 150.206 1.879 50 0 ADAAMO Nc1nc(C[NH+]2CCCCC2)cs1 246273 169305988 /nfs/dbraw/zinc/30/59/88/169305988.db2.gz HHQPZGLNMNUGFQ-UHFFFAOYSA-N 1 1 197.307 1.711 50 0 ADAAMO Nc1nc(C[NH+]2CCCC2)cs1 2617546 169306114 /nfs/dbraw/zinc/30/61/14/169306114.db2.gz UYCNPLJANDOZKX-UHFFFAOYSA-N 1 1 183.280 1.321 50 0 in-vitro ADAAMO Nc1[nH]c2cc(F)c(Cl)cc2[nH+]1 66338800 169306465 /nfs/dbraw/zinc/30/64/65/169306465.db2.gz BLXGHUSEUDLUBK-UHFFFAOYSA-N 1 1 185.589 1.938 50 0 ADAAMO Nc1[nH]c2cccc(F)c2[nH+]1 54405087 169306583 /nfs/dbraw/zinc/30/65/83/169306583.db2.gz SEBBYGDROFRJJG-UHFFFAOYSA-N 1 1 151.144 1.284 50 0 in-vitro ADAAMO Nc1[nH]c2cccc(Cl)c2[nH+]1 47818715 169306676 /nfs/dbraw/zinc/30/66/76/169306676.db2.gz WDGDTHWKGHBYNL-UHFFFAOYSA-N 1 1 167.599 1.799 50 0 in-vitro ADAAMO Nc1[nH]c2c(Cl)cccc2[nH+]1 47818715 169306678 /nfs/dbraw/zinc/30/66/78/169306678.db2.gz WDGDTHWKGHBYNL-UHFFFAOYSA-N 1 1 167.599 1.799 50 0 in-vitro ADAAMO Nc1[nH]c2ccc(F)c(F)c2[nH+]1 45820939 169306913 /nfs/dbraw/zinc/30/69/13/169306913.db2.gz QFOXRSPCDPVIGZ-UHFFFAOYSA-N 1 1 169.134 1.423 50 0 ADAAMO Nc1[nH]c2cc(Cl)ccc2[nH+]1 5425419 169307178 /nfs/dbraw/zinc/30/71/78/169307178.db2.gz PDOCNPCPPLPXRV-UHFFFAOYSA-N 1 1 167.599 1.799 50 0 in-vitro ADAAMO Nc1[nH]c2cc(F)ccc2[nH+]1 54405088 169307366 /nfs/dbraw/zinc/30/73/66/169307366.db2.gz MKYGXXIXMHTQFA-UHFFFAOYSA-N 1 1 151.144 1.284 50 0 in-vitro ADAAMO Nc1nc(N)c(-c2ccccc2)c[nH+]1 40057 169308210 /nfs/dbraw/zinc/30/82/10/169308210.db2.gz FUVWRUJASRBHEK-UHFFFAOYSA-N 1 1 186.218 1.308 50 0 in-vitro ADAAMO Nc1[nH+]ccc2cc[nH]c12 40442643 169308507 /nfs/dbraw/zinc/30/85/07/169308507.db2.gz SBSKAJKJHGZYCY-UHFFFAOYSA-N 1 1 133.154 1.145 50 0 in-vitro ADAAMO Nc1[nH+]ccc2cc(CO)ccc12 95616431 169308764 /nfs/dbraw/zinc/30/87/64/169308764.db2.gz ZGQORUBXVDCOFZ-UHFFFAOYSA-N 1 1 174.203 1.309 50 0 in-vitro ADAAMO Nc1[nH+]ccc2ccccc12 154817 169308995 /nfs/dbraw/zinc/30/89/95/169308995.db2.gz OSILBMSORKFRTB-UHFFFAOYSA-N 1 1 144.177 1.817 50 0 in-vitro ADAAMO Nc1[nH+]cccc1C1CC1 70621838 169309008 /nfs/dbraw/zinc/30/90/08/169309008.db2.gz BVTBNTIAVIFETQ-UHFFFAOYSA-N 1 1 134.182 1.541 50 0 ADAAMO Nc1[nH+]ccc2ccc(CO)cc12 95616432 169309071 /nfs/dbraw/zinc/30/90/71/169309071.db2.gz BRDJELCDPZJVIF-UHFFFAOYSA-N 1 1 174.203 1.309 50 0 in-vitro ADAAMO Nc1[nH+]ccc2cccc(F)c12 71482617 169309292 /nfs/dbraw/zinc/30/92/92/169309292.db2.gz UCHZRSCYULMEQZ-UHFFFAOYSA-N 1 1 162.167 1.956 50 0 ADAAMO Nc1[nH+]cnc2[nH]c3c(c12)CCCC3 3140711 169309615 /nfs/dbraw/zinc/30/96/15/169309615.db2.gz GKKITIFSWKFEKP-UHFFFAOYSA-N 1 1 188.234 1.419 50 0 ADAAMO Nc1[nH+]cccc1N1CCCC1 95348333 169310439 /nfs/dbraw/zinc/31/04/39/169310439.db2.gz XWKNLPFCARFTAF-UHFFFAOYSA-N 1 1 163.224 1.264 50 0 in-vitro ADAAMO O=C(C[NH+]1CCCC1)c1ccccc1 34988744 169321055 /nfs/dbraw/zinc/32/10/55/169321055.db2.gz RGYPPSMWECQPTB-UHFFFAOYSA-N 1 1 189.258 1.965 50 0 ADAAMO O=C1CCCC[C@@H]1[NH+]1CCSCC1 50133072 169370781 /nfs/dbraw/zinc/37/07/81/169370781.db2.gz NUMHVMMCNPVKDZ-VIFPVBQESA-N 1 1 199.319 1.547 50 0 in-vitro ADAAMO O=C1CCC[N@@H+](C2CCCC2)C1 40448563 169371242 /nfs/dbraw/zinc/37/12/42/169371242.db2.gz GBWPGGCAYKOXKD-UHFFFAOYSA-N 1 1 167.252 1.594 50 0 in-vitro ADAAMO O=C1CCC[N@H+](C2CCCC2)C1 40448563 169371244 /nfs/dbraw/zinc/37/12/44/169371244.db2.gz GBWPGGCAYKOXKD-UHFFFAOYSA-N 1 1 167.252 1.594 50 0 in-vitro ADAAMO O=C1CCCC[C@H]1[NH+]1CCSCC1 50133071 169371453 /nfs/dbraw/zinc/37/14/53/169371453.db2.gz NUMHVMMCNPVKDZ-SECBINFHSA-N 1 1 199.319 1.547 50 0 in-vitro ADAAMO O=C1CC[NH2+][C@@H](c2ccccc2)C1 41199115 169373679 /nfs/dbraw/zinc/37/36/79/169373679.db2.gz GWIBEASNZNAKCX-LLVKDONJSA-N 1 1 175.231 1.680 50 0 in-vitro ADAAMO O=C1CC[N@H+]2CCCC[C@H]2C1 3847174 169374086 /nfs/dbraw/zinc/37/40/86/169374086.db2.gz RRPGLCASKVWATQ-QMMMGPOBSA-N 1 1 153.225 1.204 50 0 in-vitro ADAAMO O=C1CC[N@H+]2CCCC[C@@H]2C1 3847175 169374364 /nfs/dbraw/zinc/37/43/64/169374364.db2.gz RRPGLCASKVWATQ-MRVPVSSYSA-N 1 1 153.225 1.204 50 0 in-vitro ADAAMO O=C1CC[NH2+]Cc2ccccc21 66055299 169374441 /nfs/dbraw/zinc/37/44/41/169374441.db2.gz LCCOHIFCYVTBHJ-UHFFFAOYSA-N 1 1 161.204 1.363 50 0 ADAAMO O=C1CC[NH2+][C@H](c2ccccc2)C1 2553965 169374867 /nfs/dbraw/zinc/37/48/67/169374867.db2.gz GWIBEASNZNAKCX-NSHDSACASA-N 1 1 175.231 1.680 50 0 in-vitro ADAAMO O=C1CC[NH2+][C@H]1c1ccccc1 82405082 169374891 /nfs/dbraw/zinc/37/48/91/169374891.db2.gz AUKCFBQZMJEFNW-JTQLQIEISA-N 1 1 161.204 1.290 50 0 ADAAMO O=C1CC[NH2+][C@@H]1c1ccccc1 82405081 169375063 /nfs/dbraw/zinc/37/50/63/169375063.db2.gz AUKCFBQZMJEFNW-SNVBAGLBSA-N 1 1 161.204 1.290 50 0 ADAAMO O=C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 38343294 169381419 /nfs/dbraw/zinc/38/14/19/169381419.db2.gz LEMYNEZPTCSVOW-DTORHVGOSA-N 1 1 165.236 1.345 50 0 in-vitro ADAAMO O=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 33358847 169381521 /nfs/dbraw/zinc/38/15/21/169381521.db2.gz ORXWSZSJANOMOQ-AOOOYVTPSA-N 1 1 179.263 1.592 50 0 in-vitro ADAAMO OCC[N@H+]1CCC[C@H]2CCCC[C@H]21 36827538 169426840 /nfs/dbraw/zinc/42/68/40/169426840.db2.gz QZJYTGZMRMJLJG-GHMZBOCLSA-N 1 1 183.295 1.633 50 0 ADAAMO OC[C@H]1CCC[N@H+]1Cc1ccco1 11727367 169435058 /nfs/dbraw/zinc/43/50/58/169435058.db2.gz AJMRZGKANCNDIY-SECBINFHSA-N 1 1 181.235 1.236 50 0 in-vitro ADAAMO O[C@]12C[C@H]1C[N@@H+](Cc1ccccc1)C2 71790435 169455805 /nfs/dbraw/zinc/45/58/05/169455805.db2.gz WAYNFUALTYDWRJ-RYUDHWBXSA-N 1 1 189.258 1.253 50 0 ADAAMO c1cncc([C@H]2[NH2+]CCS2)c1 31391989 169483900 /nfs/dbraw/zinc/48/39/00/169483900.db2.gz SMYGUEYUDFIZCL-QMMMGPOBSA-N 1 1 166.249 1.417 50 0 ADAAMO COC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C 1709787 171001603 /nfs/dbraw/zinc/00/16/03/171001603.db2.gz ZNMJVYVCCXSTAT-ZETCQYMHSA-N 1 1 171.240 1.032 50 0 in-vitro ADAAMO COC(=O)[C@@H]1CC[N@H+]1C(C)(C)C 1709787 171001605 /nfs/dbraw/zinc/00/16/05/171001605.db2.gz ZNMJVYVCCXSTAT-ZETCQYMHSA-N 1 1 171.240 1.032 50 0 in-vitro ADAAMO C[C@H]1C[NH+]=C(N2CCCC2)S1 2769503 171008730 /nfs/dbraw/zinc/00/87/30/171008730.db2.gz KJAFYTLNCBJBPM-ZETCQYMHSA-N 1 1 170.281 1.574 50 0 ADAAMO C[C@@H]1C[NH+]=C(N2CCCC2)S1 2769504 171008774 /nfs/dbraw/zinc/00/87/74/171008774.db2.gz KJAFYTLNCBJBPM-SSDOTTSWSA-N 1 1 170.281 1.574 50 0 ADAAMO COC(=O)[C@H]1CC[N@H+]1C1CCCCC1 3179186 171009260 /nfs/dbraw/zinc/00/92/60/171009260.db2.gz FCZVWSJTPLJYSO-SNVBAGLBSA-N 1 1 197.278 1.566 50 0 ADAAMO COC(=O)[C@@H]1CC[N@H+]1C1CCCCC1 3179187 171009528 /nfs/dbraw/zinc/00/95/28/171009528.db2.gz FCZVWSJTPLJYSO-JTQLQIEISA-N 1 1 197.278 1.566 50 0 ADAAMO CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 3732452 171009845 /nfs/dbraw/zinc/00/98/45/171009845.db2.gz DUVQFTFUAMXIGS-ZJUUUORDSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO Cc1ccc2nc(CCC[NH3+])[nH]c2c1 4385482 171013242 /nfs/dbraw/zinc/01/32/42/171013242.db2.gz VODKOVJAIAVEJZ-UHFFFAOYSA-N 1 1 189.262 1.763 50 0 in-vitro ADAAMO COC(=O)[C@H]1CC[N@@H+]1C(C)(C)C 4982859 171014494 /nfs/dbraw/zinc/01/44/94/171014494.db2.gz ZNMJVYVCCXSTAT-SSDOTTSWSA-N 1 1 171.240 1.032 50 0 in-vitro ADAAMO COC(=O)[C@H]1CC[N@H+]1C(C)(C)C 4982859 171014495 /nfs/dbraw/zinc/01/44/95/171014495.db2.gz ZNMJVYVCCXSTAT-SSDOTTSWSA-N 1 1 171.240 1.032 50 0 in-vitro ADAAMO COC(=[NH2+])C(C)C 5715333 171017946 /nfs/dbraw/zinc/01/79/46/171017946.db2.gz BPMGFNCDRVFXEG-UHFFFAOYSA-N 1 1 101.149 1.266 50 0 in-vitro ADAAMO Cc1ccc2nc(C[NH3+])[nH]c2c1 6677820 171020518 /nfs/dbraw/zinc/02/05/18/171020518.db2.gz DTGZSWYLXQOOPV-UHFFFAOYSA-N 1 1 161.208 1.330 50 0 in-vitro ADAAMO COc1ccccc1[C@@H]1COCC[NH2+]1 11803320 171023642 /nfs/dbraw/zinc/02/36/42/171023642.db2.gz YRWHPTGNKPPZDT-JTQLQIEISA-N 1 1 193.246 1.356 50 0 in-vitro ADAAMO COc1ccc2nc(CC[NH3+])[nH]c2c1 11567884 171023753 /nfs/dbraw/zinc/02/37/53/171023753.db2.gz FBEXKNOXRQGGCX-UHFFFAOYSA-N 1 1 191.234 1.073 50 0 in-vitro ADAAMO CN(C)[C@@H](CC[NH3+])c1ccccc1 11762380 171024033 /nfs/dbraw/zinc/02/40/33/171024033.db2.gz ZXSNXBIFMBANFQ-NSHDSACASA-N 1 1 178.279 1.638 50 0 in-vitro ADAAMO c1c[nH+]c2c(c1)CCN2 14007942 171027973 /nfs/dbraw/zinc/02/79/73/171027973.db2.gz ZFFYPGZDXUPKNK-UHFFFAOYSA-N 1 1 120.155 1.050 50 0 ADAAMO c1csc(C2=[NH+]CCN2)c1 13805946 171028490 /nfs/dbraw/zinc/02/84/90/171028490.db2.gz WKJSKRCSMISIOY-UHFFFAOYSA-N 1 1 152.222 1.098 50 0 in-vitro ADAAMO C[N@@H+]1CCC=C(Br)C1 15042876 171029247 /nfs/dbraw/zinc/02/92/47/171029247.db2.gz AEZMVSLMBQQJOA-UHFFFAOYSA-N 1 1 176.057 1.601 50 0 in-vitro ADAAMO C[N@H+]1CCC=C(Br)C1 15042876 171029251 /nfs/dbraw/zinc/02/92/51/171029251.db2.gz AEZMVSLMBQQJOA-UHFFFAOYSA-N 1 1 176.057 1.601 50 0 in-vitro ADAAMO Cc1ccc2nc(CC[NH3+])[nH]c2c1C 15635421 171029932 /nfs/dbraw/zinc/02/99/32/171029932.db2.gz HEZISPUWFNYMKU-UHFFFAOYSA-N 1 1 189.262 1.681 50 0 ADAAMO Cc1cc[nH+]c(C)c1O 16125312 171030563 /nfs/dbraw/zinc/03/05/63/171030563.db2.gz YOLWXYGTOQALFW-UHFFFAOYSA-N 1 1 123.155 1.404 50 0 in-vitro ADAAMO [NH3+]C1CCN(Cc2ccccc2)CC1 19230129 171033565 /nfs/dbraw/zinc/03/35/65/171033565.db2.gz YUBDLZGUSSWQSS-UHFFFAOYSA-N 1 1 190.290 1.610 50 0 in-vitro ADAAMO c1ccc(CC[NH+]2CCOCC2)cc1 19635153 171034845 /nfs/dbraw/zinc/03/48/45/171034845.db2.gz VNCMOWDOKGTAMH-UHFFFAOYSA-N 1 1 191.274 1.561 50 0 ADAAMO Cc1ccccc1C[NH+]1CCOCC1 19633810 171035176 /nfs/dbraw/zinc/03/51/76/171035176.db2.gz PPMUIPNPFXLGLZ-UHFFFAOYSA-N 1 1 191.274 1.827 50 0 ADAAMO CCN(CC)CC(C)(C)[NH3+] 19685436 171035246 /nfs/dbraw/zinc/03/52/46/171035246.db2.gz OAYLAXOCNOCLPZ-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CC[NH+](CC)CC(C)(C)N 19685436 171035248 /nfs/dbraw/zinc/03/52/48/171035248.db2.gz OAYLAXOCNOCLPZ-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO c1ccc(C[NH+]2CCOCC2)cc1 19642328 171035403 /nfs/dbraw/zinc/03/54/03/171035403.db2.gz GVWBJJLCTWNTRU-UHFFFAOYSA-N 1 1 177.247 1.519 50 0 in-vitro ADAAMO Cc1ccccc1[C@@H](CN)[NH+](C)C 19795965 171035635 /nfs/dbraw/zinc/03/56/35/171035635.db2.gz UIIGCYIMWMFPTM-LLVKDONJSA-N 1 1 178.279 1.556 50 0 in-vitro ADAAMO Cc1ccccc1[C@H](CN)[NH+](C)C 19795962 171036108 /nfs/dbraw/zinc/03/61/08/171036108.db2.gz UIIGCYIMWMFPTM-NSHDSACASA-N 1 1 178.279 1.556 50 0 in-vitro ADAAMO [NH3+]CC(F)(F)c1ccccn1 20446555 171039695 /nfs/dbraw/zinc/03/96/95/171039695.db2.gz TYKNQWWXUIYRSZ-UHFFFAOYSA-N 1 1 158.151 1.132 50 0 in-vitro ADAAMO CNc1ccc(C)c[nH+]1 21505277 171040329 /nfs/dbraw/zinc/04/03/29/171040329.db2.gz ASYFGSIOATXWJA-UHFFFAOYSA-N 1 1 122.171 1.432 50 0 ADAAMO c1c[nH+]c2c(c1)CCCCN2 23664536 171042600 /nfs/dbraw/zinc/04/26/00/171042600.db2.gz TYUNYXYPNUPGGI-UHFFFAOYSA-N 1 1 148.209 1.830 50 0 in-vitro ADAAMO Cc1ccccc1[C@H](N)C[NH+](C)C 22564648 171042681 /nfs/dbraw/zinc/04/26/81/171042681.db2.gz YJNHBORXLCKJPS-LLVKDONJSA-N 1 1 178.279 1.556 50 0 ADAAMO Cc1ccccc1[C@@H](N)C[NH+](C)C 22564652 171042919 /nfs/dbraw/zinc/04/29/19/171042919.db2.gz YJNHBORXLCKJPS-NSHDSACASA-N 1 1 178.279 1.556 50 0 ADAAMO c1c[nH+]c2c(c1)CCCN2 24190180 171043099 /nfs/dbraw/zinc/04/30/99/171043099.db2.gz ZCZVGQCBSJLDDS-UHFFFAOYSA-N 1 1 134.182 1.440 50 0 in-vitro ADAAMO CCN(CC)[C@@H](C[NH3+])CC(C)C 22921611 171043440 /nfs/dbraw/zinc/04/34/40/171043440.db2.gz VFIZLVLYYTWDDN-SNVBAGLBSA-N 1 1 172.316 1.702 50 0 in-vitro ADAAMO CCOC(=[NH2+])C1CC1 32915144 171050522 /nfs/dbraw/zinc/05/05/22/171050522.db2.gz HIZBBMJRKKKMKY-UHFFFAOYSA-N 1 1 113.160 1.410 50 0 in-vitro ADAAMO CN1CCC([NH3+])(c2ccccc2)CC1 33487166 171051391 /nfs/dbraw/zinc/05/13/91/171051391.db2.gz NUXDYXAREJWGOH-UHFFFAOYSA-N 1 1 190.290 1.566 50 0 ADAAMO C[NH+](C)CC(=O)Cc1ccccc1 34171989 171053156 /nfs/dbraw/zinc/05/31/56/171053156.db2.gz ZADZABOQFDCRPL-UHFFFAOYSA-N 1 1 177.247 1.360 50 0 ADAAMO C[N@H+]1CCc2c(N)cccc2C1 34240091 171053782 /nfs/dbraw/zinc/05/37/82/171053782.db2.gz OXWNTTVDTPIYRD-UHFFFAOYSA-N 1 1 162.236 1.257 50 0 in-vitro ADAAMO COC(=[NH2+])C1CCCC1 34189611 171053791 /nfs/dbraw/zinc/05/37/91/171053791.db2.gz ZWFBNNNANATSGE-UHFFFAOYSA-N 1 1 127.187 1.800 50 0 in-vitro ADAAMO COC(=[NH2+])C1CC1 34189610 171053893 /nfs/dbraw/zinc/05/38/93/171053893.db2.gz ZUVDUEOZCKMFRB-UHFFFAOYSA-N 1 1 99.133 1.020 50 0 ADAAMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC 34925154 171057136 /nfs/dbraw/zinc/05/71/36/171057136.db2.gz HUBXCNHHVREQJA-MRVPVSSYSA-N 1 1 173.256 1.280 50 0 ADAAMO [NH3+]CC(=O)c1sccc1Cl 34719320 171057224 /nfs/dbraw/zinc/05/72/24/171057224.db2.gz ZHLWWOQHPPGRKE-UHFFFAOYSA-N 1 1 175.640 1.543 50 0 ADAAMO [NH3+]CC(F)(F)C(F)(F)F 35598495 171058937 /nfs/dbraw/zinc/05/89/37/171058937.db2.gz DPQNQLKPUVWGHE-UHFFFAOYSA-N 1 1 149.062 1.143 50 0 in-vitro ADAAMO [NH3+]CC(F)(F)c1ccccc1 35570143 171059207 /nfs/dbraw/zinc/05/92/07/171059207.db2.gz FZUZAXBAUSXGAV-UHFFFAOYSA-N 1 1 157.163 1.737 50 0 in-vitro ADAAMO C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCCNC1 36379427 171060904 /nfs/dbraw/zinc/06/09/04/171060904.db2.gz QQRILNLFDBBTQQ-OUAUKWLOSA-N 1 1 182.311 1.611 50 0 ADAAMO C[C@H]1CC[C@@H](C)N1[C@@H]1CCC[NH2+]C1 36379427 171060905 /nfs/dbraw/zinc/06/09/05/171060905.db2.gz QQRILNLFDBBTQQ-OUAUKWLOSA-N 1 1 182.311 1.611 50 0 ADAAMO CCOC(=[NH2+])CC 37628376 171064878 /nfs/dbraw/zinc/06/48/78/171064878.db2.gz VBZCVIBBTVSYSO-UHFFFAOYSA-N 1 1 101.149 1.410 50 0 in-vitro ADAAMO COc1ccccc1C[NH2+]C1COC1 71792167 171065768 /nfs/dbraw/zinc/06/57/68/171065768.db2.gz YLEMWCNOBLSZKS-UHFFFAOYSA-N 1 1 193.246 1.184 50 0 ADAAMO CCOC(=[NH2+])C(C)C 37928006 171066354 /nfs/dbraw/zinc/06/63/54/171066354.db2.gz ZXZQXWVPGASIQP-UHFFFAOYSA-N 1 1 115.176 1.656 50 0 ADAAMO COC(=[NH2+])C(C)(C)C 37927978 171066576 /nfs/dbraw/zinc/06/65/76/171066576.db2.gz NKHQOLLUGKALQD-UHFFFAOYSA-N 1 1 115.176 1.656 50 0 in-vitro ADAAMO CCOC(=[NH2+])C1CCC1 78675735 171068916 /nfs/dbraw/zinc/06/89/16/171068916.db2.gz GPOCNXYOILUIDO-UHFFFAOYSA-N 1 1 127.187 1.800 50 0 ADAAMO Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 38538671 171069864 /nfs/dbraw/zinc/06/98/64/171069864.db2.gz XCHKKIMRHNCWOK-GFCCVEGCSA-N 1 1 191.274 1.562 50 0 ADAAMO Cc1ccccc1C[NH2+]CCN 38595038 171069880 /nfs/dbraw/zinc/06/98/80/171069880.db2.gz WJKMFHVWDDNEQN-UHFFFAOYSA-N 1 1 164.252 1.043 50 0 in-vitro ADAAMO Cc1ccccc1C[N@H+]1CC[C@H](O)C1 38538668 171069891 /nfs/dbraw/zinc/06/98/91/171069891.db2.gz XCHKKIMRHNCWOK-LBPRGKRZSA-N 1 1 191.274 1.562 50 0 ADAAMO CCOC(=[NH2+])CCOC 38873455 171070863 /nfs/dbraw/zinc/07/08/63/171070863.db2.gz AMKIHLLFFGBKBF-UHFFFAOYSA-N 1 1 131.175 1.037 50 0 ADAAMO c1ccc(CC[C@@H]2CNCC[NH2+]2)cc1 39952453 171079301 /nfs/dbraw/zinc/07/93/01/171079301.db2.gz FRTXUSHWBSBIAT-GFCCVEGCSA-N 1 1 190.290 1.181 50 0 in-vitro ADAAMO c1ccc(CC[C@H]2CNCC[NH2+]2)cc1 39952454 171079412 /nfs/dbraw/zinc/07/94/12/171079412.db2.gz FRTXUSHWBSBIAT-LBPRGKRZSA-N 1 1 190.290 1.181 50 0 in-vitro ADAAMO CC(C)c1cccc(N)[nH+]1 40448826 171080979 /nfs/dbraw/zinc/08/09/79/171080979.db2.gz HAHXPMFFMRTIJV-UHFFFAOYSA-N 1 1 136.198 1.787 50 0 in-vitro ADAAMO C[NH+]1CCC(C2N=NC(=S)O2)CC1 40847812 171081852 /nfs/dbraw/zinc/08/18/52/171081852.db2.gz DXKVSQPYUWEQNJ-UHFFFAOYSA-N 1 1 199.279 1.168 50 0 ADAAMO c1[nH]nnc1C[NH2+]C1CCCCC1 41050768 171082229 /nfs/dbraw/zinc/08/22/29/171082229.db2.gz CIGIAJMEWROPAB-UHFFFAOYSA-N 1 1 180.255 1.227 50 0 ADAAMO c1n[nH]nc1C[NH2+]C1CCCCC1 41050768 171082232 /nfs/dbraw/zinc/08/22/32/171082232.db2.gz CIGIAJMEWROPAB-UHFFFAOYSA-N 1 1 180.255 1.227 50 0 ADAAMO C1C[NH2+]C[C@@H](c2nc(C3CC3)n[nH]2)C1 41058754 171082765 /nfs/dbraw/zinc/08/27/65/171082765.db2.gz ZCUSQAMYBYWEDZ-QMMMGPOBSA-N 1 1 192.266 1.149 50 0 in-vitro ADAAMO Cc1ccccc1[C@H]([C@@H](C)N)[NH+](C)C 43033990 171087148 /nfs/dbraw/zinc/08/71/48/171087148.db2.gz QVYNBHLPEFWUTQ-PWSUYJOCSA-N 1 1 192.306 1.945 50 0 in-vitro ADAAMO Cc1ccccc1[C@@H]([C@H](C)N)[NH+](C)C 43033993 171087163 /nfs/dbraw/zinc/08/71/63/171087163.db2.gz QVYNBHLPEFWUTQ-CMPLNLGQSA-N 1 1 192.306 1.945 50 0 in-vitro ADAAMO Cc1ccccc1[C@H]([C@H](C)N)[NH+](C)C 43033997 171087423 /nfs/dbraw/zinc/08/74/23/171087423.db2.gz QVYNBHLPEFWUTQ-JQWIXIFHSA-N 1 1 192.306 1.945 50 0 in-vitro ADAAMO Cc1ccccc1[C@@H]([C@@H](C)N)[NH+](C)C 43033987 171087624 /nfs/dbraw/zinc/08/76/24/171087624.db2.gz QVYNBHLPEFWUTQ-ZYHUDNBSSA-N 1 1 192.306 1.945 50 0 in-vitro ADAAMO C[N@@H+]1CCOC12CCCCC2 44124585 171089040 /nfs/dbraw/zinc/08/90/40/171089040.db2.gz JBMZKDLFGCAZSS-UHFFFAOYSA-N 1 1 155.241 1.609 50 0 ADAAMO C[N@H+]1CCOC12CCCCC2 44124585 171089042 /nfs/dbraw/zinc/08/90/42/171089042.db2.gz JBMZKDLFGCAZSS-UHFFFAOYSA-N 1 1 155.241 1.609 50 0 ADAAMO [NH3+]CC(=O)OCc1ccccc1Cl 48635064 171093876 /nfs/dbraw/zinc/09/38/76/171093876.db2.gz HMWUTBZVBOYLHE-UHFFFAOYSA-N 1 1 199.637 1.342 50 0 in-vitro ADAAMO COC(=O)[C@H]1CCC[N@H+]1C(C)C 50048302 171095794 /nfs/dbraw/zinc/09/57/94/171095794.db2.gz YTIFBQSBPGXFTA-MRVPVSSYSA-N 1 1 171.240 1.032 50 0 ADAAMO COC(=O)[C@H]1CCC[N@H+]1C1CCCC1 50048630 171095804 /nfs/dbraw/zinc/09/58/04/171095804.db2.gz KQAXCXNWYARQJT-SNVBAGLBSA-N 1 1 197.278 1.566 50 0 ADAAMO COC(=O)[C@@H]1CCC[N@H+]1C(C)C 50048304 171095912 /nfs/dbraw/zinc/09/59/12/171095912.db2.gz YTIFBQSBPGXFTA-QMMMGPOBSA-N 1 1 171.240 1.032 50 0 ADAAMO COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 50048627 171096053 /nfs/dbraw/zinc/09/60/53/171096053.db2.gz KQAXCXNWYARQJT-JTQLQIEISA-N 1 1 197.278 1.566 50 0 ADAAMO [NH3+]CC(=O)OCc1ccc(Cl)cc1 49812068 171096168 /nfs/dbraw/zinc/09/61/68/171096168.db2.gz QMZXZZUMODLQDU-UHFFFAOYSA-N 1 1 199.637 1.342 50 0 in-vitro ADAAMO Oc1cccc([C@H]2[NH2+]CCS2)c1 50522795 171096805 /nfs/dbraw/zinc/09/68/05/171096805.db2.gz XAWMGAAMNBWTLB-VIFPVBQESA-N 1 1 181.260 1.727 50 0 ADAAMO Oc1cccc([C@@H]2[NH2+]CCS2)c1 50522793 171097084 /nfs/dbraw/zinc/09/70/84/171097084.db2.gz XAWMGAAMNBWTLB-SECBINFHSA-N 1 1 181.260 1.727 50 0 ADAAMO c1cncc(C[NH+]2CCSCC2)c1 55542884 171100465 /nfs/dbraw/zinc/10/04/65/171100465.db2.gz REQRKJSLOSQBHT-UHFFFAOYSA-N 1 1 194.303 1.630 50 0 ADAAMO Cc1ccccc1C(=O)C[NH3+] 57373493 171100567 /nfs/dbraw/zinc/10/05/67/171100567.db2.gz HEAIZFPQCTWHRG-UHFFFAOYSA-N 1 1 149.193 1.136 50 0 ADAAMO [O-]c1cc(-n2ccnc2)cc(F)c1F 65386266 171104394 /nfs/dbraw/zinc/10/43/94/171104394.db2.gz DSGJZSQINCGYTN-UHFFFAOYSA-N 1 1 196.156 1.856 50 0 ADAAMO CC(C)c1ccc[nH+]c1N 69841514 171105752 /nfs/dbraw/zinc/10/57/52/171105752.db2.gz GHZOLPYPAQAMKG-UHFFFAOYSA-N 1 1 136.198 1.787 50 0 in-vitro ADAAMO c1c[nH+]c(C2CC2)[nH]1 71624439 171108443 /nfs/dbraw/zinc/10/84/43/171108443.db2.gz MBQKTXUCJWIHQQ-UHFFFAOYSA-N 1 1 108.144 1.287 50 0 in-vitro ADAAMO c1ccc(C[N@@H+]2CCC23COC3)cc1 75824170 171115306 /nfs/dbraw/zinc/11/53/06/171115306.db2.gz DTAPWPRTCQJUDA-UHFFFAOYSA-N 1 1 189.258 1.661 50 0 ADAAMO c1ccc(C[N@H+]2CCC23COC3)cc1 75824170 171115308 /nfs/dbraw/zinc/11/53/08/171115308.db2.gz DTAPWPRTCQJUDA-UHFFFAOYSA-N 1 1 189.258 1.661 50 0 ADAAMO COc1ccc2[nH]nc(C[NH3+])c2c1 82869684 171126450 /nfs/dbraw/zinc/12/64/50/171126450.db2.gz NPTNSGBJBPDCOQ-UHFFFAOYSA-N 1 1 177.207 1.030 50 0 in-vitro ADAAMO Cc1cc[nH+]c(N(C)C)c1 91297477 171134527 /nfs/dbraw/zinc/13/45/27/171134527.db2.gz WODKXQZRQNZRDW-UHFFFAOYSA-N 1 1 136.198 1.456 50 0 in-vitro ADAAMO FC(F)(F)c1ncc2c(n1)C[NH2+]C2 95079082 171136401 /nfs/dbraw/zinc/13/64/01/171136401.db2.gz WAXINHRGKZWFCJ-UHFFFAOYSA-N 1 1 189.140 1.099 50 0 ADAAMO Cc1ccccc1[C@@H]1CNCC[NH2+]1 95690966 171136833 /nfs/dbraw/zinc/13/68/33/171136833.db2.gz XAKNKYFHCKANSL-NSHDSACASA-N 1 1 176.263 1.229 50 0 ADAAMO c1c[nH+]c2c(c1)C1(CC1)CN2 96028828 171141262 /nfs/dbraw/zinc/14/12/62/171141262.db2.gz RZYLRQRIGBPJRR-UHFFFAOYSA-N 1 1 146.193 1.539 50 0 ADAAMO C[N@@H+]1CCCC(C)(C)[C@H]1CN 98209705 171143073 /nfs/dbraw/zinc/14/30/73/171143073.db2.gz CMLZJSPUAZRKMK-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[N@H+]1CCCC(C)(C)[C@H]1CN 98209705 171143074 /nfs/dbraw/zinc/14/30/74/171143074.db2.gz CMLZJSPUAZRKMK-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[N@@H+]1CCCC(C)(C)[C@@H]1CN 98209706 171143200 /nfs/dbraw/zinc/14/32/00/171143200.db2.gz CMLZJSPUAZRKMK-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[N@H+]1CCCC(C)(C)[C@@H]1CN 98209706 171143201 /nfs/dbraw/zinc/14/32/01/171143201.db2.gz CMLZJSPUAZRKMK-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO F[C@@H]1CCC[NH2+]CC1(F)F 110915877 171153658 /nfs/dbraw/zinc/15/36/58/171153658.db2.gz IFNOCWMWJKCNRN-RXMQYKEDSA-N 1 1 153.147 1.343 50 0 ADAAMO F[C@H]1CCC[NH2+]CC1(F)F 110915881 171153792 /nfs/dbraw/zinc/15/37/92/171153792.db2.gz IFNOCWMWJKCNRN-YFKPBYRVSA-N 1 1 153.147 1.343 50 0 ADAAMO COC(=O)[C@@H]1CCC[N@H+]1CC1CC1 50050763 171155066 /nfs/dbraw/zinc/15/50/66/171155066.db2.gz FCMAUENYMFNXBR-VIFPVBQESA-N 1 1 183.251 1.034 50 0 ADAAMO COC(=O)[C@H]1CCC[N@H+]1CC1CC1 50050766 171155296 /nfs/dbraw/zinc/15/52/96/171155296.db2.gz FCMAUENYMFNXBR-SECBINFHSA-N 1 1 183.251 1.034 50 0 ADAAMO OC[C@@H]1C[C@H](F)C[N@H+]1C1CCCC1 306505904 171158080 /nfs/dbraw/zinc/15/80/80/171158080.db2.gz UQPKTMOXFPUTTE-WPRPVWTQSA-N 1 1 187.258 1.334 50 0 ADAAMO CN1C(=[NH2+])[C@](C)(O)c2ccccc21 4403599 171161814 /nfs/dbraw/zinc/16/18/14/171161814.db2.gz HHZOZABBHNCTBU-SNVBAGLBSA-N 1 1 176.219 1.321 50 0 ADAAMO CN1C(=[NH2+])[C@@](C)(O)c2ccccc21 4419442 171162022 /nfs/dbraw/zinc/16/20/22/171162022.db2.gz HHZOZABBHNCTBU-JTQLQIEISA-N 1 1 176.219 1.321 50 0 ADAAMO CCOC(=O)C[C@@H]([NH3+])c1ccco1 2521307 171163970 /nfs/dbraw/zinc/16/39/70/171163970.db2.gz ZQCIVDVXCPAUEF-SSDOTTSWSA-N 1 1 183.207 1.233 50 0 ADAAMO [NH2+]=C1Nc2ccccc2CS1 16954434 171167801 /nfs/dbraw/zinc/16/78/01/171167801.db2.gz FGKBJMGTDSEDBJ-UHFFFAOYSA-N 1 1 164.233 1.880 50 0 ADAAMO CC[Si](C)(C)n1cc[nH+]c1 195763071 171170390 /nfs/dbraw/zinc/17/03/90/171170390.db2.gz HMMXVNBTJZQGTI-UHFFFAOYSA-N 1 1 154.289 1.956 50 0 in-vitro ADAAMO C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CCCNC1 238855158 171186353 /nfs/dbraw/zinc/18/63/53/171186353.db2.gz QQRILNLFDBBTQQ-AXFHLTTASA-N 1 1 182.311 1.611 50 0 ADAAMO C[C@H]1CC[C@@H](C)N1[C@H]1CCC[NH2+]C1 238855158 171186355 /nfs/dbraw/zinc/18/63/55/171186355.db2.gz QQRILNLFDBBTQQ-AXFHLTTASA-N 1 1 182.311 1.611 50 0 ADAAMO NC1(c2ccccc2)CC[NH2+]CC1 95698786 171198296 /nfs/dbraw/zinc/19/82/96/171198296.db2.gz JCGSBRGSKUXXAG-UHFFFAOYSA-N 1 1 176.263 1.224 50 0 ADAAMO [NH3+]C1(c2ccccc2)CCNCC1 95698786 171198298 /nfs/dbraw/zinc/19/82/98/171198298.db2.gz JCGSBRGSKUXXAG-UHFFFAOYSA-N 1 1 176.263 1.224 50 0 ADAAMO [NH3+]C1(c2ccccc2F)CC[NH2+]CC1 96029496 171198775 /nfs/dbraw/zinc/19/87/75/171198775.db2.gz PJJSLDOMEGNUMY-UHFFFAOYSA-N 1 1 194.253 1.363 50 0 ADAAMO NC1(c2cccc(F)c2)CC[NH2+]CC1 98213858 171200040 /nfs/dbraw/zinc/20/00/40/171200040.db2.gz WVTOQQREVLDOJW-UHFFFAOYSA-N 1 1 194.253 1.363 50 0 ADAAMO NC1(c2ccc(F)cc2)CC[NH2+]CC1 98213857 171200355 /nfs/dbraw/zinc/20/03/55/171200355.db2.gz YQCBTHQRHFFIGR-UHFFFAOYSA-N 1 1 194.253 1.363 50 0 ADAAMO CC[C@@H](C)C(=O)N1CC[NH+](CC)CC1 32895415 171201280 /nfs/dbraw/zinc/20/12/80/171201280.db2.gz VNOSSUBWTRBXAP-SNVBAGLBSA-N 1 1 198.310 1.197 50 0 ADAAMO Cn1nccc1C[NH2+]Cc1ccco1 20351260 171211432 /nfs/dbraw/zinc/21/14/32/171211432.db2.gz MOXLGFYNBKDMDW-UHFFFAOYSA-N 1 1 191.234 1.303 50 0 ADAAMO [NH3+]CC(F)(F)c1cccc(F)c1 95764057 171224539 /nfs/dbraw/zinc/22/45/39/171224539.db2.gz LJZYZBUMVMKIEA-UHFFFAOYSA-N 1 1 175.153 1.876 50 0 in-vitro ADAAMO [NH3+]CC(F)(F)c1ccc(F)cc1 95764036 171224689 /nfs/dbraw/zinc/22/46/89/171224689.db2.gz KVOPXGCKWVEEPQ-UHFFFAOYSA-N 1 1 175.153 1.876 50 0 ADAAMO CC(C)CC(=O)N1CCC[N@@H+](C)CC1 20495785 171213613 /nfs/dbraw/zinc/21/36/13/171213613.db2.gz BSULAVARKJADIQ-UHFFFAOYSA-N 1 1 198.310 1.197 50 0 ADAAMO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C)C2)C(=O)O1 229710806 344612531 /nfs/dbraw/zinc/61/25/31/344612531.db2.gz QJXFTROFYOAUJY-UTLUCORTSA-N 1 1 197.278 1.422 50 0 ADAAMO COc1cc(N)[nH+]cc1C(F)(F)F 238384410 344804229 /nfs/dbraw/zinc/80/42/29/344804229.db2.gz SBLYITPOINEJHG-UHFFFAOYSA-N 1 1 192.140 1.691 50 0 ADAAMO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccn[nH]1 306570569 345447961 /nfs/dbraw/zinc/44/79/61/345447961.db2.gz ZALWBZDUUKEACB-IUCAKERBSA-N 1 1 193.294 1.934 50 0 ADAAMO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccn[nH]1 306570571 345448063 /nfs/dbraw/zinc/44/80/63/345448063.db2.gz ZALWBZDUUKEACB-RKDXNWHRSA-N 1 1 193.294 1.934 50 0 ADAAMO COc1ccc2[nH+]c(N)[nH]c2c1 5424656 207350855 /nfs/dbraw/zinc/35/08/55/207350855.db2.gz FXFSGALQLLEBJD-UHFFFAOYSA-N 1 1 163.180 1.154 50 0 in-vitro ADAAMO Cc1ccc2c(c1)C[N@H+](CCO)C2 307751329 346220866 /nfs/dbraw/zinc/22/08/66/346220866.db2.gz NPJRKFWPSKNOQB-UHFFFAOYSA-N 1 1 177.247 1.303 50 0 ADAAMO O[C@H]1CCC[N@@H+](Cc2cccnc2)C1 199810 351273772 /nfs/dbraw/zinc/27/37/72/351273772.db2.gz OXMGNUKXSWZDCD-NSHDSACASA-N 1 1 192.262 1.038 50 0 ADAAMO OCCCNc1[nH]c2ccccc2[nH+]1 2405610 351307391 /nfs/dbraw/zinc/30/73/91/351307391.db2.gz CVFJELUAPZTLRC-UHFFFAOYSA-N 1 1 191.234 1.357 50 0 in-vitro ADAAMO CC(C)C[C@H]1C[N@H+]2CCC[C@H]2CN1 23363475 351414477 /nfs/dbraw/zinc/41/44/77/351414477.db2.gz CLNMUPYECOXNEZ-QWRGUYRKSA-N 1 1 182.311 1.469 50 0 ADAAMO OC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 23115154 351414645 /nfs/dbraw/zinc/41/46/45/351414645.db2.gz PEXAAQGGMUZXND-SNVBAGLBSA-N 1 1 195.262 1.484 50 0 ADAAMO CC(C)C[C@H](C)N1CC[NH2+]CC1 32919442 351429970 /nfs/dbraw/zinc/42/99/70/351429970.db2.gz UAUWDLCUDIOLQP-JTQLQIEISA-N 1 1 170.300 1.326 50 0 in-vitro ADAAMO C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[NH2+]C1 36379429 351456625 /nfs/dbraw/zinc/45/66/25/351456625.db2.gz QQRILNLFDBBTQQ-GMTAPVOTSA-N 1 1 182.311 1.611 50 0 ADAAMO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1 38545444 351482264 /nfs/dbraw/zinc/48/22/64/351482264.db2.gz GBEIREVJIUGSDR-MWLCHTKSSA-N 1 1 176.263 1.309 50 0 ADAAMO C[C@@H](c1ccccc1)[C@H](N)C[NH3+] 40240812 351505521 /nfs/dbraw/zinc/50/55/21/351505521.db2.gz FXLVGPWSHAUWFU-WCBMZHEXSA-N 1 1 164.252 1.076 50 0 ADAAMO [NH3+]CC(=O)c1ccc(F)cc1Cl 70602929 351603899 /nfs/dbraw/zinc/60/38/99/351603899.db2.gz PQIFWELADCHBGE-UHFFFAOYSA-N 1 1 187.601 1.621 50 0 ADAAMO CCOC(=O)C(CC)(CC)[NH2+]C 37458715 325600211 /nfs/dbraw/zinc/60/02/11/325600211.db2.gz PDMPDNNZACEKAI-UHFFFAOYSA-N 1 1 173.256 1.328 50 0 biogenic ADAAMO [NH3+]CC(=O)c1cccc(F)c1Cl 84450834 325610202 /nfs/dbraw/zinc/61/02/02/325610202.db2.gz ADBBXCDFGNLABB-UHFFFAOYSA-N 1 1 187.601 1.621 50 0 ADAAMO Nc1cc(OC(F)(F)F)cc[nH+]1 238704841 325633417 /nfs/dbraw/zinc/63/34/17/325633417.db2.gz OOTFIRIPQWSBKK-UHFFFAOYSA-N 1 1 178.113 1.562 50 0 ADAAMO C[C@@H]1CCC[C@H](CCN(C)C)[NH2+]1 307335167 325641018 /nfs/dbraw/zinc/64/10/18/325641018.db2.gz CFQFKQJQJSLRMN-NXEZZACHSA-N 1 1 170.300 1.469 50 0 ADAAMO C[C@H]1CCC[C@@H](CCN(C)C)[NH2+]1 307335168 325641030 /nfs/dbraw/zinc/64/10/30/325641030.db2.gz CFQFKQJQJSLRMN-UWVGGRQHSA-N 1 1 170.300 1.469 50 0 ADAAMO CCC1([NH+]2CCCC2)CCNCC1 536948766 325667174 /nfs/dbraw/zinc/66/71/74/325667174.db2.gz YBJUINVJJAGQNT-UHFFFAOYSA-N 1 1 182.311 1.614 50 0 ADAAMO Cc1[nH+]ccn1Cc1ccccn1 5710 342923705 /nfs/dbraw/zinc/92/37/05/342923705.db2.gz CTUICISGLKIJLG-UHFFFAOYSA-N 1 1 173.219 1.635 50 0 investigational ADAAMO C[N@H+]1CCC[C@@H]1c1cccnc1 1798 342923765 /nfs/dbraw/zinc/92/37/65/342923765.db2.gz SNICXCGAKADSCV-SNVBAGLBSA-N 1 1 162.236 1.848 50 0 biogenic,fda ADAAMO C1COC(NC(C2CC2)C2CC2)=[NH+]1 9708 342924128 /nfs/dbraw/zinc/92/41/28/342924128.db2.gz CQXADFVORZEARL-UHFFFAOYSA-N 1 1 180.251 1.151 50 0 world ADAAMO C[N@H+]1CCC[C@@H]1c1cccnc1N 40177 342924907 /nfs/dbraw/zinc/92/49/07/342924907.db2.gz IFQQQYVVFJFUMU-SECBINFHSA-N 1 1 177.251 1.431 50 0 biogenic,in-vitro ADAAMO C[C@H]1CC[N@@H+](C(C)(C)C)CC1=O 62086 342925435 /nfs/dbraw/zinc/92/54/35/342925435.db2.gz YKYYRENVLBAHKM-QMMMGPOBSA-N 1 1 169.268 1.696 50 0 ADAAMO C[C@H]1CC[N@H+](C(C)(C)C)CC1=O 62086 342925438 /nfs/dbraw/zinc/92/54/38/342925438.db2.gz YKYYRENVLBAHKM-QMMMGPOBSA-N 1 1 169.268 1.696 50 0 ADAAMO CN1CCC[C@@]2(CCC[NH2+]C2)C1 106624 342926727 /nfs/dbraw/zinc/92/67/27/342926727.db2.gz HHIKCULWCMZQRO-SNVBAGLBSA-N 1 1 168.284 1.082 50 0 in-vitro ADAAMO CN1CCC[C@]2(CCC[NH2+]C2)C1 106618 342927011 /nfs/dbraw/zinc/92/70/11/342927011.db2.gz HHIKCULWCMZQRO-JTQLQIEISA-N 1 1 168.284 1.082 50 0 in-vitro ADAAMO CCCN1CCC([NH2+]C2CC2)CC1 153948 342928536 /nfs/dbraw/zinc/92/85/36/342928536.db2.gz IOZJJKNYYROPTK-UHFFFAOYSA-N 1 1 182.311 1.613 50 0 in-vitro ADAAMO CN(N)c1[nH+]cccc1C(F)(F)F 165264 342930404 /nfs/dbraw/zinc/93/04/04/342930404.db2.gz DCWFZFNVIDBWHB-UHFFFAOYSA-N 1 1 191.156 1.410 50 0 ADAAMO CN(N)c1ccc(C(F)(F)F)c[nH+]1 165261 342930408 /nfs/dbraw/zinc/93/04/08/342930408.db2.gz LZYILLLQHBJCFB-UHFFFAOYSA-N 1 1 191.156 1.410 50 0 ADAAMO Cc1cccn2cc[nH+]c12 170147 342930777 /nfs/dbraw/zinc/93/07/77/342930777.db2.gz BJZAXTJBEBNEDL-UHFFFAOYSA-N 1 1 132.166 1.643 50 0 ADAAMO Cc1ccc2[nH+]ccn2c1 170149 342930921 /nfs/dbraw/zinc/93/09/21/342930921.db2.gz VKVFDPQDGZSLJK-UHFFFAOYSA-N 1 1 132.166 1.643 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@@H]1c1ccc(N)nc1 251188 342932472 /nfs/dbraw/zinc/93/24/72/342932472.db2.gz FARGKMUKCFJLSU-SECBINFHSA-N 1 1 177.251 1.431 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@H]1c1ccc(N)nc1 251181 342932540 /nfs/dbraw/zinc/93/25/40/342932540.db2.gz FARGKMUKCFJLSU-VIFPVBQESA-N 1 1 177.251 1.431 50 0 in-vitro ADAAMO c1ccc(C[NH+]2CCSCC2)nc1 277731 342932815 /nfs/dbraw/zinc/93/28/15/342932815.db2.gz XDBTZKGSODUZAM-UHFFFAOYSA-N 1 1 194.303 1.630 50 0 ADAAMO CC1CC[NH+](C2CCNCC2)CC1 299474 342933266 /nfs/dbraw/zinc/93/32/66/342933266.db2.gz MPXFUSKDKWZTPI-UHFFFAOYSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO CC(=O)C[C@@H]1CCCC[N@@H+]1C 336705 342933954 /nfs/dbraw/zinc/93/39/54/342933954.db2.gz TYHJMEIBGDDCPA-VIFPVBQESA-N 1 1 155.241 1.450 50 0 endogenous,in-man ADAAMO Cc1ccc(N)c(C)[nH+]1 335270 342934074 /nfs/dbraw/zinc/93/40/74/342934074.db2.gz WISXXOGOMDYNSN-UHFFFAOYSA-N 1 1 122.171 1.281 50 0 in-vitro ADAAMO Cc1ccc(-c2cn(N)c(N)[nH+]2)cc1 336889 342934288 /nfs/dbraw/zinc/93/42/88/342934288.db2.gz QPEKNLWXAGQIPS-UHFFFAOYSA-N 1 1 188.234 1.155 50 0 in-vitro ADAAMO CC(C)c1[nH]cc[nH+]1 389816 342936350 /nfs/dbraw/zinc/93/63/50/342936350.db2.gz FUOZJYASZOSONT-UHFFFAOYSA-N 1 1 110.160 1.533 50 0 in-vitro ADAAMO C[NH+](C)[C@@H]1CCc2ccccc2C1=O 391373 342936355 /nfs/dbraw/zinc/93/63/55/342936355.db2.gz GDDNPKYISZOYAA-LLVKDONJSA-N 1 1 189.258 1.746 50 0 ADAAMO Cc1cc[n+](C)c2c(O)cccc12 392389 342936656 /nfs/dbraw/zinc/93/66/56/342936656.db2.gz KZYMCHYIJDNEFW-UHFFFAOYSA-O 1 1 174.223 1.678 50 0 ADAAMO Cc1ccccc1NC(=O)C[NH+](C)C 393023 342936749 /nfs/dbraw/zinc/93/67/49/342936749.db2.gz LMGPVBWLTSZEBK-UHFFFAOYSA-N 1 1 192.262 1.495 50 0 ADAAMO C[N@H+]1CCC[C@H]1c1cccnc1 391812 342936777 /nfs/dbraw/zinc/93/67/77/342936777.db2.gz SNICXCGAKADSCV-JTQLQIEISA-N 1 1 162.236 1.848 50 0 endogenous,fda ADAAMO C[N@H+]1CCCC[C@H]1c1cccnc1N 517178 342940297 /nfs/dbraw/zinc/94/02/97/342940297.db2.gz LQJOLYZSAPOTEH-JTQLQIEISA-N 1 1 191.278 1.821 50 0 biogenic ADAAMO C[N@H+]1CCC[C@H]1c1ccc[nH]c1=O 518825 342940372 /nfs/dbraw/zinc/94/03/72/342940372.db2.gz HEPGBMFRBFJBBJ-VIFPVBQESA-N 1 1 178.235 1.142 50 0 ADAAMO C[N@H+]1CCCC[C@@H]1c1cccnc1N 517180 342940409 /nfs/dbraw/zinc/94/04/09/342940409.db2.gz LQJOLYZSAPOTEH-SNVBAGLBSA-N 1 1 191.278 1.821 50 0 biogenic ADAAMO C[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O 518827 342940833 /nfs/dbraw/zinc/94/08/33/342940833.db2.gz HEPGBMFRBFJBBJ-SECBINFHSA-N 1 1 178.235 1.142 50 0 ADAAMO C[C@H](c1ccccc1)[NH+]1CC(O)C1 771813 342941136 /nfs/dbraw/zinc/94/11/36/342941136.db2.gz DILWWMFEHWWBCX-SECBINFHSA-N 1 1 177.247 1.424 50 0 ADAAMO Cc1[nH]c[nH+]c1C 967285 342942333 /nfs/dbraw/zinc/94/23/33/342942333.db2.gz YSWBFLWKAIRHEI-UHFFFAOYSA-N 1 1 96.133 1.027 50 0 in-vitro ADAAMO CC(C)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 1076029 342943246 /nfs/dbraw/zinc/94/32/46/342943246.db2.gz MBUYANXUYMISOS-DTWKUNHWSA-N 1 1 169.268 1.694 50 0 ADAAMO CC[C@]1(O)C[C@H](C)[N@@H+](C)C[C@@H]1C 1234750 342943659 /nfs/dbraw/zinc/94/36/59/342943659.db2.gz XEOCATJPKSQIPI-GUBZILKMSA-N 1 1 171.284 1.488 50 0 ADAAMO C[C@H]1CC(=O)C(C)(C)[N@@H+](C)C1 1296064 342944080 /nfs/dbraw/zinc/94/40/80/342944080.db2.gz YRDHEJROWHVLPI-ZETCQYMHSA-N 1 1 155.241 1.306 50 0 ADAAMO C[C@H]1CC(=O)C(C)(C)[N@H+](C)C1 1296064 342944083 /nfs/dbraw/zinc/94/40/83/342944083.db2.gz YRDHEJROWHVLPI-ZETCQYMHSA-N 1 1 155.241 1.306 50 0 ADAAMO Cc1cc2c([nH+]cn2C)c(N)c1C 1385910 342944526 /nfs/dbraw/zinc/94/45/26/342944526.db2.gz INPDVPVXTWTNOI-UHFFFAOYSA-N 1 1 175.235 1.772 50 0 ADAAMO CCn1c[nH+]c2cc(N)ccc21 1427379 342945312 /nfs/dbraw/zinc/94/53/12/342945312.db2.gz JVESLFWSVWNBQV-UHFFFAOYSA-N 1 1 161.208 1.638 50 0 in-vitro ADAAMO C[N@@H+](CCCO)Cc1ccccc1 1575606 342948572 /nfs/dbraw/zinc/94/85/72/342948572.db2.gz YQAUZGVTGQVMPM-UHFFFAOYSA-N 1 1 179.263 1.501 50 0 in-vitro ADAAMO CN(C)CC[C@H]1CCCC[NH2+]1 1655612 342954460 /nfs/dbraw/zinc/95/44/60/342954460.db2.gz VQWPLEFSACXKNE-SECBINFHSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@H+]1CCCO 1693790 342959339 /nfs/dbraw/zinc/95/93/39/342959339.db2.gz JNSUUJLFWBSBME-VIFPVBQESA-N 1 1 157.257 1.243 50 0 ADAAMO CCCCOC(=O)C[C@H]1CCC[N@H+]1C 1726421 342962630 /nfs/dbraw/zinc/96/26/30/342962630.db2.gz DDOKJYBDDYKGIL-SNVBAGLBSA-N 1 1 199.294 1.814 50 0 ADAAMO C[C@H](C(=O)c1ccccc1)[NH+](C)C 1761318 342964155 /nfs/dbraw/zinc/96/41/55/342964155.db2.gz KBHMHROOFHVLBA-SECBINFHSA-N 1 1 177.247 1.819 50 0 in-man ADAAMO C[N@H+]1CCc2ccccc2C1 1999670 342965997 /nfs/dbraw/zinc/96/59/97/342965997.db2.gz KYXSVGVQGFPNRQ-UHFFFAOYSA-N 1 1 147.221 1.675 50 0 in-vitro ADAAMO C[N@H+]1CCc2cc(O)ccc2C1 2002143 342966008 /nfs/dbraw/zinc/96/60/08/342966008.db2.gz BMLTXAQSFDCMHA-UHFFFAOYSA-N 1 1 163.220 1.380 50 0 ADAAMO CCCCOC(=O)C[C@@H]1CCC[N@H+]1C 2160017 342969998 /nfs/dbraw/zinc/96/99/98/342969998.db2.gz DDOKJYBDDYKGIL-JTQLQIEISA-N 1 1 199.294 1.814 50 0 ADAAMO CCCCC[N@H+]1CCC[C@@H](C(N)=O)C1 2160108 342970113 /nfs/dbraw/zinc/97/01/13/342970113.db2.gz VMYWLIVDQSXFQA-SNVBAGLBSA-N 1 1 198.310 1.374 50 0 ADAAMO CCCCC[N@H+]1CCC[C@H](C(N)=O)C1 2160114 342970206 /nfs/dbraw/zinc/97/02/06/342970206.db2.gz VMYWLIVDQSXFQA-JTQLQIEISA-N 1 1 198.310 1.374 50 0 ADAAMO C[N@H+]1CC[C@H](C(=O)c2cccnc2)C1 2387191 342971971 /nfs/dbraw/zinc/97/19/71/342971971.db2.gz ARYQLVJXQFGHLA-JTQLQIEISA-N 1 1 190.246 1.216 50 0 in-vitro ADAAMO C/C=C(\C)C[N@H+]1CCC[C@@H](C(N)=O)C1 2498090 342972553 /nfs/dbraw/zinc/97/25/53/342972553.db2.gz VMOYOJPOPJQSJM-OTVCUZDGSA-N 1 1 196.294 1.150 50 0 ADAAMO CC(C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 2510514 342973223 /nfs/dbraw/zinc/97/32/23/342973223.db2.gz MBUYANXUYMISOS-BDAKNGLRSA-N 1 1 169.268 1.694 50 0 ADAAMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1C1CC1 2510511 342973266 /nfs/dbraw/zinc/97/32/66/342973266.db2.gz SECVTNICLPFQPY-SFYZADRCSA-N 1 1 167.252 1.448 50 0 ADAAMO CN(C)CC(C)(C)C[NH+](C)C 2510326 342973426 /nfs/dbraw/zinc/97/34/26/342973426.db2.gz MOBAUGYLXJCSAW-UHFFFAOYSA-N 1 1 158.289 1.136 50 0 ADAAMO C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 2513609 342973899 /nfs/dbraw/zinc/97/38/99/342973899.db2.gz RITANGGXLSWSNG-IUCAKERBSA-N 1 1 167.252 1.450 50 0 ADAAMO CN(C)CCC[NH2+]Cc1cccs1 2518422 342973976 /nfs/dbraw/zinc/97/39/76/342973976.db2.gz WNDWOEWEQBGZIE-UHFFFAOYSA-N 1 1 198.335 1.789 50 0 ADAAMO CCC[NH+](CCC)C1CCNCC1 2529142 342974763 /nfs/dbraw/zinc/97/47/63/342974763.db2.gz TUANAYXZRKSRCV-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 in-vitro ADAAMO CCn1cc(Cl)c(C[NH2+]C)n1 2534198 342974943 /nfs/dbraw/zinc/97/49/43/342974943.db2.gz DWXWMXBEPOKAAY-UHFFFAOYSA-N 1 1 173.647 1.276 50 0 ADAAMO CCc1ccc2[nH+]c(N)[nH]c2c1 2534163 342975134 /nfs/dbraw/zinc/97/51/34/342975134.db2.gz GFHYRJKZFJOIJB-UHFFFAOYSA-N 1 1 161.208 1.708 50 0 ADAAMO CN(C)CC[C@@H]1CCCC[NH2+]1 2558599 342976494 /nfs/dbraw/zinc/97/64/94/342976494.db2.gz VQWPLEFSACXKNE-VIFPVBQESA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccccc1CO 2563832 342976843 /nfs/dbraw/zinc/97/68/43/342976843.db2.gz ISTAEQZMUZJXTF-UHFFFAOYSA-N 1 1 188.230 1.673 50 0 ADAAMO Cc1[nH+]ccn1-c1ccccc1C=O 2563695 342976932 /nfs/dbraw/zinc/97/69/32/342976932.db2.gz BNOJZJUNSOKVQD-UHFFFAOYSA-N 1 1 186.214 1.993 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccc(CO)cc1 2563833 342976986 /nfs/dbraw/zinc/97/69/86/342976986.db2.gz XOEGKOWEHCVONH-UHFFFAOYSA-N 1 1 188.230 1.673 50 0 ADAAMO CCCCc1[nH]cc[nH+]1 2569368 342977599 /nfs/dbraw/zinc/97/75/99/342977599.db2.gz SLLDUURXGMDOCY-UHFFFAOYSA-N 1 1 124.187 1.752 50 0 in-vitro ADAAMO C[N@H+]1CC[C@@H]2Nc3ccccc3[C@H]2C1 2578355 342978488 /nfs/dbraw/zinc/97/84/88/342978488.db2.gz KDOLICPJGKZRKU-PWSUYJOCSA-N 1 1 188.274 1.900 50 0 biogenic ADAAMO CCCC[N@@H+]1CC[C@@H]1C(=O)OC 3179184 342981373 /nfs/dbraw/zinc/98/13/73/342981373.db2.gz NVBNBHMWNOITIM-MRVPVSSYSA-N 1 1 171.240 1.034 50 0 ADAAMO CCCC[N@H+]1CC[C@@H]1C(=O)OC 3179184 342981375 /nfs/dbraw/zinc/98/13/75/342981375.db2.gz NVBNBHMWNOITIM-MRVPVSSYSA-N 1 1 171.240 1.034 50 0 ADAAMO CCCC[N@@H+]1CC[C@H]1C(=O)OC 3179181 342981546 /nfs/dbraw/zinc/98/15/46/342981546.db2.gz NVBNBHMWNOITIM-QMMMGPOBSA-N 1 1 171.240 1.034 50 0 ADAAMO CCCC[N@H+]1CC[C@H]1C(=O)OC 3179181 342981547 /nfs/dbraw/zinc/98/15/47/342981547.db2.gz NVBNBHMWNOITIM-QMMMGPOBSA-N 1 1 171.240 1.034 50 0 ADAAMO C[C@H](O)CNc1[nH]c2ccccc2[nH+]1 3276892 342981913 /nfs/dbraw/zinc/98/19/13/342981913.db2.gz PSVRXGARSFQENR-ZETCQYMHSA-N 1 1 191.234 1.356 50 0 in-vitro ADAAMO C[N@H+]1CC[C@@H]2Nc3ccccc3[C@@H]2C1 3600651 342982509 /nfs/dbraw/zinc/98/25/09/342982509.db2.gz KDOLICPJGKZRKU-JQWIXIFHSA-N 1 1 188.274 1.900 50 0 ADAAMO Cc1cc([C@@H]2CCC[N@@H+]2C)on1 3786099 342984437 /nfs/dbraw/zinc/98/44/37/342984437.db2.gz ILLGYRJAYAAAEW-QMMMGPOBSA-N 1 1 166.224 1.750 50 0 in-vitro ADAAMO Cc1cc(C)c(N)c[nH+]1 3881104 342985860 /nfs/dbraw/zinc/98/58/60/342985860.db2.gz SHSQTJRJQHPJRQ-UHFFFAOYSA-N 1 1 122.171 1.281 50 0 in-vitro ADAAMO C/C=C(\C)C[N@H+]1CCC[C@H](C(N)=O)C1 4021742 342986585 /nfs/dbraw/zinc/98/65/85/342986585.db2.gz VMOYOJPOPJQSJM-RZCNENHTSA-N 1 1 196.294 1.150 50 0 ADAAMO CC(C)[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 4127247 342987387 /nfs/dbraw/zinc/98/73/87/342987387.db2.gz MBUYANXUYMISOS-IUCAKERBSA-N 1 1 169.268 1.694 50 0 ADAAMO C[N@H+]1[C@H]2CCC[C@@H]1CC(=O)C2 4098911 342987458 /nfs/dbraw/zinc/98/74/58/342987458.db2.gz RHWSKVCZXBAWLZ-OCAPTIKFSA-N 1 1 153.225 1.202 50 0 endogenous,in-man ADAAMO C[N@H+]1CC[C@](C)(O)[C@H]2CCCC[C@@H]21 4127266 342987583 /nfs/dbraw/zinc/98/75/83/342987583.db2.gz OFUROGGOSSXCBF-DCAQKATOSA-N 1 1 183.295 1.632 50 0 ADAAMO CC(C)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 4127248 342987604 /nfs/dbraw/zinc/98/76/04/342987604.db2.gz MBUYANXUYMISOS-RKDXNWHRSA-N 1 1 169.268 1.694 50 0 ADAAMO C[C@H]1C(=O)CC[N@@H+](C2CC2)[C@@H]1C 4127230 342987643 /nfs/dbraw/zinc/98/76/43/342987643.db2.gz SECVTNICLPFQPY-HTQZYQBOSA-N 1 1 167.252 1.448 50 0 ADAAMO CC[C@]1(O)C[C@@H](C)[N@@H+](C)C[C@@H]1C 4141683 342987706 /nfs/dbraw/zinc/98/77/06/342987706.db2.gz XEOCATJPKSQIPI-AEJSXWLSSA-N 1 1 171.284 1.488 50 0 ADAAMO CN(CCC[NH3+])Cc1ccccc1 4207346 342988726 /nfs/dbraw/zinc/98/87/26/342988726.db2.gz LZQYISZOMMPPIP-UHFFFAOYSA-N 1 1 178.279 1.467 50 0 in-vitro ADAAMO C[C@]12CCCC[N@H+]1CCC[C@H]2CO 4235168 342989480 /nfs/dbraw/zinc/98/94/80/342989480.db2.gz WVDUAOYJLFVEMW-WDEREUQCSA-N 1 1 183.295 1.633 50 0 ADAAMO C[C@H]1C[C@H](O)C(C)(C)[N@@H+](C)C1 4343789 342990925 /nfs/dbraw/zinc/99/09/25/342990925.db2.gz INVCLHCIBAGWDL-YUMQZZPRSA-N 1 1 157.257 1.098 50 0 ADAAMO C[C@H]1C[C@@H](O)C(C)(C)[N@@H+](C)C1 4343791 342990959 /nfs/dbraw/zinc/99/09/59/342990959.db2.gz INVCLHCIBAGWDL-JGVFFNPUSA-N 1 1 157.257 1.098 50 0 ADAAMO Cc1ccc(-c2nc(C[NH3+])no2)cc1 4512592 342992167 /nfs/dbraw/zinc/99/21/67/342992167.db2.gz ILBFWNRAMFDEQG-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 ADAAMO C[C@H]([NH3+])c1nc(-c2cccnc2)no1 4503369 342992277 /nfs/dbraw/zinc/99/22/77/342992277.db2.gz SKYPROWPCJGPQF-LURJTMIESA-N 1 1 190.206 1.151 50 0 in-vitro ADAAMO C[C@H]1C[N@@H+](C)C(C)(C)C[C@@H]1O 4558123 342992665 /nfs/dbraw/zinc/99/26/65/342992665.db2.gz VCTKUJRILCIKDW-YUMQZZPRSA-N 1 1 157.257 1.098 50 0 ADAAMO C[NH+](C)[C@H]1CCc2ccccc2C1=O 4530685 342992707 /nfs/dbraw/zinc/99/27/07/342992707.db2.gz GDDNPKYISZOYAA-NSHDSACASA-N 1 1 189.258 1.746 50 0 ADAAMO CCc1[nH]cc(C)[nH+]1 4555707 342992748 /nfs/dbraw/zinc/99/27/48/342992748.db2.gz ULKLGIFJWFIQFF-UHFFFAOYSA-N 1 1 110.160 1.281 50 0 ADAAMO Cc1[nH+]c(N)cn1-c1ccccc1 4623387 342993540 /nfs/dbraw/zinc/99/35/40/342993540.db2.gz FUNJHJUPYYGZJX-UHFFFAOYSA-N 1 1 173.219 1.763 50 0 ADAAMO Cc1ccc(N(C)C)[nH+]c1 4716449 342994567 /nfs/dbraw/zinc/99/45/67/342994567.db2.gz UAISVLUETKZZST-UHFFFAOYSA-N 1 1 136.198 1.456 50 0 in-vitro ADAAMO C[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1O 4751298 342995029 /nfs/dbraw/zinc/99/50/29/342995029.db2.gz TYIUEUAUKSQXAM-IUCAKERBSA-N 1 1 171.284 1.488 50 0 ADAAMO C[C@H]1C[C@@H]([NH+](C)C)[C@H](C)CN1C 4837129 342996574 /nfs/dbraw/zinc/99/65/74/342996574.db2.gz YTSOCSSFMLFCRS-KXUCPTDWSA-N 1 1 170.300 1.277 50 0 ADAAMO C[NH2+]C1CCN(C(C)C)CC1 4992757 342997915 /nfs/dbraw/zinc/99/79/15/342997915.db2.gz IKTZTXACQRUKHD-UHFFFAOYSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO Cc1cc2[nH]c[nH+]c2c(C)c1O 5061115 342998517 /nfs/dbraw/zinc/99/85/17/342998517.db2.gz SJVHEJUZWOOPIJ-UHFFFAOYSA-N 1 1 162.192 1.885 50 0 ADAAMO Cc1[nH]c2nc[nH+]c(N)c2c1C 5330490 343001168 /nfs/dbraw/zinc/00/11/68/343001168.db2.gz PXHWVPTTWWSNJU-UHFFFAOYSA-N 1 1 162.196 1.157 50 0 in-vitro ADAAMO Cc1c[nH]c(C)[nH+]1 5425079 343002507 /nfs/dbraw/zinc/00/25/07/343002507.db2.gz LLPKQRMDOFYSGZ-UHFFFAOYSA-N 1 1 96.133 1.027 50 0 in-vitro ADAAMO C[N@@H+](CCO)C1CCCCC1 5599779 343005450 /nfs/dbraw/zinc/00/54/50/343005450.db2.gz DSDSZHUBHNTFNX-UHFFFAOYSA-N 1 1 157.257 1.243 50 0 in-vitro ADAAMO Cc1ccc2nc([C@@H](C)[NH3+])[nH]c2c1 5818427 343008489 /nfs/dbraw/zinc/00/84/89/343008489.db2.gz ZMZOHCIPMNHJEF-SSDOTTSWSA-N 1 1 175.235 1.891 50 0 in-vitro ADAAMO Cc1ccc2nc([C@H](C)[NH3+])[nH]c2c1 5818436 343008659 /nfs/dbraw/zinc/00/86/59/343008659.db2.gz ZMZOHCIPMNHJEF-ZETCQYMHSA-N 1 1 175.235 1.891 50 0 in-vitro ADAAMO Cc1ccc2nc(CC[NH3+])[nH]c2c1 5818387 343008696 /nfs/dbraw/zinc/00/86/96/343008696.db2.gz BQXLLXSCNRJESI-UHFFFAOYSA-N 1 1 175.235 1.373 50 0 in-vitro ADAAMO CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 6169414 343013244 /nfs/dbraw/zinc/01/32/44/343013244.db2.gz DUVQFTFUAMXIGS-UWVGGRQHSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO C[N@H+]1CC[C@H]2Nc3ccccc3[C@H]2C1 6520318 343015113 /nfs/dbraw/zinc/01/51/13/343015113.db2.gz KDOLICPJGKZRKU-ZYHUDNBSSA-N 1 1 188.274 1.900 50 0 ADAAMO Cc1ccccc1-c1noc(C[NH3+])n1 8729114 343020443 /nfs/dbraw/zinc/02/04/43/343020443.db2.gz CTUVGWXDOQVBTG-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 ADAAMO Cc1ccccc1-c1nc(C[NH3+])no1 8729362 343020673 /nfs/dbraw/zinc/02/06/73/343020673.db2.gz WTVJKHOCADMMRO-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 in-vitro ADAAMO Cc1cccc(-c2nc(C[NH3+])no2)c1 8729365 343020725 /nfs/dbraw/zinc/02/07/25/343020725.db2.gz ZYZKTXYWUAPIJD-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 in-vitro ADAAMO CCCCN(C)c1ccc(N)c[nH+]1 11568724 343022482 /nfs/dbraw/zinc/02/24/82/343022482.db2.gz PQDCVFJQYKDZFQ-UHFFFAOYSA-N 1 1 179.267 1.900 50 0 ADAAMO Cc1cnc([C@@H](C)[NH3+])o1 11587085 343022889 /nfs/dbraw/zinc/02/28/89/343022889.db2.gz BCZCRYDWZCGWIP-RXMQYKEDSA-N 1 1 126.159 1.003 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1nnc(-c2ccccc2)o1 11586077 343022973 /nfs/dbraw/zinc/02/29/73/343022973.db2.gz VGJUTEOWTIPELS-ZETCQYMHSA-N 1 1 189.218 1.756 50 0 ADAAMO CC(C)[N@H+]1Cc2ccc(N)cc2C1 11731034 343023977 /nfs/dbraw/zinc/02/39/77/343023977.db2.gz HDTCCGDLBZOGLK-UHFFFAOYSA-N 1 1 176.263 1.993 50 0 ADAAMO CN(C)CCC[NH2+]C1CCCC1 11766426 343024448 /nfs/dbraw/zinc/02/44/48/343024448.db2.gz VEYCTSADAZRBIS-UHFFFAOYSA-N 1 1 170.300 1.470 50 0 ADAAMO CN(C)[C@H](CC[NH3+])c1ccccc1 11762386 343024530 /nfs/dbraw/zinc/02/45/30/343024530.db2.gz ZXSNXBIFMBANFQ-LLVKDONJSA-N 1 1 178.279 1.638 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ncccc1N 11919531 343026669 /nfs/dbraw/zinc/02/66/69/343026669.db2.gz SVLWMKWPISCOSN-UHFFFAOYSA-N 1 1 174.207 1.158 50 0 in-vitro ADAAMO Cc1cc(N2CCCC2)nc(C)[nH+]1 12016451 343028273 /nfs/dbraw/zinc/02/82/73/343028273.db2.gz KWNBXYJSCFAYMC-UHFFFAOYSA-N 1 1 177.251 1.694 50 0 ADAAMO Cc1[nH+]ccn1-c1ccc(F)cc1N 12357650 343028678 /nfs/dbraw/zinc/02/86/78/343028678.db2.gz LBBDPBFLKPKIJG-UHFFFAOYSA-N 1 1 191.209 1.902 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1cccc(N)c1 12370673 343029075 /nfs/dbraw/zinc/02/90/75/343029075.db2.gz ZDHNDCMKVXWWLA-UHFFFAOYSA-N 1 1 173.219 1.763 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccccc1N 12370669 343029178 /nfs/dbraw/zinc/02/91/78/343029178.db2.gz LLSZMUSXQITSSJ-UHFFFAOYSA-N 1 1 173.219 1.763 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccc(N)cc1F 12395403 343029665 /nfs/dbraw/zinc/02/96/65/343029665.db2.gz FHACCHDMXPSXTB-UHFFFAOYSA-N 1 1 191.209 1.902 50 0 in-vitro ADAAMO CC(C)[N@H+]1CCC[C@H](CO)C1 12382563 343029800 /nfs/dbraw/zinc/02/98/00/343029800.db2.gz LZXLHLSTUPFULX-VIFPVBQESA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO C[NH+](C)CC[C@@H](N)c1ccccc1 12397765 343030143 /nfs/dbraw/zinc/03/01/43/343030143.db2.gz HSZKVKCMQAORSG-LLVKDONJSA-N 1 1 178.279 1.638 50 0 in-vitro ADAAMO C[C@]1(c2ccccc2)N[NH+]=C(N)S1 12762591 343031770 /nfs/dbraw/zinc/03/17/70/343031770.db2.gz UUXXEORWLAEGTM-VIFPVBQESA-N 1 1 193.275 1.425 50 0 ADAAMO C[C@@]1(c2ccccc2)N[NH+]=C(N)S1 12762586 343031898 /nfs/dbraw/zinc/03/18/98/343031898.db2.gz UUXXEORWLAEGTM-SECBINFHSA-N 1 1 193.275 1.425 50 0 ADAAMO CC(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2=O 12506093 343032000 /nfs/dbraw/zinc/03/20/00/343032000.db2.gz XJMQPSKRAIRWLP-AOOOYVTPSA-N 1 1 181.279 1.696 50 0 in-vitro ADAAMO Cc1[nH]c2cc3c(cc2[nH+]1)OCCO3 12971086 343032972 /nfs/dbraw/zinc/03/29/72/343032972.db2.gz FKJSSWOXPYTQOL-UHFFFAOYSA-N 1 1 190.202 1.643 50 0 in-vitro ADAAMO CCCCn1cc[nH+]c1C 13144613 343033076 /nfs/dbraw/zinc/03/30/76/343033076.db2.gz WHLZPGRDRYCVRQ-UHFFFAOYSA-N 1 1 138.214 1.992 50 0 ADAAMO C[N@H+]1CC[C@](C)(O)[C@@H]2CCCC[C@@H]21 13139816 343033193 /nfs/dbraw/zinc/03/31/93/343033193.db2.gz OFUROGGOSSXCBF-VWYCJHECSA-N 1 1 183.295 1.632 50 0 ADAAMO C[NH+](C)Cc1csc(C=O)c1 13483539 343035132 /nfs/dbraw/zinc/03/51/32/343035132.db2.gz YTFYNRSMSLXOQO-UHFFFAOYSA-N 1 1 169.249 1.622 50 0 in-vitro ADAAMO Cc1[nH+]ccn1Cc1ccccc1N 13483660 343035222 /nfs/dbraw/zinc/03/52/22/343035222.db2.gz XHAMXDSRQGASLM-UHFFFAOYSA-N 1 1 187.246 1.822 50 0 ADAAMO Cc1[nH+]ccn1Cc1cccc(N)c1 13483610 343035384 /nfs/dbraw/zinc/03/53/84/343035384.db2.gz HUIPSQLQXSLXAH-UHFFFAOYSA-N 1 1 187.246 1.822 50 0 in-vitro ADAAMO Cc1[nH+]c(N)[nH]c1Cc1ccccc1 13833534 343037696 /nfs/dbraw/zinc/03/76/96/343037696.db2.gz DDAMTLXHGRFRDT-UHFFFAOYSA-N 1 1 187.246 1.891 50 0 ADAAMO Cc1ccc(-c2noc(C[NH3+])n2)cc1 13957814 343038376 /nfs/dbraw/zinc/03/83/76/343038376.db2.gz XDCYNMWXLOAGSE-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 in-vitro ADAAMO C[C@H](O)C[C@H]1CCCC[N@H+]1C 14695447 343039675 /nfs/dbraw/zinc/03/96/75/343039675.db2.gz JOHKCJPJMSCFBX-DTWKUNHWSA-N 1 1 157.257 1.242 50 0 biogenic,in-vitro ADAAMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C 14695444 343039832 /nfs/dbraw/zinc/03/98/32/343039832.db2.gz JOHKCJPJMSCFBX-IUCAKERBSA-N 1 1 157.257 1.242 50 0 biogenic,in-vitro ADAAMO Cc1ccc2[nH+]c[nH]c2c1N 14987540 343041109 /nfs/dbraw/zinc/04/11/09/343041109.db2.gz BQHSHBQZSZIJPC-UHFFFAOYSA-N 1 1 147.181 1.454 50 0 ADAAMO Cc1ccc2[nH]c[nH+]c2c1N 14987540 343041111 /nfs/dbraw/zinc/04/11/11/343041111.db2.gz BQHSHBQZSZIJPC-UHFFFAOYSA-N 1 1 147.181 1.454 50 0 ADAAMO CC(C)[N@H+]1CCC[C@@H](CO)C1 15635484 343042089 /nfs/dbraw/zinc/04/20/89/343042089.db2.gz LZXLHLSTUPFULX-SECBINFHSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO C[C@H](O)C[N@H+]1CCCC[C@@H]1C 15442163 343042223 /nfs/dbraw/zinc/04/22/23/343042223.db2.gz SJVZIMJRRLNDLA-IUCAKERBSA-N 1 1 157.257 1.242 50 0 ADAAMO C[C@H]1CCCC[N@@H+]1C[C@@H](C)O 15442161 343042239 /nfs/dbraw/zinc/04/22/39/343042239.db2.gz SJVZIMJRRLNDLA-DTWKUNHWSA-N 1 1 157.257 1.242 50 0 ADAAMO C[C@H]1CCC[N@H+]([C@@H](C)CO)C1 15635678 343042724 /nfs/dbraw/zinc/04/27/24/343042724.db2.gz IVFMCLNSQCOKJU-IUCAKERBSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO Cc1cc(CCCO)cc(C)[nH+]1 15781889 343042747 /nfs/dbraw/zinc/04/27/47/343042747.db2.gz FVPFWFLIIAPVTN-UHFFFAOYSA-N 1 1 165.236 1.623 50 0 ADAAMO CC(C)Nc1[nH+]cccc1N 15774955 343042764 /nfs/dbraw/zinc/04/27/64/343042764.db2.gz UJMMDSXBFLGSRF-UHFFFAOYSA-N 1 1 151.213 1.484 50 0 ADAAMO C[C@H]1CCCC[N@@H+]1[C@H](C)CO 15635674 343042768 /nfs/dbraw/zinc/04/27/68/343042768.db2.gz UCTLHKSQISSPFT-DTWKUNHWSA-N 1 1 157.257 1.242 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@@H+](CCCO)C1 15635669 343042800 /nfs/dbraw/zinc/04/28/00/343042800.db2.gz DMDOZRIHHKQUFD-AOOOYVTPSA-N 1 1 171.284 1.347 50 0 in-vitro ADAAMO CCC[N@@H+](CCO)Cc1ccccc1 16663103 343044040 /nfs/dbraw/zinc/04/40/40/343044040.db2.gz RMSBMILECANKNX-UHFFFAOYSA-N 1 1 193.290 1.891 50 0 ADAAMO Cc1cn2cccc(N)c2[nH+]1 16696631 343044245 /nfs/dbraw/zinc/04/42/45/343044245.db2.gz IAWOZJVIXLAJEV-UHFFFAOYSA-N 1 1 147.181 1.225 50 0 in-vitro ADAAMO C[NH+](C)Cc1ccc(C=O)s1 16943062 343045138 /nfs/dbraw/zinc/04/51/38/343045138.db2.gz XTLGJZIONFAKKA-UHFFFAOYSA-N 1 1 169.249 1.622 50 0 ADAAMO Cc1cccc(NC(=O)C[NH+](C)C)c1 16957830 343045261 /nfs/dbraw/zinc/04/52/61/343045261.db2.gz MADHPCFVEGNUNN-UHFFFAOYSA-N 1 1 192.262 1.495 50 0 ADAAMO C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 18505177 343048379 /nfs/dbraw/zinc/04/83/79/343048379.db2.gz YXMLAIMCNQXPSH-DTWKUNHWSA-N 1 1 139.242 1.738 50 0 ADAAMO CCc1nnc(C[NH2+]C(C)C)o1 19089826 343049637 /nfs/dbraw/zinc/04/96/37/343049637.db2.gz BBJQHAJAIIFZFI-UHFFFAOYSA-N 1 1 169.228 1.130 50 0 ADAAMO CCc1noc(C[NH2+]C(C)C)n1 19089786 343049644 /nfs/dbraw/zinc/04/96/44/343049644.db2.gz IDWQREWRKBJTBS-UHFFFAOYSA-N 1 1 169.228 1.130 50 0 in-vitro ADAAMO CC(C)c1noc([C@@H](C)[NH3+])n1 19089571 343049814 /nfs/dbraw/zinc/04/98/14/343049814.db2.gz YKCAYAQNJASPLT-RXMQYKEDSA-N 1 1 155.201 1.213 50 0 ADAAMO CC(C)Cc1noc([C@H](C)[NH3+])n1 19089581 343049830 /nfs/dbraw/zinc/04/98/30/343049830.db2.gz UADCXLYXFTVSFE-LURJTMIESA-N 1 1 169.228 1.288 50 0 ADAAMO C[C@H]([NH3+])c1nc(-c2ccncc2)no1 19089594 343049920 /nfs/dbraw/zinc/04/99/20/343049920.db2.gz QGJJFECXVDIPCW-LURJTMIESA-N 1 1 190.206 1.151 50 0 ADAAMO CC(C)c1noc([C@H](C)[NH3+])n1 19089575 343050003 /nfs/dbraw/zinc/05/00/03/343050003.db2.gz YKCAYAQNJASPLT-YFKPBYRVSA-N 1 1 155.201 1.213 50 0 ADAAMO CC(C)Cc1noc([C@@H](C)[NH3+])n1 19089578 343050012 /nfs/dbraw/zinc/05/00/12/343050012.db2.gz UADCXLYXFTVSFE-ZCFIWIBFSA-N 1 1 169.228 1.288 50 0 ADAAMO C[C@H]1C[C@@H](C)C[N@@H+](CCCCO)C1 19091202 343050253 /nfs/dbraw/zinc/05/02/53/343050253.db2.gz LICXUVQWKVAKPC-PHIMTYICSA-N 1 1 185.311 1.737 50 0 in-vitro ADAAMO CCc1[nH+]ccn1CC(C)=O 19092765 343050620 /nfs/dbraw/zinc/05/06/20/343050620.db2.gz MDLJJPUNYDXLOY-UHFFFAOYSA-N 1 1 152.197 1.035 50 0 in-vitro ADAAMO Cc1ccc2[nH]nc(C[NH3+])c2c1 19092369 343050624 /nfs/dbraw/zinc/05/06/24/343050624.db2.gz YPJDAMOTHFUFQE-UHFFFAOYSA-N 1 1 161.208 1.330 50 0 in-vitro ADAAMO C[NH+](C)Cc1cncc(Cl)n1 19092025 343050713 /nfs/dbraw/zinc/05/07/13/343050713.db2.gz KZPIIZVVZFYZAO-UHFFFAOYSA-N 1 1 171.631 1.192 50 0 ADAAMO Cc1cccc2oc(C[NH3+])nc12 19092387 343050738 /nfs/dbraw/zinc/05/07/38/343050738.db2.gz HPABFBCXEHCNFO-UHFFFAOYSA-N 1 1 162.192 1.595 50 0 ADAAMO C[NH+](C)CCNCc1ccsc1 19256342 343052074 /nfs/dbraw/zinc/05/20/74/343052074.db2.gz AQFCIMZHLZBDBG-UHFFFAOYSA-N 1 1 184.308 1.399 50 0 ADAAMO C[C@H]([NH3+])CN1C[C@H](C)C[C@@H](C)C1 19257883 343052163 /nfs/dbraw/zinc/05/21/63/343052163.db2.gz JYXDJWHFBOONFW-BBBLOLIVSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO CC(C)N(CC[NH3+])C(C)C 19230158 343052178 /nfs/dbraw/zinc/05/21/78/343052178.db2.gz CURJNMSGPBXOGK-UHFFFAOYSA-N 1 1 144.262 1.064 50 0 ADAAMO CCCC[N@H+]1CCCNCC1 19260558 343052435 /nfs/dbraw/zinc/05/24/35/343052435.db2.gz GPWLJZCPRQGUMM-UHFFFAOYSA-N 1 1 156.273 1.082 50 0 ADAAMO CCCCN1CCC[NH2+]CC1 19260558 343052437 /nfs/dbraw/zinc/05/24/37/343052437.db2.gz GPWLJZCPRQGUMM-UHFFFAOYSA-N 1 1 156.273 1.082 50 0 ADAAMO CC(C)[N@H+]1CCc2nc(N)sc2C1 19260218 343052451 /nfs/dbraw/zinc/05/24/51/343052451.db2.gz BXIPZMYZBYKUBQ-UHFFFAOYSA-N 1 1 197.307 1.492 50 0 in-vitro ADAAMO CN(C)Cc1ccc(C[NH3+])cc1F 19266160 343052695 /nfs/dbraw/zinc/05/26/95/343052695.db2.gz YDLYUQVKMXWYKT-UHFFFAOYSA-N 1 1 182.242 1.346 50 0 ADAAMO C[N@H+]1CCC[C@H]1c1cccnc1N 19300070 343052986 /nfs/dbraw/zinc/05/29/86/343052986.db2.gz IFQQQYVVFJFUMU-VIFPVBQESA-N 1 1 177.251 1.431 50 0 biogenic,in-vitro ADAAMO C[C@H]([NH2+]CCN)c1ccccc1 19369328 343053178 /nfs/dbraw/zinc/05/31/78/343053178.db2.gz PPLYZPAMMOECNS-VIFPVBQESA-N 1 1 164.252 1.296 50 0 in-vitro ADAAMO C[NH+](C)[C@@H](CN)c1ccccc1 19366115 343053195 /nfs/dbraw/zinc/05/31/95/343053195.db2.gz NFSAPTWLWWYADB-JTQLQIEISA-N 1 1 164.252 1.248 50 0 in-vitro ADAAMO CC[C@@H]([NH3+])CN1CCCCC1 19358785 343053281 /nfs/dbraw/zinc/05/32/81/343053281.db2.gz JIQRJXYTQMTWIY-SECBINFHSA-N 1 1 156.273 1.210 50 0 ADAAMO CC[C@@H](N)C[NH+]1CCCCC1 19358785 343053283 /nfs/dbraw/zinc/05/32/83/343053283.db2.gz JIQRJXYTQMTWIY-SECBINFHSA-N 1 1 156.273 1.210 50 0 ADAAMO CN(C)[C@H]1CCCC[C@H]1[NH+](C)C 19366763 343053311 /nfs/dbraw/zinc/05/33/11/343053311.db2.gz DVDGHRQOLYEZAE-AOOOYVTPSA-N 1 1 170.300 1.421 50 0 ADAAMO CCCCN(CC[NH3+])CCCC 19365841 343053569 /nfs/dbraw/zinc/05/35/69/343053569.db2.gz PWNDYKKNXVKQJO-UHFFFAOYSA-N 1 1 172.316 1.847 50 0 in-vitro ADAAMO C[NH+](C)[C@H](CN)c1ccccc1 19369368 343053572 /nfs/dbraw/zinc/05/35/72/343053572.db2.gz NFSAPTWLWWYADB-SNVBAGLBSA-N 1 1 164.252 1.248 50 0 in-vitro ADAAMO CCCCN(C)c1[nH+]cccc1N 19389158 343053948 /nfs/dbraw/zinc/05/39/48/343053948.db2.gz XXRPJFLJAIAIIT-UHFFFAOYSA-N 1 1 179.267 1.900 50 0 ADAAMO CCCC[N@@H+](CC)CCN 19384918 343054050 /nfs/dbraw/zinc/05/40/50/343054050.db2.gz ZLXMDIPUMLDZDQ-UHFFFAOYSA-N 1 1 144.262 1.067 50 0 ADAAMO CCCCN(CC)CC[NH3+] 19384918 343054053 /nfs/dbraw/zinc/05/40/53/343054053.db2.gz ZLXMDIPUMLDZDQ-UHFFFAOYSA-N 1 1 144.262 1.067 50 0 ADAAMO CCCCC[NH+]1CCNCC1 19402624 343054493 /nfs/dbraw/zinc/05/44/93/343054493.db2.gz MJWWNBHUIIRNDZ-UHFFFAOYSA-N 1 1 156.273 1.082 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CN)C1 19432861 343055083 /nfs/dbraw/zinc/05/50/83/343055083.db2.gz ZNZYNDGDFJIBTF-AOOOYVTPSA-N 1 1 184.327 1.702 50 0 in-vitro ADAAMO CCC[NH2+]C1CCN(CCC)CC1 19472798 343055585 /nfs/dbraw/zinc/05/55/85/343055585.db2.gz SURKVOXVVIZPAB-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 ADAAMO C[C@H]1C[C@H](C)C[NH+](C2CCNCC2)C1 19473720 343055602 /nfs/dbraw/zinc/05/56/02/343055602.db2.gz SVXLDJZOZAEIHM-QWRGUYRKSA-N 1 1 196.338 1.716 50 0 in-vitro ADAAMO C[C@H]1CCC[N@H+](C(C)(C)CN)C1 19472288 343055713 /nfs/dbraw/zinc/05/57/13/343055713.db2.gz KOVSIJWAXFLXHK-VIFPVBQESA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@@H+](C2CCNCC2)C1 19473717 343055898 /nfs/dbraw/zinc/05/58/98/343055898.db2.gz SVXLDJZOZAEIHM-PHIMTYICSA-N 1 1 196.338 1.716 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@H+](C2CCNCC2)C1 19473717 343055900 /nfs/dbraw/zinc/05/59/00/343055900.db2.gz SVXLDJZOZAEIHM-PHIMTYICSA-N 1 1 196.338 1.716 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@H+]1CC(N)=S 19486806 343056252 /nfs/dbraw/zinc/05/62/52/343056252.db2.gz DSDUMJBZNKJMIX-ZETCQYMHSA-N 1 1 172.297 1.147 50 0 in-vitro ADAAMO C[C@H]1CCC[C@@](C[NH3+])(N(C)C)C1 19509066 343056649 /nfs/dbraw/zinc/05/66/49/343056649.db2.gz PEUFZDVXZCCLLT-VHSXEESVSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@H]1CCC[C@](C[NH3+])(N(C)C)C1 19509070 343056714 /nfs/dbraw/zinc/05/67/14/343056714.db2.gz PEUFZDVXZCCLLT-UWVGGRQHSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO CN(C)CC[N@@H+](C)C[C@@H]1CC=CCC1 19634989 343057360 /nfs/dbraw/zinc/05/73/60/343057360.db2.gz GACWGUYXVNKKDR-GFCCVEGCSA-N 1 1 196.338 1.836 50 0 ADAAMO Cc1cccc(C[NH+]2CCOCC2)c1 19633948 343057371 /nfs/dbraw/zinc/05/73/71/343057371.db2.gz KKPCPGWGLHHNSW-UHFFFAOYSA-N 1 1 191.274 1.827 50 0 ADAAMO Cc1ccc(CN2CC[NH+](C)CC2)o1 19633933 343057401 /nfs/dbraw/zinc/05/74/01/343057401.db2.gz JUJADIVIEFWSQK-UHFFFAOYSA-N 1 1 194.278 1.335 50 0 ADAAMO C[C@H]1CC[C@H]([N@@H+](C)CCN(C)C)C1 19642237 343057488 /nfs/dbraw/zinc/05/74/88/343057488.db2.gz DLTSRPPQOXORJH-QWRGUYRKSA-N 1 1 184.327 1.668 50 0 ADAAMO CN(C)CC[N@H+](C)Cc1ccccc1 19607024 343057536 /nfs/dbraw/zinc/05/75/36/343057536.db2.gz IZWSMPBRVDZXBV-UHFFFAOYSA-N 1 1 192.306 1.680 50 0 ADAAMO CN(C)CC[N@@H+](C)Cc1ccccc1 19607024 343057539 /nfs/dbraw/zinc/05/75/39/343057539.db2.gz IZWSMPBRVDZXBV-UHFFFAOYSA-N 1 1 192.306 1.680 50 0 ADAAMO C[N@H+]1CCCN(Cc2ccco2)CC1 19537159 343057584 /nfs/dbraw/zinc/05/75/84/343057584.db2.gz LSCSTYOSEHNAJO-UHFFFAOYSA-N 1 1 194.278 1.417 50 0 ADAAMO CN1CCC[N@H+](Cc2ccco2)CC1 19537159 343057586 /nfs/dbraw/zinc/05/75/86/343057586.db2.gz LSCSTYOSEHNAJO-UHFFFAOYSA-N 1 1 194.278 1.417 50 0 ADAAMO CN1CCC[N@@H+](Cc2ccco2)CC1 19537159 343057588 /nfs/dbraw/zinc/05/75/88/343057588.db2.gz LSCSTYOSEHNAJO-UHFFFAOYSA-N 1 1 194.278 1.417 50 0 ADAAMO CN(C)CC[N@@H+](C)C[C@H]1CC=CCC1 19634986 343057611 /nfs/dbraw/zinc/05/76/11/343057611.db2.gz GACWGUYXVNKKDR-LBPRGKRZSA-N 1 1 196.338 1.836 50 0 ADAAMO C[NH+]1CCN(Cc2ccco2)CC1 19537237 343057626 /nfs/dbraw/zinc/05/76/26/343057626.db2.gz LWGSJFVSHKGMNI-UHFFFAOYSA-N 1 1 180.251 1.027 50 0 ADAAMO Cc1ccsc1C[NH+]1CCOCC1 19633624 343057633 /nfs/dbraw/zinc/05/76/33/343057633.db2.gz RUVLGSHKRVSEAA-UHFFFAOYSA-N 1 1 197.303 1.889 50 0 ADAAMO CC(C)N1C(=O)[C@H]([NH3+])c2ccccc21 19702171 343058525 /nfs/dbraw/zinc/05/85/25/343058525.db2.gz HWMNKLHWQPICDO-SNVBAGLBSA-N 1 1 190.246 1.441 50 0 ADAAMO Cc1cn[nH]c1[C@H]1CCC[NH2+]C1 19686222 343058537 /nfs/dbraw/zinc/05/85/37/343058537.db2.gz LXVFHAHBUWTXCW-QMMMGPOBSA-N 1 1 165.240 1.185 50 0 ADAAMO Cc1cn[nH]c1C1CC[NH2+]CC1 19686200 343058646 /nfs/dbraw/zinc/05/86/46/343058646.db2.gz LFOBDIZBSQDVSY-UHFFFAOYSA-N 1 1 165.240 1.185 50 0 in-vitro ADAAMO Cc1cn[nH]c1[C@@H]1CCC[NH2+]C1 19686220 343058680 /nfs/dbraw/zinc/05/86/80/343058680.db2.gz LXVFHAHBUWTXCW-MRVPVSSYSA-N 1 1 165.240 1.185 50 0 ADAAMO Cc1cccc(C[NH2+]CCN)c1 19732668 343059305 /nfs/dbraw/zinc/05/93/05/343059305.db2.gz IDBLZFZHJHWCFG-UHFFFAOYSA-N 1 1 164.252 1.043 50 0 ADAAMO C[N@@H+]1CCNC[C@@H]1c1ccccc1 19735519 343059335 /nfs/dbraw/zinc/05/93/35/343059335.db2.gz FUGQHVIDCRUGMP-LLVKDONJSA-N 1 1 176.263 1.263 50 0 ADAAMO C[N@H+]1CCNC[C@@H]1c1ccccc1 19735519 343059338 /nfs/dbraw/zinc/05/93/38/343059338.db2.gz FUGQHVIDCRUGMP-LLVKDONJSA-N 1 1 176.263 1.263 50 0 ADAAMO C[NH+](C)C[C@@H](N)c1ccccc1 19735617 343059360 /nfs/dbraw/zinc/05/93/60/343059360.db2.gz NPGAXSHDDOESHB-SNVBAGLBSA-N 1 1 164.252 1.248 50 0 in-vitro ADAAMO CCCN(CCC)CC[NH3+] 19735129 343059400 /nfs/dbraw/zinc/05/94/00/343059400.db2.gz DMDXQHYISPCTGF-UHFFFAOYSA-N 1 1 144.262 1.067 50 0 in-vitro ADAAMO Cc1ccc([C@H](CN)[NH+](C)C)cc1 19735750 343059463 /nfs/dbraw/zinc/05/94/63/343059463.db2.gz BBSADQGXHDVVCU-NSHDSACASA-N 1 1 178.279 1.556 50 0 in-vitro ADAAMO C[C@H]1CCC[C@H](C)N1CC[NH3+] 19735205 343059473 /nfs/dbraw/zinc/05/94/73/343059473.db2.gz DQQHMRVHTMHDGE-IUCAKERBSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO C[N@@H+]1CCNC[C@H]1c1ccccc1 19735520 343059526 /nfs/dbraw/zinc/05/95/26/343059526.db2.gz FUGQHVIDCRUGMP-NSHDSACASA-N 1 1 176.263 1.263 50 0 ADAAMO C[N@H+]1CCNC[C@H]1c1ccccc1 19735520 343059528 /nfs/dbraw/zinc/05/95/28/343059528.db2.gz FUGQHVIDCRUGMP-NSHDSACASA-N 1 1 176.263 1.263 50 0 ADAAMO C[NH+](C)C[C@H](N)c1ccccc1 19735618 343059553 /nfs/dbraw/zinc/05/95/53/343059553.db2.gz NPGAXSHDDOESHB-JTQLQIEISA-N 1 1 164.252 1.248 50 0 in-vitro ADAAMO Cc1ccc([C@@H](CN)[NH+](C)C)cc1 19735751 343059591 /nfs/dbraw/zinc/05/95/91/343059591.db2.gz BBSADQGXHDVVCU-LLVKDONJSA-N 1 1 178.279 1.556 50 0 in-vitro ADAAMO C[NH2+]CCCN(C)Cc1ccccc1 19736981 343059613 /nfs/dbraw/zinc/05/96/13/343059613.db2.gz CDRZWWQEJJUXDS-UHFFFAOYSA-N 1 1 192.306 1.728 50 0 in-vitro ADAAMO Cc1cccc2nc(CCC[NH3+])[nH]c12 19737049 343059814 /nfs/dbraw/zinc/05/98/14/343059814.db2.gz PIKFDVSAENEGKS-UHFFFAOYSA-N 1 1 189.262 1.763 50 0 ADAAMO C[C@H]1CCC[C@@H](C)[N@H+]1CCCO 19737138 343059901 /nfs/dbraw/zinc/05/99/01/343059901.db2.gz CRDBTWHALLRFOX-AOOOYVTPSA-N 1 1 171.284 1.632 50 0 ADAAMO Cc1cc(C)c2c(c1)NC(=O)[C@@H]2[NH3+] 19737110 343060048 /nfs/dbraw/zinc/06/00/48/343060048.db2.gz RNMGHNNYUXCJOW-SECBINFHSA-N 1 1 176.219 1.255 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@@H+]1[C@H](C)CN 19794310 343060203 /nfs/dbraw/zinc/06/02/03/343060203.db2.gz PJDPNPWWAPAAII-DTWKUNHWSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@H]1CCCCN1[C@H](C)C[NH3+] 19794310 343060204 /nfs/dbraw/zinc/06/02/04/343060204.db2.gz PJDPNPWWAPAAII-DTWKUNHWSA-N 1 1 156.273 1.208 50 0 ADAAMO Cc1cccc([C@H](CN)[NH+](C)C)c1 19795984 343060353 /nfs/dbraw/zinc/06/03/53/343060353.db2.gz WKDGNJWVKPLJCV-NSHDSACASA-N 1 1 178.279 1.556 50 0 ADAAMO CCc1ccc([C@H](CN)[NH+](C)C)cc1 19796017 343060381 /nfs/dbraw/zinc/06/03/81/343060381.db2.gz YDUYAUXCQVPGKS-LBPRGKRZSA-N 1 1 192.306 1.810 50 0 in-vitro ADAAMO CCc1ccc([C@@H](CN)[NH+](C)C)cc1 19796016 343060390 /nfs/dbraw/zinc/06/03/90/343060390.db2.gz YDUYAUXCQVPGKS-GFCCVEGCSA-N 1 1 192.306 1.810 50 0 in-vitro ADAAMO Cc1cccc([C@@H](CN)[NH+](C)C)c1 19795987 343060429 /nfs/dbraw/zinc/06/04/29/343060429.db2.gz WKDGNJWVKPLJCV-LLVKDONJSA-N 1 1 178.279 1.556 50 0 ADAAMO Cc1cc([NH+](C)C)ccc1N 19801491 343060899 /nfs/dbraw/zinc/06/08/99/343060899.db2.gz POKISONDDBRXBK-UHFFFAOYSA-N 1 1 150.225 1.643 50 0 in-vitro ADAAMO C[NH+](C)C[C@H](N)c1ccc(Cl)cc1 19821304 343061229 /nfs/dbraw/zinc/06/12/29/343061229.db2.gz DRPWRSKKGNNKEQ-JTQLQIEISA-N 1 1 198.697 1.901 50 0 in-vitro ADAAMO C[NH+](C)C[C@H](N)c1cccs1 19821507 343061271 /nfs/dbraw/zinc/06/12/71/343061271.db2.gz DFNDVNBHLCZMDQ-ZETCQYMHSA-N 1 1 170.281 1.310 50 0 ADAAMO C[NH+](C)C[C@@H](N)c1ccc(Cl)cc1 19821302 343061417 /nfs/dbraw/zinc/06/14/17/343061417.db2.gz DRPWRSKKGNNKEQ-SNVBAGLBSA-N 1 1 198.697 1.901 50 0 in-vitro ADAAMO C[NH+](C)C[C@@H](N)c1ccc(F)cc1 19821250 343061462 /nfs/dbraw/zinc/06/14/62/343061462.db2.gz DCPXWPIELFCMFQ-SNVBAGLBSA-N 1 1 182.242 1.387 50 0 ADAAMO C[NH+](C)C[C@H](N)c1ccc(F)cc1 19821252 343061625 /nfs/dbraw/zinc/06/16/25/343061625.db2.gz DCPXWPIELFCMFQ-JTQLQIEISA-N 1 1 182.242 1.387 50 0 ADAAMO C[NH+](C)C[C@@H](N)c1cccs1 19821505 343061638 /nfs/dbraw/zinc/06/16/38/343061638.db2.gz DFNDVNBHLCZMDQ-SSDOTTSWSA-N 1 1 170.281 1.310 50 0 ADAAMO CCCC[N@H+]1CCCC[C@@H]1CN 19843351 343061814 /nfs/dbraw/zinc/06/18/14/343061814.db2.gz RNIKYSSEZFTHHG-SNVBAGLBSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CCCCN1CCCC[C@@H]1C[NH3+] 19843351 343061817 /nfs/dbraw/zinc/06/18/17/343061817.db2.gz RNIKYSSEZFTHHG-SNVBAGLBSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CCC[N@H+]1CCCC[C@@H]1CN 19843363 343061849 /nfs/dbraw/zinc/06/18/49/343061849.db2.gz RUZPSFUHBCXGLY-SECBINFHSA-N 1 1 156.273 1.210 50 0 ADAAMO CCCN1CCCC[C@@H]1C[NH3+] 19843363 343061852 /nfs/dbraw/zinc/06/18/52/343061852.db2.gz RUZPSFUHBCXGLY-SECBINFHSA-N 1 1 156.273 1.210 50 0 ADAAMO CCC[N@H+]1CCCC[C@H]1CN 19843364 343062111 /nfs/dbraw/zinc/06/21/11/343062111.db2.gz RUZPSFUHBCXGLY-VIFPVBQESA-N 1 1 156.273 1.210 50 0 ADAAMO CCCN1CCCC[C@H]1C[NH3+] 19843364 343062113 /nfs/dbraw/zinc/06/21/13/343062113.db2.gz RUZPSFUHBCXGLY-VIFPVBQESA-N 1 1 156.273 1.210 50 0 ADAAMO Cc1[nH+]ccn1-c1ccc(N)nc1 19868845 343062703 /nfs/dbraw/zinc/06/27/03/343062703.db2.gz RPVDQJLVXGKUOE-UHFFFAOYSA-N 1 1 174.207 1.158 50 0 ADAAMO CCC(CC)C[NH2+]CC(=O)OC 19885290 343063581 /nfs/dbraw/zinc/06/35/81/343063581.db2.gz OBINSAKTRJJQMD-UHFFFAOYSA-N 1 1 173.256 1.185 50 0 ADAAMO C[NH+](C)Cc1nc2ccccc2[nH]1 19894616 343063881 /nfs/dbraw/zinc/06/38/81/343063881.db2.gz RKDCAGYQGMMYDS-UHFFFAOYSA-N 1 1 175.235 1.625 50 0 ADAAMO CCCC[NH2+]C1CCN(CC)CC1 19906927 343064269 /nfs/dbraw/zinc/06/42/69/343064269.db2.gz LNDZHXVMNROPGQ-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 ADAAMO CN1C(=O)[C@H]([NH3+])c2cc(Cl)ccc21 19944148 343065019 /nfs/dbraw/zinc/06/50/19/343065019.db2.gz DUFDJMVCNFJXCZ-MRVPVSSYSA-N 1 1 196.637 1.316 50 0 ADAAMO CCc1noc([C@@H]2CCCC[NH2+]2)n1 20005803 343065721 /nfs/dbraw/zinc/06/57/21/343065721.db2.gz CWZIRHZDSOSSKD-ZETCQYMHSA-N 1 1 181.239 1.447 50 0 in-vitro ADAAMO CCc1noc([C@H]2CCCC[NH2+]2)n1 20005806 343065930 /nfs/dbraw/zinc/06/59/30/343065930.db2.gz CWZIRHZDSOSSKD-SSDOTTSWSA-N 1 1 181.239 1.447 50 0 in-vitro ADAAMO CNCC[NH+](C(C)C)C(C)C 20039315 343066361 /nfs/dbraw/zinc/06/63/61/343066361.db2.gz POBBCNIVOVKLLB-UHFFFAOYSA-N 1 1 158.289 1.325 50 0 in-vitro ADAAMO CN(C)[C@@H]1CCc2ccccc2[C@H]1[NH3+] 20260364 343070265 /nfs/dbraw/zinc/07/02/65/343070265.db2.gz HJAPAZGVMSKZEY-VXGBXAGGSA-N 1 1 190.290 1.563 50 0 in-vitro ADAAMO CN(C)[C@@H]1CCc2ccccc2[C@@H]1[NH3+] 20260360 343070371 /nfs/dbraw/zinc/07/03/71/343070371.db2.gz HJAPAZGVMSKZEY-NEPJUHHUSA-N 1 1 190.290 1.563 50 0 in-vitro ADAAMO CN(C)[C@H]1CCc2ccccc2[C@@H]1[NH3+] 20260362 343070395 /nfs/dbraw/zinc/07/03/95/343070395.db2.gz HJAPAZGVMSKZEY-RYUDHWBXSA-N 1 1 190.290 1.563 50 0 in-vitro ADAAMO Cc1cccc(-c2noc(C[NH3+])n2)c1 20268648 343070665 /nfs/dbraw/zinc/07/06/65/343070665.db2.gz HRHVRIMSCQMKHP-UHFFFAOYSA-N 1 1 189.218 1.504 50 0 in-vitro ADAAMO CCCCNc1[nH+]cccc1N 20278612 343070703 /nfs/dbraw/zinc/07/07/03/343070703.db2.gz NQPVPVUORROSIB-UHFFFAOYSA-N 1 1 165.240 1.876 50 0 ADAAMO CC[C@H](C)Nc1[nH+]cccc1N 20278602 343070788 /nfs/dbraw/zinc/07/07/88/343070788.db2.gz XQFFMQOBEOLHPG-ZETCQYMHSA-N 1 1 165.240 1.874 50 0 ADAAMO CCCCCC[NH+]1CCNCC1 20369006 343072437 /nfs/dbraw/zinc/07/24/37/343072437.db2.gz WRFUXAYDZDQDKY-UHFFFAOYSA-N 1 1 170.300 1.472 50 0 in-vitro ADAAMO Cc1nc(N)cc(C(C)C)[nH+]1 20427066 343073272 /nfs/dbraw/zinc/07/32/72/343073272.db2.gz FNCJZLLRTUWMMJ-UHFFFAOYSA-N 1 1 151.213 1.491 50 0 in-vitro ADAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 20905567 343074598 /nfs/dbraw/zinc/07/45/98/343074598.db2.gz BISRFKSWMGVAPR-JTQLQIEISA-N 1 1 198.310 1.197 50 0 ADAAMO CCCN1CCC([NH2+]C)CC1 21960641 343076338 /nfs/dbraw/zinc/07/63/38/343076338.db2.gz SEELONCGWFEVLF-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CC(C)c1[nH]nc2c1C[NH2+]CC2 21953418 343076392 /nfs/dbraw/zinc/07/63/92/343076392.db2.gz ZPSMLHACCMACCN-UHFFFAOYSA-N 1 1 165.240 1.179 50 0 in-vitro ADAAMO C[C@H]1CCC[C@H](N2CC[NH2+]CC2)C1 21953549 343076515 /nfs/dbraw/zinc/07/65/15/343076515.db2.gz WZVDAEOTVAOPNR-QWRGUYRKSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO Cc1ccc2nc(C[NH3+])[nH]c2c1C 21953304 343076587 /nfs/dbraw/zinc/07/65/87/343076587.db2.gz GVVHWCQLKPLUNZ-UHFFFAOYSA-N 1 1 175.235 1.638 50 0 ADAAMO C[C@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 21953543 343076645 /nfs/dbraw/zinc/07/66/45/343076645.db2.gz WZVDAEOTVAOPNR-WDEREUQCSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@H](NCC[NH+](C)C)c1ccccn1 21961411 343076656 /nfs/dbraw/zinc/07/66/56/343076656.db2.gz TUUNCPPDLUENHP-JTQLQIEISA-N 1 1 193.294 1.294 50 0 ADAAMO CCc1ccc[nH+]c1N 21985770 343076847 /nfs/dbraw/zinc/07/68/47/343076847.db2.gz WTAZAHLROWIQRC-UHFFFAOYSA-N 1 1 122.171 1.226 50 0 in-vitro ADAAMO CCC(CC)N1CC[NH2+]CC1 22029062 343077607 /nfs/dbraw/zinc/07/76/07/343077607.db2.gz IVPIAQOAOCEOKM-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO C[N@H+]1CC[C@H](c2cccnc2)C1 22061537 343078161 /nfs/dbraw/zinc/07/81/61/343078161.db2.gz UEIZUEWXLJOVLD-JTQLQIEISA-N 1 1 162.236 1.501 50 0 in-vitro ADAAMO C[N@@H+]1CCC[C@H]1c1cncc(C=O)c1 22064486 343078331 /nfs/dbraw/zinc/07/83/31/343078331.db2.gz UNEQTJXXUQPCGD-NSHDSACASA-N 1 1 190.246 1.661 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@H]1c1cncc(C=O)c1 22064486 343078332 /nfs/dbraw/zinc/07/83/32/343078332.db2.gz UNEQTJXXUQPCGD-NSHDSACASA-N 1 1 190.246 1.661 50 0 in-vitro ADAAMO CC[C@@H](C[NH3+])N1CCC(C)CC1 22178010 343080359 /nfs/dbraw/zinc/08/03/59/343080359.db2.gz MPVDGJTZDIASNE-JTQLQIEISA-N 1 1 170.300 1.456 50 0 ADAAMO C[NH+](C)CCNCc1cccc(F)c1 22145159 343079856 /nfs/dbraw/zinc/07/98/56/343079856.db2.gz VDIIWRKMWWZQOY-UHFFFAOYSA-N 1 1 196.269 1.477 50 0 ADAAMO CC[C@H](C[NH3+])N1CCC(C)CC1 22178013 343080129 /nfs/dbraw/zinc/08/01/29/343080129.db2.gz MPVDGJTZDIASNE-SNVBAGLBSA-N 1 1 170.300 1.456 50 0 ADAAMO C[C@H](N)C[N@H+]1CCC[C@@H](C)C1 22168430 343080151 /nfs/dbraw/zinc/08/01/51/343080151.db2.gz OPSPNTUNGOXOIC-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]([NH3+])CN1CCC[C@@H](C)C1 22168430 343080153 /nfs/dbraw/zinc/08/01/53/343080153.db2.gz OPSPNTUNGOXOIC-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CN(C)c1ccc(N)c2c[nH+]ccc12 22222445 343081026 /nfs/dbraw/zinc/08/10/26/343081026.db2.gz GWQUMGOASNPGIK-UHFFFAOYSA-N 1 1 187.246 1.883 50 0 in-vitro ADAAMO C[NH+](C)CCNCc1cccc(O)c1 22218736 343081048 /nfs/dbraw/zinc/08/10/48/343081048.db2.gz VUSLIJKHGUZALY-UHFFFAOYSA-N 1 1 194.278 1.043 50 0 ADAAMO Cc1ccc([C@@H](CN)[NH+]2CCCC2)o1 22223182 343081072 /nfs/dbraw/zinc/08/10/72/343081072.db2.gz ZYSRLRPCZLJNIW-SNVBAGLBSA-N 1 1 194.278 1.684 50 0 in-vitro ADAAMO C[C@@H]1NC(C)(C)[C@@H](C)[NH2+]C1(C)C 22239181 343081180 /nfs/dbraw/zinc/08/11/80/343081180.db2.gz YQEWJOZJNGZCIT-OCAPTIKFSA-N 1 1 170.300 1.513 50 0 ADAAMO Cc1ccc([C@H](CN)[NH+]2CCCC2)o1 22223184 343081227 /nfs/dbraw/zinc/08/12/27/343081227.db2.gz ZYSRLRPCZLJNIW-JTQLQIEISA-N 1 1 194.278 1.684 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)CN)C1 22216995 343081291 /nfs/dbraw/zinc/08/12/91/343081291.db2.gz WGEAIYISKQEKLT-AEJSXWLSSA-N 1 1 170.300 1.312 50 0 ADAAMO C[N@@H+]1CCC[C@@H]1CN1CCCCC1 22586404 343081720 /nfs/dbraw/zinc/08/17/20/343081720.db2.gz VCVPSRADUBPOKJ-LLVKDONJSA-N 1 1 182.311 1.567 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@@H]1CN1CCCCC1 22586404 343081723 /nfs/dbraw/zinc/08/17/23/343081723.db2.gz VCVPSRADUBPOKJ-LLVKDONJSA-N 1 1 182.311 1.567 50 0 in-vitro ADAAMO C[N@@H+]1CCC[C@H]1CN1CCCCC1 22576341 343081839 /nfs/dbraw/zinc/08/18/39/343081839.db2.gz VCVPSRADUBPOKJ-NSHDSACASA-N 1 1 182.311 1.567 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@H]1CN1CCCCC1 22576341 343081841 /nfs/dbraw/zinc/08/18/41/343081841.db2.gz VCVPSRADUBPOKJ-NSHDSACASA-N 1 1 182.311 1.567 50 0 in-vitro ADAAMO CCC(CC)CN1CC[NH2+]CC1 22752494 343082300 /nfs/dbraw/zinc/08/23/00/343082300.db2.gz BLMJWLVGFVHJKW-UHFFFAOYSA-N 1 1 170.300 1.328 50 0 in-vitro ADAAMO c1cc(C[NH+]2CCSCC2)co1 22779441 343082487 /nfs/dbraw/zinc/08/24/87/343082487.db2.gz NBDUCJMICJQMQJ-UHFFFAOYSA-N 1 1 183.276 1.828 50 0 ADAAMO C[C@H](CN)[NH2+]Cc1ccccc1 22873857 343082497 /nfs/dbraw/zinc/08/24/97/343082497.db2.gz LHNRUKBQFAJHLL-SECBINFHSA-N 1 1 164.252 1.123 50 0 ADAAMO CCC(CC)[C@H](C[NH3+])N(C)C 22921632 343082685 /nfs/dbraw/zinc/08/26/85/343082685.db2.gz KSMHCPGLPFFCFA-VIFPVBQESA-N 1 1 158.289 1.312 50 0 in-vitro ADAAMO CCC(CC)[C@@H](C[NH3+])N(C)C 22921627 343082814 /nfs/dbraw/zinc/08/28/14/343082814.db2.gz KSMHCPGLPFFCFA-SECBINFHSA-N 1 1 158.289 1.312 50 0 in-vitro ADAAMO CC[C@@H]1CNCC[N@H+]1C(C)C 22936018 343082832 /nfs/dbraw/zinc/08/28/32/343082832.db2.gz PBGUJJXVCZDTGC-SECBINFHSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[C@@H]1C[NH2+]CCN1C(C)C 22936018 343082833 /nfs/dbraw/zinc/08/28/33/343082833.db2.gz PBGUJJXVCZDTGC-SECBINFHSA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[C@H]1CNCC[N@H+]1C(C)C 22936021 343082884 /nfs/dbraw/zinc/08/28/84/343082884.db2.gz PBGUJJXVCZDTGC-VIFPVBQESA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC[C@H]1C[NH2+]CCN1C(C)C 22936021 343082885 /nfs/dbraw/zinc/08/28/85/343082885.db2.gz PBGUJJXVCZDTGC-VIFPVBQESA-N 1 1 156.273 1.079 50 0 in-vitro ADAAMO CC1CCC(N2CC[NH2+]CC2)CC1 22924962 343083001 /nfs/dbraw/zinc/08/30/01/343083001.db2.gz JSPCWYQQBFGMBJ-UHFFFAOYSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO CC[C@H](C[NH3+])N1CCCCC1 23070855 343083446 /nfs/dbraw/zinc/08/34/46/343083446.db2.gz GAESVMYMWLXWCU-SECBINFHSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC1CCC([NH2+]N2CCOCC2)CC1 23283507 343083457 /nfs/dbraw/zinc/08/34/57/343083457.db2.gz PAEUDQKSOCYZNV-UHFFFAOYSA-N 1 1 198.310 1.402 50 0 ADAAMO CC[C@@H](C[NH3+])N1CCCCC1 23070854 343083490 /nfs/dbraw/zinc/08/34/90/343083490.db2.gz GAESVMYMWLXWCU-VIFPVBQESA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO Cc1nc[nH]c1C[NH+]1CCSCC1 23282013 343083563 /nfs/dbraw/zinc/08/35/63/343083563.db2.gz YDIZOJQMLCVDKO-UHFFFAOYSA-N 1 1 197.307 1.267 50 0 ADAAMO Cc1noc(C)c1Cn1cc[nH+]c1C 24547632 343086119 /nfs/dbraw/zinc/08/61/19/343086119.db2.gz CWEIICWITDRJIG-UHFFFAOYSA-N 1 1 191.234 1.845 50 0 ADAAMO Cc1c[nH+]c2ccccn12 26042363 343087323 /nfs/dbraw/zinc/08/73/23/343087323.db2.gz DLTHEPWEENQLKV-UHFFFAOYSA-N 1 1 132.166 1.643 50 0 ADAAMO Cc1c[nH+]c2cccc(N)n12 30677913 343093022 /nfs/dbraw/zinc/09/30/22/343093022.db2.gz NXBRSDDSAAEVHN-UHFFFAOYSA-N 1 1 147.181 1.225 50 0 in-vitro ADAAMO C[N@H+]1CCc2ccc(N)cc2C1 32006133 343095709 /nfs/dbraw/zinc/09/57/09/343095709.db2.gz VRKLIVSHUQSRNF-UHFFFAOYSA-N 1 1 162.236 1.257 50 0 in-vitro ADAAMO Cc1cc(C[NH+]2CCOCC2)c(C)[nH]1 32023716 343097119 /nfs/dbraw/zinc/09/71/19/343097119.db2.gz LPRYSLZZXYCHOE-UHFFFAOYSA-N 1 1 194.278 1.464 50 0 ADAAMO Cc1ccc[nH+]c1N(C)C 32133677 343097658 /nfs/dbraw/zinc/09/76/58/343097658.db2.gz VYZOGOFUXPZLKI-UHFFFAOYSA-N 1 1 136.198 1.456 50 0 in-vitro ADAAMO CCn1c[nH+]cc1C 32167271 343099428 /nfs/dbraw/zinc/09/94/28/343099428.db2.gz IYEDUTIYEAAFPU-UHFFFAOYSA-N 1 1 110.160 1.211 50 0 ADAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CO 32189048 343100179 /nfs/dbraw/zinc/10/01/79/343100179.db2.gz SWUVPLABKHJMQA-LLVKDONJSA-N 1 1 177.247 1.035 50 0 ADAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](O)C[C@@H]1C 32192540 343100568 /nfs/dbraw/zinc/10/05/68/343100568.db2.gz LOJBMEUIYQOYTE-UTLUCORTSA-N 1 1 171.284 1.486 50 0 ADAAMO CC(C)(C)[N@@H+]1CCCC(=O)C1 32230786 343102019 /nfs/dbraw/zinc/10/20/19/343102019.db2.gz ZOKNFFFUUAYYSK-UHFFFAOYSA-N 1 1 155.241 1.450 50 0 ADAAMO CC(C)(C)[N@H+]1CCCC(=O)C1 32230786 343102020 /nfs/dbraw/zinc/10/20/20/343102020.db2.gz ZOKNFFFUUAYYSK-UHFFFAOYSA-N 1 1 155.241 1.450 50 0 ADAAMO CC[C@H]([NH3+])CN1CCC(C)CC1 32497045 343102113 /nfs/dbraw/zinc/10/21/13/343102113.db2.gz KUVAPQHVIWXCEO-JTQLQIEISA-N 1 1 170.300 1.456 50 0 ADAAMO CC[C@H](N)C[NH+]1CCC(C)CC1 32497045 343102116 /nfs/dbraw/zinc/10/21/16/343102116.db2.gz KUVAPQHVIWXCEO-JTQLQIEISA-N 1 1 170.300 1.456 50 0 ADAAMO CC1CCN(C(C)(C)C[NH3+])CC1 32445540 343102121 /nfs/dbraw/zinc/10/21/21/343102121.db2.gz NHAIMMHBFBAOOZ-UHFFFAOYSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@H](C[NH3+])N1CCCCCC1 32497047 343102251 /nfs/dbraw/zinc/10/22/51/343102251.db2.gz LNUMREOZJKDEOF-SECBINFHSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO Cc1ccc([C@H]2CNCC[NH2+]2)cc1 32499142 343102319 /nfs/dbraw/zinc/10/23/19/343102319.db2.gz FCNXNUWTNOYQME-LLVKDONJSA-N 1 1 176.263 1.229 50 0 ADAAMO Cc1ccc([C@@H]2CNCC[NH2+]2)cc1 32499141 343102337 /nfs/dbraw/zinc/10/23/37/343102337.db2.gz FCNXNUWTNOYQME-NSHDSACASA-N 1 1 176.263 1.229 50 0 ADAAMO CC[C@H]([NH3+])CN1CCCCC1 32497043 343102340 /nfs/dbraw/zinc/10/23/40/343102340.db2.gz JIQRJXYTQMTWIY-VIFPVBQESA-N 1 1 156.273 1.210 50 0 ADAAMO CC[C@H](N)C[NH+]1CCCCC1 32497043 343102341 /nfs/dbraw/zinc/10/23/41/343102341.db2.gz JIQRJXYTQMTWIY-VIFPVBQESA-N 1 1 156.273 1.210 50 0 ADAAMO CC[C@@H](N)C[NH+]1CCC(C)CC1 32497044 343102421 /nfs/dbraw/zinc/10/24/21/343102421.db2.gz KUVAPQHVIWXCEO-SNVBAGLBSA-N 1 1 170.300 1.456 50 0 ADAAMO CC[C@@H]([NH3+])CN1CCC(C)CC1 32497044 343102419 /nfs/dbraw/zinc/10/24/19/343102419.db2.gz KUVAPQHVIWXCEO-SNVBAGLBSA-N 1 1 170.300 1.456 50 0 ADAAMO CCC1CC[NH+](CCN)CC1 32445508 343102429 /nfs/dbraw/zinc/10/24/29/343102429.db2.gz IUURUDXVDZPRHL-UHFFFAOYSA-N 1 1 156.273 1.067 50 0 in-vitro ADAAMO CC(C)(C)[N@H+]1C[C@@H]2CC[C@H](C1)C2=O 32628297 343102642 /nfs/dbraw/zinc/10/26/42/343102642.db2.gz ULYNZYHJGBWFLO-DTORHVGOSA-N 1 1 181.279 1.696 50 0 in-vitro ADAAMO CC1CCN(C[C@@H](C)[NH3+])CC1 32553268 343102699 /nfs/dbraw/zinc/10/26/99/343102699.db2.gz KLMZEKWPJSIPOG-SECBINFHSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CC1CC[NH+](C[C@@H](C)N)CC1 32553268 343102701 /nfs/dbraw/zinc/10/27/01/343102701.db2.gz KLMZEKWPJSIPOG-SECBINFHSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CC1CCN(C[C@H](C)[NH3+])CC1 32553269 343102754 /nfs/dbraw/zinc/10/27/54/343102754.db2.gz KLMZEKWPJSIPOG-VIFPVBQESA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CC1CC[NH+](C[C@H](C)N)CC1 32553269 343102755 /nfs/dbraw/zinc/10/27/55/343102755.db2.gz KLMZEKWPJSIPOG-VIFPVBQESA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 32751281 343103422 /nfs/dbraw/zinc/10/34/22/343103422.db2.gz XFGMXWZXBFQKLU-UWVGGRQHSA-N 1 1 198.310 1.195 50 0 ADAAMO CC[C@H](C)C(=O)N1CC[NH+](CC)CC1 32895416 343103554 /nfs/dbraw/zinc/10/35/54/343103554.db2.gz VNOSSUBWTRBXAP-JTQLQIEISA-N 1 1 198.310 1.197 50 0 ADAAMO CCc1nnc(C[NH+]2CCCC2)o1 32863645 343103591 /nfs/dbraw/zinc/10/35/91/343103591.db2.gz LVZDUOMSDJMZFE-UHFFFAOYSA-N 1 1 181.239 1.228 50 0 ADAAMO Cc1cc(C)c(C[NH2+]CCN)c(C)c1 32919768 343103892 /nfs/dbraw/zinc/10/38/92/343103892.db2.gz VQIIZMDRJLGTLK-UHFFFAOYSA-N 1 1 192.306 1.660 50 0 ADAAMO Cc1[nH]c2ccc(O)cc2[nH+]1 32915072 343103988 /nfs/dbraw/zinc/10/39/88/343103988.db2.gz TXOLHBXPXDTNOY-UHFFFAOYSA-N 1 1 148.165 1.577 50 0 in-vitro ADAAMO Cc1cccc2nc(C[NH3+])[nH]c12 33414697 343104661 /nfs/dbraw/zinc/10/46/61/343104661.db2.gz FWWGSHDHYQHMBR-UHFFFAOYSA-N 1 1 161.208 1.330 50 0 in-vitro ADAAMO C[N@@H+]1CC=C(c2cccc(N)c2)CC1 33487548 343105156 /nfs/dbraw/zinc/10/51/56/343105156.db2.gz XXFOMXBPZIXRAX-UHFFFAOYSA-N 1 1 188.274 1.988 50 0 in-vitro ADAAMO CNC1(c2ccccc2)CC[NH2+]CC1 33966237 343108637 /nfs/dbraw/zinc/10/86/37/343108637.db2.gz UORMPYQLQRCWRN-UHFFFAOYSA-N 1 1 190.290 1.485 50 0 ADAAMO CCC[N@H+]1CCC[C@H](C(=O)OCC)C1 34184531 343112836 /nfs/dbraw/zinc/11/28/36/343112836.db2.gz BNVQQLWILKDWEI-JTQLQIEISA-N 1 1 199.294 1.672 50 0 ADAAMO CCC[N@H+]1CCC[C@@H](C(=O)OCC)C1 34184532 343112994 /nfs/dbraw/zinc/11/29/94/343112994.db2.gz BNVQQLWILKDWEI-SNVBAGLBSA-N 1 1 199.294 1.672 50 0 ADAAMO Cc1cccc2[nH]c(N)[nH+]c12 34410850 343118657 /nfs/dbraw/zinc/11/86/57/343118657.db2.gz JYYASXKOESRUKU-UHFFFAOYSA-N 1 1 147.181 1.454 50 0 in-vitro ADAAMO C[N@H+]1[C@@H]2CC=C[C@H]1CC2 34448094 343119270 /nfs/dbraw/zinc/11/92/70/343119270.db2.gz RNHFKJBXKFGPIY-JGVFFNPUSA-N 1 1 123.199 1.409 50 0 ADAAMO Cc1ccc2nc(C[NH3+])oc2c1 34924873 343125608 /nfs/dbraw/zinc/12/56/08/343125608.db2.gz UQOYVRFARZYMJF-UHFFFAOYSA-N 1 1 162.192 1.595 50 0 ADAAMO Cc1ccc2oc(C[NH3+])nc2c1 34924839 343125624 /nfs/dbraw/zinc/12/56/24/343125624.db2.gz CAMYACYQXPBFRW-UHFFFAOYSA-N 1 1 162.192 1.595 50 0 ADAAMO C[C@H]([NH3+])c1nc2ccccc2o1 34939372 343125850 /nfs/dbraw/zinc/12/58/50/343125850.db2.gz RAMYOLVPQWSXTB-LURJTMIESA-N 1 1 162.192 1.848 50 0 in-vitro ADAAMO CCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 35598590 343133195 /nfs/dbraw/zinc/13/31/95/343133195.db2.gz QDWRCNCPOBBLRJ-ZJUUUORDSA-N 1 1 171.284 1.489 50 0 in-vitro ADAAMO CCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 35598591 343133348 /nfs/dbraw/zinc/13/33/48/343133348.db2.gz QDWRCNCPOBBLRJ-NXEZZACHSA-N 1 1 171.284 1.489 50 0 in-vitro ADAAMO CC[C@H]1CCCC[N@H+]1CCC(=O)OC 35605637 343134765 /nfs/dbraw/zinc/13/47/65/343134765.db2.gz LELFTYBWHOFPBS-JTQLQIEISA-N 1 1 199.294 1.814 50 0 ADAAMO CC[C@@H]1CCCC[N@H+]1CCC(=O)OC 35605633 343134781 /nfs/dbraw/zinc/13/47/81/343134781.db2.gz LELFTYBWHOFPBS-SNVBAGLBSA-N 1 1 199.294 1.814 50 0 ADAAMO C[C@H]1CCC[C@@H](C)[N@H+]1CCO 35649810 343135650 /nfs/dbraw/zinc/13/56/50/343135650.db2.gz NJBXJPLWOZJAJJ-DTORHVGOSA-N 1 1 157.257 1.242 50 0 ADAAMO Cc1cc(N)nc(C(C)C)[nH+]1 35663821 343136010 /nfs/dbraw/zinc/13/60/10/343136010.db2.gz XHGGSKDDBNJABS-UHFFFAOYSA-N 1 1 151.213 1.491 50 0 ADAAMO Cc1ccc([C@H]([NH3+])CN)c(C)c1 35677060 343136764 /nfs/dbraw/zinc/13/67/64/343136764.db2.gz SNWQYHLWTPSPAH-SNVBAGLBSA-N 1 1 164.252 1.262 50 0 ADAAMO Cc1ccc([C@@H]([NH3+])CN)c(C)c1 35677061 343136866 /nfs/dbraw/zinc/13/68/66/343136866.db2.gz SNWQYHLWTPSPAH-JTQLQIEISA-N 1 1 164.252 1.262 50 0 ADAAMO C[NH2+]C1(C(=O)OC)CCCCC1 37447927 343168777 /nfs/dbraw/zinc/16/87/77/343168777.db2.gz VVFFJVYBIIFJOA-UHFFFAOYSA-N 1 1 171.240 1.082 50 0 in-vitro ADAAMO CN(C)C[C@@H](C[NH3+])c1ccccc1 35731344 343137407 /nfs/dbraw/zinc/13/74/07/343137407.db2.gz BPSNGMQZDKJFAU-LLVKDONJSA-N 1 1 178.279 1.291 50 0 in-vitro ADAAMO CN(C)C[C@H](C[NH3+])c1ccccc1 35731345 343137531 /nfs/dbraw/zinc/13/75/31/343137531.db2.gz BPSNGMQZDKJFAU-NSHDSACASA-N 1 1 178.279 1.291 50 0 in-vitro ADAAMO Cc1nnc([C@H]2CCCC[NH2+]2)o1 36154343 343140504 /nfs/dbraw/zinc/14/05/04/343140504.db2.gz ZKWQDFLBFZKITJ-SSDOTTSWSA-N 1 1 167.212 1.193 50 0 ADAAMO C[C@H]1CCC2=C1[NH+]=CCN2 36173607 343141182 /nfs/dbraw/zinc/14/11/82/343141182.db2.gz COSMFKAROKURLX-LURJTMIESA-N 1 1 136.198 1.302 50 0 ADAAMO CC[C@H]1CCC[N@H+](C(C)(C)CN)C1 36169221 343141201 /nfs/dbraw/zinc/14/12/01/343141201.db2.gz LCHLPUJNGYUNFJ-JTQLQIEISA-N 1 1 184.327 1.846 50 0 in-vitro ADAAMO CC[C@H]1CCC[N@@H+](CCO)C1 36170311 343141208 /nfs/dbraw/zinc/14/12/08/343141208.db2.gz FFDUYCRRUNOMCB-VIFPVBQESA-N 1 1 157.257 1.101 50 0 ADAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CN)C1 36169220 343141358 /nfs/dbraw/zinc/14/13/58/343141358.db2.gz LCHLPUJNGYUNFJ-SNVBAGLBSA-N 1 1 184.327 1.846 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 36435332 343145264 /nfs/dbraw/zinc/14/52/64/343145264.db2.gz XFGMXWZXBFQKLU-NXEZZACHSA-N 1 1 198.310 1.195 50 0 ADAAMO C[N@H+]1CCC(=O)[C@@H]2CCC[C@@H]21 36437707 343145491 /nfs/dbraw/zinc/14/54/91/343145491.db2.gz YGEYYJFGMWCUNV-SFYZADRCSA-N 1 1 153.225 1.060 50 0 in-vitro ADAAMO C[C@H]1CCCc2[nH+]ccn21 36458553 343145867 /nfs/dbraw/zinc/14/58/67/343145867.db2.gz XJNCBRUNUDZBFK-ZETCQYMHSA-N 1 1 136.198 1.780 50 0 in-vitro ADAAMO Cc1nc([C@@H]([NH3+])c2ccccc2)no1 36762169 343149406 /nfs/dbraw/zinc/14/94/06/343149406.db2.gz OJIBNRAWDRZTNF-VIFPVBQESA-N 1 1 189.218 1.426 50 0 ADAAMO Cc1nc([C@H]([NH3+])c2ccccc2)no1 36762168 343149695 /nfs/dbraw/zinc/14/96/95/343149695.db2.gz OJIBNRAWDRZTNF-SECBINFHSA-N 1 1 189.218 1.426 50 0 ADAAMO C[C@H]1CCC[N@H+](C[C@@H](C)N)C1 36874766 343152069 /nfs/dbraw/zinc/15/20/69/343152069.db2.gz OPSPNTUNGOXOIC-DTWKUNHWSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]1CCCN(C[C@@H](C)[NH3+])C1 36874766 343152071 /nfs/dbraw/zinc/15/20/71/343152071.db2.gz OPSPNTUNGOXOIC-DTWKUNHWSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1ncc(C(F)(F)F)[nH]1 36872127 343152430 /nfs/dbraw/zinc/15/24/30/343152430.db2.gz NHVNMNALXYHXDM-VKHMYHEASA-N 1 1 179.145 1.448 50 0 ADAAMO Cc1[nH]ncc1C[NH2+][C@H](C)C(C)C 36901721 343153883 /nfs/dbraw/zinc/15/38/83/343153883.db2.gz LBUXQNBRURWCSR-MRVPVSSYSA-N 1 1 181.283 1.852 50 0 ADAAMO Cc1[nH]ncc1C[NH2+][C@@H](C)C(C)C 36901720 343153955 /nfs/dbraw/zinc/15/39/55/343153955.db2.gz LBUXQNBRURWCSR-QMMMGPOBSA-N 1 1 181.283 1.852 50 0 ADAAMO Cc1[nH]ncc1C[NH2+]CC1CC1 36901407 343154060 /nfs/dbraw/zinc/15/40/60/343154060.db2.gz RJHNJCIWUSKJSA-UHFFFAOYSA-N 1 1 165.240 1.218 50 0 ADAAMO CCC[NH2+]CC(F)F 36947848 343155968 /nfs/dbraw/zinc/15/59/68/343155968.db2.gz KOKUXMUYTYYZTN-UHFFFAOYSA-N 1 1 123.146 1.251 50 0 ADAAMO CCCC[N@@H+](C)CCC(=O)OCC 36984826 343156908 /nfs/dbraw/zinc/15/69/08/343156908.db2.gz JIMCZHRLUZOJGY-UHFFFAOYSA-N 1 1 187.283 1.672 50 0 ADAAMO CCC[N@H+]1Cc2ccc(N)cc2C1 36988185 343157319 /nfs/dbraw/zinc/15/73/19/343157319.db2.gz OTVMJIZBIJQTPX-UHFFFAOYSA-N 1 1 176.263 1.994 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1cncc(Cl)n1 37066144 343157808 /nfs/dbraw/zinc/15/78/08/343157808.db2.gz VKNNSTPPZCFKNK-UHFFFAOYSA-N 1 1 194.625 1.624 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1ccc(Cl)nn1 37066143 343158074 /nfs/dbraw/zinc/15/80/74/343158074.db2.gz WGTWDBZNRRDAFS-UHFFFAOYSA-N 1 1 194.625 1.624 50 0 in-vitro ADAAMO CC[C@@H](C)C[N@@H+](C)CCC(=O)OC 37173654 343161990 /nfs/dbraw/zinc/16/19/90/343161990.db2.gz IZIMQTJDEPRQRT-SECBINFHSA-N 1 1 187.283 1.527 50 0 ADAAMO CC[C@H](C)C[N@@H+](C)CCC(=O)OC 37173655 343162108 /nfs/dbraw/zinc/16/21/08/343162108.db2.gz IZIMQTJDEPRQRT-VIFPVBQESA-N 1 1 187.283 1.527 50 0 ADAAMO CCC(CC)[N@H+]1CC[C@H](N)C1 37241693 343163744 /nfs/dbraw/zinc/16/37/44/343163744.db2.gz RZQCGPVZOABCIU-QMMMGPOBSA-N 1 1 156.273 1.208 50 0 ADAAMO CCC[NH+](CCC)[C@H]1CCCNC1 37246871 343164297 /nfs/dbraw/zinc/16/42/97/343164297.db2.gz ZPJMUXVGKPAFGO-NSHDSACASA-N 1 1 184.327 1.860 50 0 ADAAMO CCC[NH+](CCC)[C@@H]1CCCNC1 37246869 343164379 /nfs/dbraw/zinc/16/43/79/343164379.db2.gz ZPJMUXVGKPAFGO-LLVKDONJSA-N 1 1 184.327 1.860 50 0 ADAAMO C[NH+](C)Cc1nc2cc(N)ccc2[nH]1 37272771 343165531 /nfs/dbraw/zinc/16/55/31/343165531.db2.gz MPBIOJIYQNKPFH-UHFFFAOYSA-N 1 1 190.250 1.207 50 0 ADAAMO CCC(CC)([NH2+]C(C)C)C(=O)OC 37445840 343168169 /nfs/dbraw/zinc/16/81/69/343168169.db2.gz PZBFGJODLOENMQ-UHFFFAOYSA-N 1 1 187.283 1.716 50 0 biogenic ADAAMO CC[C@@]([NH3+])(C(=O)OC)c1ccccc1 37459692 343168731 /nfs/dbraw/zinc/16/87/31/343168731.db2.gz URYMDIRNRNJHAM-NSHDSACASA-N 1 1 193.246 1.424 50 0 biogenic,in-vitro ADAAMO CCC[NH2+][C@@H](CC)C(=O)OCC 37459327 343168858 /nfs/dbraw/zinc/16/88/58/343168858.db2.gz XOKVXRFFHLNRER-QMMMGPOBSA-N 1 1 173.256 1.328 50 0 in-vitro ADAAMO CC[C@]([NH3+])(C(=O)OC)c1ccccc1 37459691 343168878 /nfs/dbraw/zinc/16/88/78/343168878.db2.gz URYMDIRNRNJHAM-LLVKDONJSA-N 1 1 193.246 1.424 50 0 biogenic,in-vitro ADAAMO CCC[NH2+]C1(C(=O)OC)CCCC1 37459205 343168910 /nfs/dbraw/zinc/16/89/10/343168910.db2.gz ATXQSJUOGFBDHY-UHFFFAOYSA-N 1 1 185.267 1.472 50 0 ADAAMO CCC[NH2+][C@H](CC)C(=O)OCC 37459328 343168941 /nfs/dbraw/zinc/16/89/41/343168941.db2.gz XOKVXRFFHLNRER-MRVPVSSYSA-N 1 1 173.256 1.328 50 0 in-vitro ADAAMO CCC(C)(C)N1CC[NH2+]CC1 37483267 343171496 /nfs/dbraw/zinc/17/14/96/343171496.db2.gz YNTQDSJCTVCNPU-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO CCCC[C@H]([NH3+])C(=O)OC(C)(C)C 37729933 343176684 /nfs/dbraw/zinc/17/66/84/343176684.db2.gz CZROWHOGJRLBIE-QMMMGPOBSA-N 1 1 187.283 1.846 50 0 in-vitro ADAAMO CCCC[C@@H]([NH3+])C(=O)OC(C)(C)C 37729934 343176690 /nfs/dbraw/zinc/17/66/90/343176690.db2.gz CZROWHOGJRLBIE-MRVPVSSYSA-N 1 1 187.283 1.846 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1nc(C2CCCC2)no1 37756548 343177992 /nfs/dbraw/zinc/17/79/92/343177992.db2.gz VGIMDPSRUOEZRT-LURJTMIESA-N 1 1 181.239 1.747 50 0 in-vitro ADAAMO C[C@H](CO)Nc1[nH]c2ccccc2[nH+]1 37756948 343178027 /nfs/dbraw/zinc/17/80/27/343178027.db2.gz NWPXPADGNDEEJL-SSDOTTSWSA-N 1 1 191.234 1.356 50 0 in-vitro ADAAMO C[C@H]1CCC[N@@H+]1C1CCNCC1 37911099 343180460 /nfs/dbraw/zinc/18/04/60/343180460.db2.gz WYSNSNBDMIDQDR-VIFPVBQESA-N 1 1 168.284 1.223 50 0 ADAAMO C[C@H]1CCC[N@H+]1C1CCNCC1 37911099 343180462 /nfs/dbraw/zinc/18/04/62/343180462.db2.gz WYSNSNBDMIDQDR-VIFPVBQESA-N 1 1 168.284 1.223 50 0 ADAAMO CCC(=[NH2+])OC 37927962 343182025 /nfs/dbraw/zinc/18/20/25/343182025.db2.gz PNVXTVKZTGTFIL-UHFFFAOYSA-N 1 1 87.122 1.020 50 0 ADAAMO CC[C@@](C)([NH2+]CC1CC1)C(=O)OC 37967595 343182488 /nfs/dbraw/zinc/18/24/88/343182488.db2.gz BCNQQQBRYGYLEH-SNVBAGLBSA-N 1 1 185.267 1.328 50 0 ADAAMO CC[C@](C)([NH2+]CC1CC1)C(=O)OC 37967594 343182542 /nfs/dbraw/zinc/18/25/42/343182542.db2.gz BCNQQQBRYGYLEH-JTQLQIEISA-N 1 1 185.267 1.328 50 0 ADAAMO Cc1cc(C)c2c([nH+]1)NCCC2=O 38338604 343187263 /nfs/dbraw/zinc/18/72/63/343187263.db2.gz XIVNXTBHSVOLAY-UHFFFAOYSA-N 1 1 176.219 1.697 50 0 ADAAMO C[N@@H+]1CCc2ncsc2C1 38342571 343187328 /nfs/dbraw/zinc/18/73/28/343187328.db2.gz JSYKQYFGEPJWQB-UHFFFAOYSA-N 1 1 154.238 1.131 50 0 ADAAMO C[N@H+]1CCc2ncsc2C1 38342571 343187330 /nfs/dbraw/zinc/18/73/30/343187330.db2.gz JSYKQYFGEPJWQB-UHFFFAOYSA-N 1 1 154.238 1.131 50 0 ADAAMO C[C@H]1CCC[N@H+]([C@@H](C)CN)C1 38340206 343187421 /nfs/dbraw/zinc/18/74/21/343187421.db2.gz UZMIFBCNBIXTAN-IUCAKERBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]1CCCN([C@@H](C)C[NH3+])C1 38340206 343187423 /nfs/dbraw/zinc/18/74/23/343187423.db2.gz UZMIFBCNBIXTAN-IUCAKERBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[N@@H+](CCN)C1CCCCC1 38340220 343187462 /nfs/dbraw/zinc/18/74/62/343187462.db2.gz FNZNHTIBNDAHFH-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CN(CC[NH3+])C1CCCCC1 38340220 343187465 /nfs/dbraw/zinc/18/74/65/343187465.db2.gz FNZNHTIBNDAHFH-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 38526292 343188914 /nfs/dbraw/zinc/18/89/14/343188914.db2.gz SSWHTEXLCLEUBQ-LBPRGKRZSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1 38545445 343189226 /nfs/dbraw/zinc/18/92/26/343189226.db2.gz GBEIREVJIUGSDR-GXSJLCMTSA-N 1 1 176.263 1.309 50 0 ADAAMO Cc1nc2c(s1)C[NH2+]C2 38540392 343189258 /nfs/dbraw/zinc/18/92/58/343189258.db2.gz DQNDJDKFUJDVQW-UHFFFAOYSA-N 1 1 140.211 1.055 50 0 in-vitro ADAAMO C[C@H]1C[NH2+][C@H](c2ccccc2)CN1 38545443 343189462 /nfs/dbraw/zinc/18/94/62/343189462.db2.gz GBEIREVJIUGSDR-ONGXEEELSA-N 1 1 176.263 1.309 50 0 ADAAMO Cc1ccc(C[NH2+]CCN)cc1 38595036 343189670 /nfs/dbraw/zinc/18/96/70/343189670.db2.gz FAMIROKBNMLFLB-UHFFFAOYSA-N 1 1 164.252 1.043 50 0 in-vitro ADAAMO CC1CCN([C@H](C)C[NH3+])CC1 38785095 343190473 /nfs/dbraw/zinc/19/04/73/343190473.db2.gz QTSXXNDKPSOUPU-SECBINFHSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO Cc1c[nH]c(C(C)C)[nH+]1 38886271 343191912 /nfs/dbraw/zinc/19/19/12/343191912.db2.gz VGUCJSBVDMSYSU-UHFFFAOYSA-N 1 1 124.187 1.842 50 0 in-vitro ADAAMO CC(C)[N@H+](CCN)Cc1ccccc1 38916556 343192373 /nfs/dbraw/zinc/19/23/73/343192373.db2.gz JHXBPQUKAFQZCE-UHFFFAOYSA-N 1 1 192.306 1.856 50 0 ADAAMO CC(C)[N@@H+](CCN)Cc1ccccc1 38916556 343192375 /nfs/dbraw/zinc/19/23/75/343192375.db2.gz JHXBPQUKAFQZCE-UHFFFAOYSA-N 1 1 192.306 1.856 50 0 ADAAMO Cc1cccc(N(C)C)[nH+]1 39050913 343193585 /nfs/dbraw/zinc/19/35/85/343193585.db2.gz LWDJPFRKGZMBGC-UHFFFAOYSA-N 1 1 136.198 1.456 50 0 ADAAMO CC(C)c1ccc(N)[nH+]c1 39050142 343193589 /nfs/dbraw/zinc/19/35/89/343193589.db2.gz GXSWKKZGLOYAPE-UHFFFAOYSA-N 1 1 136.198 1.787 50 0 in-vitro ADAAMO CCc1cccc(NC)[nH+]1 39054458 343194776 /nfs/dbraw/zinc/19/47/76/343194776.db2.gz KDFNZGJPRXHVKR-UHFFFAOYSA-N 1 1 136.198 1.686 50 0 ADAAMO CCCCN(C)C[C@H](C)[NH3+] 39067645 343195897 /nfs/dbraw/zinc/19/58/97/343195897.db2.gz KKYAVQDTPDXVOL-QMMMGPOBSA-N 1 1 144.262 1.066 50 0 in-vitro ADAAMO CCCC[N@H+](C)C[C@H](C)N 39067645 343195898 /nfs/dbraw/zinc/19/58/98/343195898.db2.gz KKYAVQDTPDXVOL-QMMMGPOBSA-N 1 1 144.262 1.066 50 0 in-vitro ADAAMO CCCC[N@@H+](C)C[C@H](C)N 39067645 343195900 /nfs/dbraw/zinc/19/59/00/343195900.db2.gz KKYAVQDTPDXVOL-QMMMGPOBSA-N 1 1 144.262 1.066 50 0 in-vitro ADAAMO Cc1ccc([C@@H]2CNCC[NH2+]2)cc1C 39115427 343201285 /nfs/dbraw/zinc/20/12/85/343201285.db2.gz DEVCAUSAFYFVHN-LBPRGKRZSA-N 1 1 190.290 1.537 50 0 ADAAMO Cc1c[nH+]cc(F)c1N 39116678 343201984 /nfs/dbraw/zinc/20/19/84/343201984.db2.gz OUGVZDCOIWTZBH-UHFFFAOYSA-N 1 1 126.134 1.111 50 0 ADAAMO CC[C@@H]1CCCC[N@H+]1CCN 39134159 343203207 /nfs/dbraw/zinc/20/32/07/343203207.db2.gz AKORAGHXVCPPSO-SECBINFHSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC[C@@H]1CCCCN1CC[NH3+] 39134159 343203208 /nfs/dbraw/zinc/20/32/08/343203208.db2.gz AKORAGHXVCPPSO-SECBINFHSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC[C@H]1CCCC[N@H+]1CCN 39134161 343203450 /nfs/dbraw/zinc/20/34/50/343203450.db2.gz AKORAGHXVCPPSO-VIFPVBQESA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC[C@H]1CCCCN1CC[NH3+] 39134161 343203451 /nfs/dbraw/zinc/20/34/51/343203451.db2.gz AKORAGHXVCPPSO-VIFPVBQESA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@H]([NH3+])CN1CCCCCC1 39170054 343205294 /nfs/dbraw/zinc/20/52/94/343205294.db2.gz OBBYUKKVCZUXOY-VIFPVBQESA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 39203212 343205735 /nfs/dbraw/zinc/20/57/35/343205735.db2.gz IZIHKVIKLYFELH-NSHDSACASA-N 1 1 191.274 1.907 50 0 ADAAMO Cc1cccc([C@H]2CNCC[NH2+]2)c1 39363562 343211052 /nfs/dbraw/zinc/21/10/52/343211052.db2.gz HGRYPWVHQPPINF-LLVKDONJSA-N 1 1 176.263 1.229 50 0 ADAAMO Cc1cccc([C@@H]2CNCC[NH2+]2)c1 39363561 343211120 /nfs/dbraw/zinc/21/11/20/343211120.db2.gz HGRYPWVHQPPINF-NSHDSACASA-N 1 1 176.263 1.229 50 0 ADAAMO CC(C)c1[nH+]ccn1C 39387124 343211620 /nfs/dbraw/zinc/21/16/20/343211620.db2.gz IOILKZYWNMYWJY-UHFFFAOYSA-N 1 1 124.187 1.544 50 0 in-vitro ADAAMO CCc1ccc([C@H]2CNCC[NH2+]2)cc1 39934041 343213938 /nfs/dbraw/zinc/21/39/38/343213938.db2.gz XXPMLIBLWBCOEI-GFCCVEGCSA-N 1 1 190.290 1.483 50 0 in-vitro ADAAMO CC[C@H](C)NCC[NH2+]C(C)C 39712265 343214007 /nfs/dbraw/zinc/21/40/07/343214007.db2.gz VELKVXYYFGKWRG-VIFPVBQESA-N 1 1 158.289 1.373 50 0 ADAAMO CC(C)[C@H]1C[N@H+]2CCC[C@H]2CN1 39957298 343214331 /nfs/dbraw/zinc/21/43/31/343214331.db2.gz YPMDREPFLIKFTB-VHSXEESVSA-N 1 1 168.284 1.079 50 0 ADAAMO C[C@H](c1cccs1)[N@H+](C)CC(N)=O 40013675 343214937 /nfs/dbraw/zinc/21/49/37/343214937.db2.gz QNEQJUHCEGTBCS-SSDOTTSWSA-N 1 1 198.291 1.226 50 0 ADAAMO C[C@H](c1cccs1)[N@@H+](C)CC(N)=O 40013675 343214940 /nfs/dbraw/zinc/21/49/40/343214940.db2.gz QNEQJUHCEGTBCS-SSDOTTSWSA-N 1 1 198.291 1.226 50 0 ADAAMO C[C@H]1CCCC[N@H+]1CC(C)(C)N 39958223 343214999 /nfs/dbraw/zinc/21/49/99/343214999.db2.gz FRAJFMOTJCQVOA-VIFPVBQESA-N 1 1 170.300 1.598 50 0 in-vitro ADAAMO C[C@H]1CCCCN1CC(C)(C)[NH3+] 39958223 343215000 /nfs/dbraw/zinc/21/50/00/343215000.db2.gz FRAJFMOTJCQVOA-VIFPVBQESA-N 1 1 170.300 1.598 50 0 in-vitro ADAAMO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C)C2)C(=O)O1 40023627 343215031 /nfs/dbraw/zinc/21/50/31/343215031.db2.gz QJXFTROFYOAUJY-KXUCPTDWSA-N 1 1 197.278 1.422 50 0 ADAAMO C[C@H](c1ccccc1)[C@@H](N)C[NH3+] 40240815 343216111 /nfs/dbraw/zinc/21/61/11/343216111.db2.gz FXLVGPWSHAUWFU-SCZZXKLOSA-N 1 1 164.252 1.076 50 0 ADAAMO C[C@H](c1ccccc1)[C@H](N)C[NH3+] 40240813 343216169 /nfs/dbraw/zinc/21/61/69/343216169.db2.gz FXLVGPWSHAUWFU-PSASIEDQSA-N 1 1 164.252 1.076 50 0 ADAAMO C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 40448032 343218382 /nfs/dbraw/zinc/21/83/82/343218382.db2.gz VORMBALJARSMHR-MRVPVSSYSA-N 1 1 185.267 1.280 50 0 in-vitro ADAAMO C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 40448033 343218453 /nfs/dbraw/zinc/21/84/53/343218453.db2.gz VORMBALJARSMHR-QMMMGPOBSA-N 1 1 185.267 1.280 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1cccc(F)n1 40712309 343221250 /nfs/dbraw/zinc/22/12/50/343221250.db2.gz GWDIKOHUALQRIM-UHFFFAOYSA-N 1 1 177.182 1.715 50 0 in-vitro ADAAMO CCC[N@@H+](C)CC(C)(C)[NH3+] 40925883 343224309 /nfs/dbraw/zinc/22/43/09/343224309.db2.gz YLYHTRLVFIIUBI-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CCCN(C)CC(C)(C)[NH3+] 40925883 343224311 /nfs/dbraw/zinc/22/43/11/343224311.db2.gz YLYHTRLVFIIUBI-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CCC[N@H+](C)CC(C)(C)N 40925883 343224314 /nfs/dbraw/zinc/22/43/14/343224314.db2.gz YLYHTRLVFIIUBI-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CCC[N@@H+](C)CC(C)(C)N 40925883 343224316 /nfs/dbraw/zinc/22/43/16/343224316.db2.gz YLYHTRLVFIIUBI-UHFFFAOYSA-N 1 1 144.262 1.066 50 0 ADAAMO CC[C@H](C)[N@H+]1CCNC[C@@H]1C 41167319 343230657 /nfs/dbraw/zinc/23/06/57/343230657.db2.gz LFQMHTLYWHHVFZ-IUCAKERBSA-N 1 1 156.273 1.079 50 0 ADAAMO CC[C@H](C)N1CC[NH2+]C[C@@H]1C 41167319 343230658 /nfs/dbraw/zinc/23/06/58/343230658.db2.gz LFQMHTLYWHHVFZ-IUCAKERBSA-N 1 1 156.273 1.079 50 0 ADAAMO C[C@H]1CNCC[N@H+]1C1CCCC1 41168206 343231030 /nfs/dbraw/zinc/23/10/30/343231030.db2.gz ASZIXIGBMYHICX-VIFPVBQESA-N 1 1 168.284 1.223 50 0 ADAAMO C[C@H]1C[NH2+]CCN1C1CCCC1 41168206 343231033 /nfs/dbraw/zinc/23/10/33/343231033.db2.gz ASZIXIGBMYHICX-VIFPVBQESA-N 1 1 168.284 1.223 50 0 ADAAMO Cc1cc(C2CC[NH2+]CC2)n[nH]1 41167994 343231044 /nfs/dbraw/zinc/23/10/44/343231044.db2.gz SYXPRJXSVOCVHX-UHFFFAOYSA-N 1 1 165.240 1.185 50 0 ADAAMO CCc1cccc2c1NC(=O)[C@@H]2[NH3+] 42062845 343237342 /nfs/dbraw/zinc/23/73/42/343237342.db2.gz MDJNXXSBKACNFQ-MRVPVSSYSA-N 1 1 176.219 1.201 50 0 ADAAMO CC(C)c1ccc2c(c1)[C@H]([NH3+])C(=O)N2 42062999 343237350 /nfs/dbraw/zinc/23/73/50/343237350.db2.gz VDZMKTOVXQCCOL-JTQLQIEISA-N 1 1 190.246 1.762 50 0 in-vitro ADAAMO CCc1ccc2c(c1)[C@H]([NH3+])C(=O)N2 42062782 343237388 /nfs/dbraw/zinc/23/73/88/343237388.db2.gz ZJZASJONSHRXQE-VIFPVBQESA-N 1 1 176.219 1.201 50 0 in-vitro ADAAMO C[C@H](N)[C@H](c1ccccc1)[NH+](C)C 42900859 343249993 /nfs/dbraw/zinc/24/99/93/343249993.db2.gz LMTBPLOIFJDYEV-GXSJLCMTSA-N 1 1 178.279 1.637 50 0 in-vitro ADAAMO CCC(C)(C)[NH2+][C@@H](C)C(=O)OC 43625921 343256923 /nfs/dbraw/zinc/25/69/23/343256923.db2.gz MHZJHULSAARRNF-ZETCQYMHSA-N 1 1 173.256 1.326 50 0 ADAAMO Cc1cc(N)nc(C2CC2)[nH+]1 44119416 343260494 /nfs/dbraw/zinc/26/04/94/343260494.db2.gz PYDUXMHSXQGCQQ-UHFFFAOYSA-N 1 1 149.197 1.245 50 0 ADAAMO Cc1nc2cc(C[NH3+])ccc2[nH]1 45238558 343272095 /nfs/dbraw/zinc/27/20/95/343272095.db2.gz XFMATJBLGFMLBT-UHFFFAOYSA-N 1 1 161.208 1.330 50 0 in-vitro ADAAMO C[C@H]([NH3+])c1ccc2[nH]cnc2c1 45820835 343272348 /nfs/dbraw/zinc/27/23/48/343272348.db2.gz DBAJKAVSAXBACO-LURJTMIESA-N 1 1 161.208 1.583 50 0 ADAAMO Cc1nnc(C[NH+]2CCC(C)CC2)o1 48343584 343274274 /nfs/dbraw/zinc/27/42/74/343274274.db2.gz ZAEYMQLZROSZFS-UHFFFAOYSA-N 1 1 195.266 1.610 50 0 ADAAMO Cc1nnc([C@H]([NH3+])c2ccccc2)[nH]1 48630532 343274916 /nfs/dbraw/zinc/27/49/16/343274916.db2.gz QZLDMIKJDRTBCH-SECBINFHSA-N 1 1 188.234 1.161 50 0 in-vitro ADAAMO C[C@H]([NH3+])C(=O)OC1CCCCC1 48632113 343275125 /nfs/dbraw/zinc/27/51/25/343275125.db2.gz BYAGYQXRLBVKTP-ZETCQYMHSA-N 1 1 171.240 1.210 50 0 ADAAMO Cc1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 48630533 343275224 /nfs/dbraw/zinc/27/52/24/343275224.db2.gz QZLDMIKJDRTBCH-VIFPVBQESA-N 1 1 188.234 1.161 50 0 in-vitro ADAAMO Cc1ccc(-c2nnc(C[NH3+])o2)s1 49582261 343276145 /nfs/dbraw/zinc/27/61/45/343276145.db2.gz CBIFZXYCIIEHBM-UHFFFAOYSA-N 1 1 195.247 1.565 50 0 ADAAMO CC(C)c1ccc(OC(=O)C[NH3+])cc1 49807134 343276891 /nfs/dbraw/zinc/27/68/91/343276891.db2.gz LYQFJKIPKWPADZ-UHFFFAOYSA-N 1 1 193.246 1.674 50 0 ADAAMO CCc1cccc(OC(=O)C[NH3+])c1 49805526 343276940 /nfs/dbraw/zinc/27/69/40/343276940.db2.gz XLQZUDVLASDQNI-UHFFFAOYSA-N 1 1 179.219 1.113 50 0 ADAAMO C[N@@H+](CCO)CC1CCCC1 50104650 343278077 /nfs/dbraw/zinc/27/80/77/343278077.db2.gz QGXZTHCOIRZLRN-UHFFFAOYSA-N 1 1 157.257 1.101 50 0 ADAAMO CC[C@H](C)C(=[NH2+])OC 51690514 343291752 /nfs/dbraw/zinc/29/17/52/343291752.db2.gz PXBHHCIQWIFYSI-YFKPBYRVSA-N 1 1 115.176 1.656 50 0 ADAAMO C[C@H]1C[NH2+]CCN(C2CCC2)C1 52213797 343302301 /nfs/dbraw/zinc/30/23/01/343302301.db2.gz NWDAHVJVGDJIDT-VIFPVBQESA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO Cc1ccc2c(c1)C(=O)[C@@H]([NH3+])CS2 52534200 343306018 /nfs/dbraw/zinc/30/60/18/343306018.db2.gz LJTIESBIHMPORZ-QMMMGPOBSA-N 1 1 193.271 1.611 50 0 ADAAMO Cc1ccc2c(c1)C(=O)[C@H]([NH3+])CS2 52534198 343306235 /nfs/dbraw/zinc/30/62/35/343306235.db2.gz LJTIESBIHMPORZ-MRVPVSSYSA-N 1 1 193.271 1.611 50 0 ADAAMO CC(C)c1nnc2n1CC[NH2+][C@H]2C 53710737 343315138 /nfs/dbraw/zinc/31/51/38/343315138.db2.gz PQTBEXHIKUVLSH-ZETCQYMHSA-N 1 1 180.255 1.066 50 0 in-vitro ADAAMO C[NH2+]CCCN[C@H](C)c1ccccc1 54954762 343332344 /nfs/dbraw/zinc/33/23/44/343332344.db2.gz DHBKWWXNNZRTKC-LLVKDONJSA-N 1 1 192.306 1.947 50 0 ADAAMO C[N@H+]1CCc2ncnc(Cl)c2C1 57217679 343336261 /nfs/dbraw/zinc/33/62/61/343336261.db2.gz DCIOCKZOSWIGRR-UHFFFAOYSA-N 1 1 183.642 1.118 50 0 in-vitro ADAAMO Cc1ccnc(NC[C@@H]2CC[NH2+]C2)c1 57217714 343336375 /nfs/dbraw/zinc/33/63/75/343336375.db2.gz QVZYAVHAGLGAID-SNVBAGLBSA-N 1 1 191.278 1.411 50 0 ADAAMO Cc1cccc(NC[C@H]2CC[NH2+]C2)n1 57217720 343336707 /nfs/dbraw/zinc/33/67/07/343336707.db2.gz GOGVDMSQODUATE-JTQLQIEISA-N 1 1 191.278 1.411 50 0 in-vitro ADAAMO Cc1cccc(NC[C@@H]2CC[NH2+]C2)n1 57217718 343336799 /nfs/dbraw/zinc/33/67/99/343336799.db2.gz GOGVDMSQODUATE-SNVBAGLBSA-N 1 1 191.278 1.411 50 0 in-vitro ADAAMO C[NH2+]CCCNCc1ccc(F)cc1 57362429 343337099 /nfs/dbraw/zinc/33/70/99/343337099.db2.gz QDKQHTDTAQQNBK-UHFFFAOYSA-N 1 1 196.269 1.525 50 0 ADAAMO Cc1noc(C[N@H+]2CCCC[C@H]2C)n1 58193453 343338852 /nfs/dbraw/zinc/33/88/52/343338852.db2.gz IAIDHFTWQKQELQ-MRVPVSSYSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1noc(C[N@@H+]2CCCC[C@H]2C)n1 58193453 343338855 /nfs/dbraw/zinc/33/88/55/343338855.db2.gz IAIDHFTWQKQELQ-MRVPVSSYSA-N 1 1 195.266 1.752 50 0 ADAAMO CNC(=O)C[N@@H+](C)C1CCCCCC1 58203492 343339005 /nfs/dbraw/zinc/33/90/05/343339005.db2.gz PUSPCRKLLFPKEY-UHFFFAOYSA-N 1 1 198.310 1.387 50 0 ADAAMO C[C@H]1COCC[N@H+]1Cc1ccccc1 58210012 343339163 /nfs/dbraw/zinc/33/91/63/343339163.db2.gz GXNBKAFYCHTQPI-NSHDSACASA-N 1 1 191.274 1.907 50 0 ADAAMO Cc1noc(C[N@@H+](C)[C@H](C)C2CC2)n1 58345032 343339415 /nfs/dbraw/zinc/33/94/15/343339415.db2.gz BIRJCNIVBGOJHK-SSDOTTSWSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1noc(C[N@H+](C)[C@H](C)C2CC2)n1 58345032 343339416 /nfs/dbraw/zinc/33/94/16/343339416.db2.gz BIRJCNIVBGOJHK-SSDOTTSWSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1noc(C[N@@H+](C)C2CCCC2)n1 58283226 343339487 /nfs/dbraw/zinc/33/94/87/343339487.db2.gz BHWUUMPRIPRIQJ-UHFFFAOYSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1noc(C[N@H+](C)C2CCCC2)n1 58283226 343339488 /nfs/dbraw/zinc/33/94/88/343339488.db2.gz BHWUUMPRIPRIQJ-UHFFFAOYSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1noc(C[N@@H+](C)[C@@H](C)C2CC2)n1 58345029 343339615 /nfs/dbraw/zinc/33/96/15/343339615.db2.gz BIRJCNIVBGOJHK-ZETCQYMHSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1noc(C[N@H+](C)[C@@H](C)C2CC2)n1 58345029 343339617 /nfs/dbraw/zinc/33/96/17/343339617.db2.gz BIRJCNIVBGOJHK-ZETCQYMHSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1cc(C(=O)C[NH3+])ccc1F 58327310 343339721 /nfs/dbraw/zinc/33/97/21/343339721.db2.gz FFAJLWWHENOHSQ-UHFFFAOYSA-N 1 1 167.183 1.276 50 0 in-vitro ADAAMO CC(C)c1nnc(C[NH3+])s1 58517762 343340171 /nfs/dbraw/zinc/34/01/71/343340171.db2.gz ZUFYJWWGQTVKAJ-UHFFFAOYSA-N 1 1 157.242 1.120 50 0 in-vitro ADAAMO Cc1c[nH+]c(C)c(N)c1 59485324 343345064 /nfs/dbraw/zinc/34/50/64/343345064.db2.gz OQLYLAOKFUUBBI-UHFFFAOYSA-N 1 1 122.171 1.281 50 0 ADAAMO CNC(C)(C)C[NH+]1CCCCCC1 61319431 343356085 /nfs/dbraw/zinc/35/60/85/343356085.db2.gz VRKKOEKYAORJII-UHFFFAOYSA-N 1 1 184.327 1.860 50 0 in-vitro ADAAMO C[C@H](C(N)=O)[N@@H+](C)CC1CCCCC1 61868476 343366186 /nfs/dbraw/zinc/36/61/86/343366186.db2.gz GXOCJACVCNPLGK-SECBINFHSA-N 1 1 198.310 1.372 50 0 ADAAMO CCC(CC)COC(=O)[C@H](C)[NH3+] 62498348 343374387 /nfs/dbraw/zinc/37/43/87/343374387.db2.gz BBDQDTSBXDTVIF-ZETCQYMHSA-N 1 1 173.256 1.313 50 0 ADAAMO C[N@@H+]1CCCN[C@H](c2ccccc2)C1 62567529 343376060 /nfs/dbraw/zinc/37/60/60/343376060.db2.gz WXGAOXOYHDIOCF-LBPRGKRZSA-N 1 1 190.290 1.653 50 0 ADAAMO C[N@H+]1CCCN[C@H](c2ccccc2)C1 62567529 343376062 /nfs/dbraw/zinc/37/60/62/343376062.db2.gz WXGAOXOYHDIOCF-LBPRGKRZSA-N 1 1 190.290 1.653 50 0 ADAAMO C[N@@H+]1CCCN[C@@H](c2ccccc2)C1 62567530 343376549 /nfs/dbraw/zinc/37/65/49/343376549.db2.gz WXGAOXOYHDIOCF-GFCCVEGCSA-N 1 1 190.290 1.653 50 0 ADAAMO C[N@H+]1CCCN[C@@H](c2ccccc2)C1 62567530 343376551 /nfs/dbraw/zinc/37/65/51/343376551.db2.gz WXGAOXOYHDIOCF-GFCCVEGCSA-N 1 1 190.290 1.653 50 0 ADAAMO Cc1nnc(C[N@H+]2CCC[C@H](C)C2)o1 62639403 343376671 /nfs/dbraw/zinc/37/66/71/343376671.db2.gz LGVUUSIKLGGINT-QMMMGPOBSA-N 1 1 195.266 1.610 50 0 ADAAMO c1c(C2CCCC2)nc2n1CC[NH2+]C2 62605664 343376735 /nfs/dbraw/zinc/37/67/35/343376735.db2.gz HVHXNKACDVBMMW-UHFFFAOYSA-N 1 1 191.278 1.644 50 0 ADAAMO Cc1nnc(C[N@@H+]2CCC[C@@H](C)C2)o1 62639404 343376747 /nfs/dbraw/zinc/37/67/47/343376747.db2.gz LGVUUSIKLGGINT-MRVPVSSYSA-N 1 1 195.266 1.610 50 0 ADAAMO Cc1ccc2c(c1)C(=O)[C@H]([NH3+])CCO2 62613535 343376814 /nfs/dbraw/zinc/37/68/14/343376814.db2.gz HAFIWJIJFKHWNM-SECBINFHSA-N 1 1 191.230 1.288 50 0 ADAAMO CC[C@H](C)c1cn2c(n1)C[NH2+]CC2 62605476 343376884 /nfs/dbraw/zinc/37/68/84/343376884.db2.gz GWRBFKVBWGHZAB-QMMMGPOBSA-N 1 1 179.267 1.500 50 0 ADAAMO Cc1ccc2c(c1)C(=O)[C@@H]([NH3+])CCO2 62613539 343376915 /nfs/dbraw/zinc/37/69/15/343376915.db2.gz HAFIWJIJFKHWNM-VIFPVBQESA-N 1 1 191.230 1.288 50 0 ADAAMO C1CCc2nc3n(c2CC1)CC[NH2+]C3 62605466 343376999 /nfs/dbraw/zinc/37/69/99/343376999.db2.gz PZGUWSYYAYWJTA-UHFFFAOYSA-N 1 1 191.278 1.255 50 0 ADAAMO Cc1cccc2c1OCC[C@@H]([NH3+])C2=O 62613532 343377059 /nfs/dbraw/zinc/37/70/59/343377059.db2.gz GMOGKOBGVYVLOW-SECBINFHSA-N 1 1 191.230 1.288 50 0 ADAAMO Cc1cccc2c1OCC[C@H]([NH3+])C2=O 62613530 343377087 /nfs/dbraw/zinc/37/70/87/343377087.db2.gz GMOGKOBGVYVLOW-VIFPVBQESA-N 1 1 191.230 1.288 50 0 ADAAMO Cc1ccc2[nH+]c(N)[nH]c2c1 63060535 343399150 /nfs/dbraw/zinc/39/91/50/343399150.db2.gz MZZZAWDOYQWKMR-UHFFFAOYSA-N 1 1 147.181 1.454 50 0 in-vitro ADAAMO Cc1cc(C)c(C(=O)C[NH3+])cc1C 64269976 343407103 /nfs/dbraw/zinc/40/71/03/343407103.db2.gz BUZKAQKDWYTOGO-UHFFFAOYSA-N 1 1 177.247 1.753 50 0 in-vitro ADAAMO Cc1cnn(-c2ccc(N)[nH+]c2C)c1 65409610 343408432 /nfs/dbraw/zinc/40/84/32/343408432.db2.gz AXIYHWFRDFAMKW-UHFFFAOYSA-N 1 1 188.234 1.466 50 0 ADAAMO C[N@@H+](CC(=O)NC1CC1)C1CCCC1 65606401 343408471 /nfs/dbraw/zinc/40/84/71/343408471.db2.gz DHCFJOJHAVUACR-UHFFFAOYSA-N 1 1 196.294 1.139 50 0 ADAAMO Cc1nnc(CC[NH+]2CCCCC2)[nH]1 65385577 343408550 /nfs/dbraw/zinc/40/85/50/343408550.db2.gz YXOVOUYATIAWKD-UHFFFAOYSA-N 1 1 194.282 1.142 50 0 ADAAMO Cc1nc(CC[NH+]2CCCCC2)n[nH]1 65385577 343408552 /nfs/dbraw/zinc/40/85/52/343408552.db2.gz YXOVOUYATIAWKD-UHFFFAOYSA-N 1 1 194.282 1.142 50 0 ADAAMO C[NH2+]CCCN[C@@H](C)c1ccccc1 66057032 343409086 /nfs/dbraw/zinc/40/90/86/343409086.db2.gz DHBKWWXNNZRTKC-NSHDSACASA-N 1 1 192.306 1.947 50 0 ADAAMO Cc1ccc2c([nH+]1)NCCO2 66354565 343410152 /nfs/dbraw/zinc/41/01/52/343410152.db2.gz FFTDFJXFRVXAGD-UHFFFAOYSA-N 1 1 150.181 1.194 50 0 in-vitro ADAAMO CCc1cn[nH]c1[C@@H]1CCC[NH2+]C1 67642076 343410921 /nfs/dbraw/zinc/41/09/21/343410921.db2.gz KYLPWUWFELGMFW-SECBINFHSA-N 1 1 179.267 1.439 50 0 ADAAMO CCc1cn[nH]c1[C@H]1CCC[NH2+]C1 67642078 343410947 /nfs/dbraw/zinc/41/09/47/343410947.db2.gz KYLPWUWFELGMFW-VIFPVBQESA-N 1 1 179.267 1.439 50 0 ADAAMO CC(C)c1cnc(C[NH3+])o1 68593733 343412066 /nfs/dbraw/zinc/41/20/66/343412066.db2.gz PSQPSAHNRDTZON-UHFFFAOYSA-N 1 1 140.186 1.257 50 0 in-vitro ADAAMO C[N@@H+]1CCNC2(CCCCC2)C1 68693398 343412611 /nfs/dbraw/zinc/41/26/11/343412611.db2.gz IYJBTTDXFABNJG-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO C[N@H+]1CCNC2(CCCCC2)C1 68693398 343412615 /nfs/dbraw/zinc/41/26/15/343412615.db2.gz IYJBTTDXFABNJG-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 in-vitro ADAAMO Cc1[nH+]ccn1-c1cccc(C=O)c1 68983532 343419223 /nfs/dbraw/zinc/41/92/23/343419223.db2.gz HJVRCSNHACKXNE-UHFFFAOYSA-N 1 1 186.214 1.993 50 0 ADAAMO Cc1nnc(C[N@@H+](C)[C@@H](C)C2CC2)o1 69464809 343425081 /nfs/dbraw/zinc/42/50/81/343425081.db2.gz SIYPIJBGIHHSNZ-ZETCQYMHSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1nnc(C[N@H+](C)[C@@H](C)C2CC2)o1 69464809 343425085 /nfs/dbraw/zinc/42/50/85/343425085.db2.gz SIYPIJBGIHHSNZ-ZETCQYMHSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1nnc(C[N@@H+](C)[C@H](C)C2CC2)o1 69464813 343425231 /nfs/dbraw/zinc/42/52/31/343425231.db2.gz SIYPIJBGIHHSNZ-SSDOTTSWSA-N 1 1 195.266 1.608 50 0 ADAAMO Cc1nnc(C[N@H+](C)[C@H](C)C2CC2)o1 69464813 343425233 /nfs/dbraw/zinc/42/52/33/343425233.db2.gz SIYPIJBGIHHSNZ-SSDOTTSWSA-N 1 1 195.266 1.608 50 0 ADAAMO C[N@@H+]1CC[C@H](N)[C@@H]1c1ccccc1 69798869 343442827 /nfs/dbraw/zinc/44/28/27/343442827.db2.gz DLENRPOBIBOYGR-QWRGUYRKSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@H+]1CC[C@H](N)[C@@H]1c1ccccc1 69798869 343442830 /nfs/dbraw/zinc/44/28/30/343442830.db2.gz DLENRPOBIBOYGR-QWRGUYRKSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@@H+]1CC[C@@H](N)[C@@H]1c1ccccc1 69798871 343442894 /nfs/dbraw/zinc/44/28/94/343442894.db2.gz DLENRPOBIBOYGR-MNOVXSKESA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@H+]1CC[C@@H](N)[C@@H]1c1ccccc1 69798871 343442897 /nfs/dbraw/zinc/44/28/97/343442897.db2.gz DLENRPOBIBOYGR-MNOVXSKESA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO CC(C)(C)c1ccc[nH+]c1N 69841404 343444545 /nfs/dbraw/zinc/44/45/45/343444545.db2.gz ZVIHONOPAHXSGO-UHFFFAOYSA-N 1 1 150.225 1.961 50 0 ADAAMO Cc1[nH+]ccn1CC(C)C 70162755 343476115 /nfs/dbraw/zinc/47/61/15/343476115.db2.gz SVNWKKJQEFIURY-UHFFFAOYSA-N 1 1 138.214 1.848 50 0 ADAAMO CC1(C)CCC[N@H+](CCN)C1 70559414 343490139 /nfs/dbraw/zinc/49/01/39/343490139.db2.gz AEJMMXIKIPYVAY-UHFFFAOYSA-N 1 1 156.273 1.067 50 0 in-vitro ADAAMO CC1(C)CCC[N@@H+](CCN)C1 70559414 343490141 /nfs/dbraw/zinc/49/01/41/343490141.db2.gz AEJMMXIKIPYVAY-UHFFFAOYSA-N 1 1 156.273 1.067 50 0 in-vitro ADAAMO CC(C)[C@@H]1CCC[N@@H+](CCN)CC1 70612899 343502460 /nfs/dbraw/zinc/50/24/60/343502460.db2.gz BXJKWVMFUININC-LLVKDONJSA-N 1 1 184.327 1.703 50 0 ADAAMO CC(C)[C@@H]1CCCN(CC[NH3+])CC1 70612899 343502461 /nfs/dbraw/zinc/50/24/61/343502461.db2.gz BXJKWVMFUININC-LLVKDONJSA-N 1 1 184.327 1.703 50 0 ADAAMO CC(C)[C@H]1CCC[N@@H+](CCN)CC1 70612900 343502510 /nfs/dbraw/zinc/50/25/10/343502510.db2.gz BXJKWVMFUININC-NSHDSACASA-N 1 1 184.327 1.703 50 0 ADAAMO CC(C)[C@H]1CCCN(CC[NH3+])CC1 70612900 343502512 /nfs/dbraw/zinc/50/25/12/343502512.db2.gz BXJKWVMFUININC-NSHDSACASA-N 1 1 184.327 1.703 50 0 ADAAMO Cc1ccc(NCc2ncc[nH]2)[nH+]c1 70646541 343517587 /nfs/dbraw/zinc/51/75/87/343517587.db2.gz VKNRNDZYOYIHDZ-UHFFFAOYSA-N 1 1 188.234 1.725 50 0 ADAAMO Cc1[nH+]ccn1-c1ccc(O)cc1 70651364 343519401 /nfs/dbraw/zinc/51/94/01/343519401.db2.gz LJPLOQIJTWHHOM-UHFFFAOYSA-N 1 1 174.203 1.886 50 0 ADAAMO Cc1cc(N)c(F)c[nH+]1 71256063 343551515 /nfs/dbraw/zinc/55/15/15/343551515.db2.gz UQCCFTSJZJJSJI-UHFFFAOYSA-N 1 1 126.134 1.111 50 0 in-vitro ADAAMO C[N@H+]1CC[C@]2(O)CC=CC[C@@H]2C1 71774199 343557860 /nfs/dbraw/zinc/55/78/60/343557860.db2.gz WQCBUTKYOJXQGG-NXEZZACHSA-N 1 1 167.252 1.019 50 0 ADAAMO C[N@H+]1CC[C@@]2(O)CC=CC[C@@H]2C1 71774200 343558135 /nfs/dbraw/zinc/55/81/35/343558135.db2.gz WQCBUTKYOJXQGG-ZJUUUORDSA-N 1 1 167.252 1.019 50 0 ADAAMO C[C@H]1Cc2ccc[nH+]c2N1 72231248 343567168 /nfs/dbraw/zinc/56/71/68/343567168.db2.gz KZZRMJZSXZUPRA-LURJTMIESA-N 1 1 134.182 1.438 50 0 ADAAMO CC[C@H](C)[C@H]1C[N@H+]2CCC[C@@H]2CN1 72233259 343567293 /nfs/dbraw/zinc/56/72/93/343567293.db2.gz JMQDRGNCGUJLPY-HBNTYKKESA-N 1 1 182.311 1.469 50 0 ADAAMO CCCC[C@H]1C[N@H+]2CCC[C@H]2CN1 72233262 343567424 /nfs/dbraw/zinc/56/74/24/343567424.db2.gz FEWXJUHZVREJTN-QWRGUYRKSA-N 1 1 182.311 1.613 50 0 ADAAMO CC[C@H](C)[C@H]1C[N@H+]2CCC[C@H]2CN1 72233260 343567623 /nfs/dbraw/zinc/56/76/23/343567623.db2.gz JMQDRGNCGUJLPY-GARJFASQSA-N 1 1 182.311 1.469 50 0 ADAAMO CCCC[C@H]1C[N@H+]2CCC[C@@H]2CN1 72233261 343567637 /nfs/dbraw/zinc/56/76/37/343567637.db2.gz FEWXJUHZVREJTN-WDEREUQCSA-N 1 1 182.311 1.613 50 0 ADAAMO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1 72297742 343569173 /nfs/dbraw/zinc/56/91/73/343569173.db2.gz PLYRTYMUDUFVSL-VHSXEESVSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1 72297742 343569176 /nfs/dbraw/zinc/56/91/76/343569176.db2.gz PLYRTYMUDUFVSL-VHSXEESVSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1 72297741 343569323 /nfs/dbraw/zinc/56/93/23/343569323.db2.gz PLYRTYMUDUFVSL-NXEZZACHSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1 72297741 343569324 /nfs/dbraw/zinc/56/93/24/343569324.db2.gz PLYRTYMUDUFVSL-NXEZZACHSA-N 1 1 168.284 1.223 50 0 in-vitro ADAAMO C[N@@H+]1CCC[C@H]1c1nccnc1Cl 72343821 343569540 /nfs/dbraw/zinc/56/95/40/343569540.db2.gz WXAVKCTVNBNXFM-ZETCQYMHSA-N 1 1 197.669 1.897 50 0 ADAAMO C[N@H+]1CCC[C@H]1c1nccnc1Cl 72343821 343569544 /nfs/dbraw/zinc/56/95/44/343569544.db2.gz WXAVKCTVNBNXFM-ZETCQYMHSA-N 1 1 197.669 1.897 50 0 ADAAMO C[N@H+]1CCC[C@H]1c1cc[nH]n1 72381247 343569677 /nfs/dbraw/zinc/56/96/77/343569677.db2.gz ZOTIXLBLJLFKBN-QMMMGPOBSA-N 1 1 151.213 1.176 50 0 ADAAMO CC(C)[C@H]1C[N@H+]2CCC[C@@H]2CN1 74332670 343572089 /nfs/dbraw/zinc/57/20/89/343572089.db2.gz YPMDREPFLIKFTB-NXEZZACHSA-N 1 1 168.284 1.079 50 0 ADAAMO Cc1cc([C@@H]2CCC[NH2+]C2)n[nH]1 74941690 343574647 /nfs/dbraw/zinc/57/46/47/343574647.db2.gz ZLTWLBNAYZAKMI-MRVPVSSYSA-N 1 1 165.240 1.185 50 0 in-vitro ADAAMO Cc1cc([C@H]2CCC[NH2+]C2)n[nH]1 74941692 343575030 /nfs/dbraw/zinc/57/50/30/343575030.db2.gz ZLTWLBNAYZAKMI-QMMMGPOBSA-N 1 1 165.240 1.185 50 0 in-vitro ADAAMO C[C@H]1Nc2ccc[nH+]c2N[C@@H]1C 75156699 343575992 /nfs/dbraw/zinc/57/59/92/343575992.db2.gz SMZWRKUMQQSCCM-RNFRBKRXSA-N 1 1 163.224 1.696 50 0 ADAAMO Cc1[nH]cnc1C1CC[NH2+]CC1 76818255 343580129 /nfs/dbraw/zinc/58/01/29/343580129.db2.gz OAAFGNFILDPKMU-UHFFFAOYSA-N 1 1 165.240 1.185 50 0 ADAAMO CC(C)[C@@H]1C[N@H+]2CCC[C@@H]2CN1 77263105 343580791 /nfs/dbraw/zinc/58/07/91/343580791.db2.gz YPMDREPFLIKFTB-ZJUUUORDSA-N 1 1 168.284 1.079 50 0 ADAAMO CCC(=O)O[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 78549279 343583195 /nfs/dbraw/zinc/58/31/95/343583195.db2.gz KNMVFWWXROFBOR-LPEHRKFASA-N 1 1 199.294 1.668 50 0 ADAAMO CCC(=O)O[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 78549285 343583318 /nfs/dbraw/zinc/58/33/18/343583318.db2.gz KNMVFWWXROFBOR-IVZWLZJFSA-N 1 1 199.294 1.668 50 0 ADAAMO C[C@H]1CCC[N@@H+](CC2(O)CCC2)C1 79096561 343586396 /nfs/dbraw/zinc/58/63/96/343586396.db2.gz SQOKSWCHFTVDML-JTQLQIEISA-N 1 1 183.295 1.633 50 0 ADAAMO C[N@H+]1CC=C(Br)CC1 79035082 343586608 /nfs/dbraw/zinc/58/66/08/343586608.db2.gz AEVLYSTXKMCEGH-UHFFFAOYSA-N 1 1 176.057 1.601 50 0 ADAAMO C[N@@H+]1CC=C(Br)CC1 79035082 343586609 /nfs/dbraw/zinc/58/66/09/343586609.db2.gz AEVLYSTXKMCEGH-UHFFFAOYSA-N 1 1 176.057 1.601 50 0 ADAAMO Cc1c[nH+]c2cccc(C=O)n12 82405345 343602043 /nfs/dbraw/zinc/60/20/43/343602043.db2.gz OMLHXTNWZCCESQ-UHFFFAOYSA-N 1 1 160.176 1.455 50 0 ADAAMO Cc1[nH+]c2ccc(N)cc2n1C 82405041 343602073 /nfs/dbraw/zinc/60/20/73/343602073.db2.gz OAUGOBOEYPHXCK-UHFFFAOYSA-N 1 1 161.208 1.464 50 0 ADAAMO C[N@H+]1CCC(=O)[C@H]2CCC[C@@H]21 82407288 343602406 /nfs/dbraw/zinc/60/24/06/343602406.db2.gz YGEYYJFGMWCUNV-YUMQZZPRSA-N 1 1 153.225 1.060 50 0 in-vitro ADAAMO CC(C)Cn1c[nH+]c(N)c1 82410440 343603133 /nfs/dbraw/zinc/60/31/33/343603133.db2.gz VYBQFUYGAVPEDW-UHFFFAOYSA-N 1 1 139.202 1.121 50 0 ADAAMO CC(C)(C)CNc1cc(N)[nH+]cn1 82426685 343603677 /nfs/dbraw/zinc/60/36/77/343603677.db2.gz OBUZXKZXURFIJE-UHFFFAOYSA-N 1 1 180.255 1.517 50 0 ADAAMO CC(C)(C)CNc1cc(N)nc[nH+]1 82426685 343603679 /nfs/dbraw/zinc/60/36/79/343603679.db2.gz OBUZXKZXURFIJE-UHFFFAOYSA-N 1 1 180.255 1.517 50 0 ADAAMO CC(C)c1c(Cl)nc[nH+]c1NN 82565380 343606703 /nfs/dbraw/zinc/60/67/03/343606703.db2.gz YAMCFZKJQRCMMU-UHFFFAOYSA-N 1 1 186.646 1.539 50 0 in-vitro ADAAMO Cc1[nH+]c(N)ccc1-c1cnn(C)c1 82730138 343611261 /nfs/dbraw/zinc/61/12/61/343611261.db2.gz CVOLJIVFBCXFJZ-UHFFFAOYSA-N 1 1 188.234 1.373 50 0 ADAAMO C[N@H+]1CCc2cc(N)ccc2C1 82789874 343612402 /nfs/dbraw/zinc/61/24/02/343612402.db2.gz PWHRVVMNFQGSJQ-UHFFFAOYSA-N 1 1 162.236 1.257 50 0 ADAAMO Cc1[nH+]c2c(N)cccn2c1C 82850310 343613856 /nfs/dbraw/zinc/61/38/56/343613856.db2.gz RTUABNJRTRJMMS-UHFFFAOYSA-N 1 1 161.208 1.533 50 0 ADAAMO C[C@H]([NH3+])c1nc(C(F)(F)F)no1 82873167 343614587 /nfs/dbraw/zinc/61/45/87/343614587.db2.gz OLFUZLGSBDUCKG-REOHCLBHSA-N 1 1 181.117 1.108 50 0 ADAAMO CCc1nnc([C@@H]2CCCC[NH2+]2)o1 83274318 343618231 /nfs/dbraw/zinc/61/82/31/343618231.db2.gz DSVSJICLWLOTFI-ZETCQYMHSA-N 1 1 181.239 1.447 50 0 ADAAMO CCc1nnc([C@H]2CCCC[NH2+]2)o1 83274319 343618332 /nfs/dbraw/zinc/61/83/32/343618332.db2.gz DSVSJICLWLOTFI-SSDOTTSWSA-N 1 1 181.239 1.447 50 0 ADAAMO C[N@@H+](CCc1cccc(N)c1)C1CC1 83739465 343623779 /nfs/dbraw/zinc/62/37/79/343623779.db2.gz QWDGZWBPLJZAFQ-UHFFFAOYSA-N 1 1 190.290 1.906 50 0 in-vitro ADAAMO CC[C@H](C)[NH2+][C@@H](CN)c1ccco1 83760945 343624021 /nfs/dbraw/zinc/62/40/21/343624021.db2.gz PPVANSNFHRGNHM-IUCAKERBSA-N 1 1 182.267 1.668 50 0 in-vitro ADAAMO CC[C@H](C)[NH2+][C@H](CN)c1ccco1 83760951 343624180 /nfs/dbraw/zinc/62/41/80/343624180.db2.gz PPVANSNFHRGNHM-DTWKUNHWSA-N 1 1 182.267 1.668 50 0 in-vitro ADAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](O)C[C@H]1C 85409917 343643603 /nfs/dbraw/zinc/64/36/03/343643603.db2.gz LOJBMEUIYQOYTE-BBBLOLIVSA-N 1 1 171.284 1.486 50 0 ADAAMO CN(C)[C@@H](C[NH3+])C1CCCCC1 95348465 343682982 /nfs/dbraw/zinc/68/29/82/343682982.db2.gz SKVJPJNCPKDEAF-JTQLQIEISA-N 1 1 170.300 1.456 50 0 ADAAMO C[C@H]1C[N@@H+](C)CCC1(F)F 85650640 343646270 /nfs/dbraw/zinc/64/62/70/343646270.db2.gz TXGUJJOFIVGZFB-LURJTMIESA-N 1 1 149.184 1.593 50 0 ADAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCCC1=O 86498481 343652516 /nfs/dbraw/zinc/65/25/16/343652516.db2.gz WCSFWFSXBSMKMY-UWVGGRQHSA-N 1 1 181.279 1.840 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O 86498479 343652527 /nfs/dbraw/zinc/65/25/27/343652527.db2.gz WCSFWFSXBSMKMY-VHSXEESVSA-N 1 1 181.279 1.840 50 0 in-vitro ADAAMO CC1CC[NH+](C2CC(N)C2)CC1 86662795 343653472 /nfs/dbraw/zinc/65/34/72/343653472.db2.gz STISQCNKJBQVMB-UHFFFAOYSA-N 1 1 168.284 1.208 50 0 ADAAMO CC1CCN(C2CC([NH3+])C2)CC1 86662795 343653476 /nfs/dbraw/zinc/65/34/76/343653476.db2.gz STISQCNKJBQVMB-UHFFFAOYSA-N 1 1 168.284 1.208 50 0 ADAAMO C[C@H]1CCCC[N@@H+]1[C@@H]1CCCNC1 87876310 343664975 /nfs/dbraw/zinc/66/49/75/343664975.db2.gz XLGDVRUTJTXZGE-WDEREUQCSA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@H]1CCCC[N@H+]1[C@@H]1CCCNC1 87876310 343664978 /nfs/dbraw/zinc/66/49/78/343664978.db2.gz XLGDVRUTJTXZGE-WDEREUQCSA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@H]1CCC[N@@H+]([C@@H]2CCCNC2)C1 87876312 343665266 /nfs/dbraw/zinc/66/52/66/343665266.db2.gz CJWRVRINIMDENH-WDEREUQCSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO CCOCC[N@@H+](C)CCC[C@@H](C)O 87978891 343665867 /nfs/dbraw/zinc/66/58/67/343665867.db2.gz OBTWAKVPPUKKDZ-SNVBAGLBSA-N 1 1 189.299 1.116 50 0 ADAAMO Cc1ccc2[nH+]cc(C)n2c1 89202035 343672880 /nfs/dbraw/zinc/67/28/80/343672880.db2.gz VVWRVGQVEMXVQB-UHFFFAOYSA-N 1 1 146.193 1.951 50 0 in-vitro ADAAMO CC(C)OCC[N@@H+](C)CC1CC1 89887862 343674574 /nfs/dbraw/zinc/67/45/74/343674574.db2.gz UURBXZIEBZKQPK-UHFFFAOYSA-N 1 1 171.284 1.753 50 0 ADAAMO C[NH+](C)C[C@H](N)Cc1ccccc1 95079700 343679458 /nfs/dbraw/zinc/67/94/58/343679458.db2.gz HKHSRJNAQHRMGT-LLVKDONJSA-N 1 1 178.279 1.118 50 0 ADAAMO C[NH+](C)C[C@@H](N)Cc1ccccc1 95079701 343679608 /nfs/dbraw/zinc/67/96/08/343679608.db2.gz HKHSRJNAQHRMGT-NSHDSACASA-N 1 1 178.279 1.118 50 0 ADAAMO Cc1[nH+]ccn1-c1ccc(C=O)cc1 95081264 343680136 /nfs/dbraw/zinc/68/01/36/343680136.db2.gz DKYJGBSRSBDUAL-UHFFFAOYSA-N 1 1 186.214 1.993 50 0 in-vitro ADAAMO Cc1nc(C(C)C)sc1C(=O)C[NH3+] 95093928 343681118 /nfs/dbraw/zinc/68/11/18/343681118.db2.gz RZRHWLJCRZWAFQ-UHFFFAOYSA-N 1 1 198.291 1.716 50 0 ADAAMO C[NH+](C)CCNCc1ccccc1F 95212888 343682439 /nfs/dbraw/zinc/68/24/39/343682439.db2.gz HTBXSNPURUNNNU-UHFFFAOYSA-N 1 1 196.269 1.477 50 0 in-vitro ADAAMO CN(C)C1(C[NH3+])CCCCC1 95351731 343683021 /nfs/dbraw/zinc/68/30/21/343683021.db2.gz TYMAJBZHTKCAJJ-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC(C)[N@H+]1CCc2ncsc2C1 95347815 343683085 /nfs/dbraw/zinc/68/30/85/343683085.db2.gz RTIFSWHBNPCOME-UHFFFAOYSA-N 1 1 182.292 1.910 50 0 in-vitro ADAAMO Cc1nc([C@H]2CCCCC[NH2+]2)no1 95348368 343683220 /nfs/dbraw/zinc/68/32/20/343683220.db2.gz YONREVWIEOKSMK-MRVPVSSYSA-N 1 1 181.239 1.583 50 0 in-vitro ADAAMO CN(C)[C@H](C[NH3+])C1CCCCC1 95348466 343683291 /nfs/dbraw/zinc/68/32/91/343683291.db2.gz SKVJPJNCPKDEAF-SNVBAGLBSA-N 1 1 170.300 1.456 50 0 ADAAMO Cc1ccc(C[NH2+]CCN(C)C)o1 95223306 343683300 /nfs/dbraw/zinc/68/33/00/343683300.db2.gz KMMNJQOFNFWIQZ-UHFFFAOYSA-N 1 1 182.267 1.239 50 0 in-vitro ADAAMO C[C@H]1CC[NH2+]CC1(F)F 95348221 343683337 /nfs/dbraw/zinc/68/33/37/343683337.db2.gz MVQKDOYPBRWCRW-YFKPBYRVSA-N 1 1 135.157 1.251 50 0 in-vitro ADAAMO CC1=CC(C)=N[C@H]2NC(=[NH2+])S[C@H]12 95482124 343683710 /nfs/dbraw/zinc/68/37/10/343683710.db2.gz VNJJAKGNDNRZHB-RQJHMYQMSA-N 1 1 181.264 1.163 50 0 ADAAMO CC1=CC(C)=N[C@@H]2NC(=[NH2+])S[C@@H]12 95482127 343683948 /nfs/dbraw/zinc/68/39/48/343683948.db2.gz VNJJAKGNDNRZHB-NKWVEPMBSA-N 1 1 181.264 1.163 50 0 ADAAMO CC1=CC(C)=N[C@@H]2NC(=[NH2+])S[C@H]12 95482125 343683973 /nfs/dbraw/zinc/68/39/73/343683973.db2.gz VNJJAKGNDNRZHB-RNFRBKRXSA-N 1 1 181.264 1.163 50 0 ADAAMO Cc1c(F)cc[nH+]c1N 95761873 343687761 /nfs/dbraw/zinc/68/77/61/343687761.db2.gz UNIROZFYYIVBME-UHFFFAOYSA-N 1 1 126.134 1.111 50 0 ADAAMO Cc1c[nH+]cn1C(C)(C)C 95883776 343689277 /nfs/dbraw/zinc/68/92/77/343689277.db2.gz DJLWZABXSFEEHD-UHFFFAOYSA-N 1 1 138.214 1.947 50 0 in-vitro ADAAMO CC1(C)CNc2[nH+]cccc21 96028835 343692936 /nfs/dbraw/zinc/69/29/36/343692936.db2.gz RKOPPQLAXXNYAH-UHFFFAOYSA-N 1 1 148.209 1.785 50 0 ADAAMO CC[N@H+]1CC[C@@H](OC(=O)C(C)(C)C)C1 96026990 343692940 /nfs/dbraw/zinc/69/29/40/343692940.db2.gz NLPNAGJBNHWKQL-SECBINFHSA-N 1 1 199.294 1.670 50 0 ADAAMO CC[N@H+]1CC[C@H](OC(=O)C(C)(C)C)C1 96026989 343692957 /nfs/dbraw/zinc/69/29/57/343692957.db2.gz NLPNAGJBNHWKQL-VIFPVBQESA-N 1 1 199.294 1.670 50 0 ADAAMO Cc1cc(C)c2c(c1)NC(=O)[C@H]2[NH3+] 96068502 343694366 /nfs/dbraw/zinc/69/43/66/343694366.db2.gz RNMGHNNYUXCJOW-VIFPVBQESA-N 1 1 176.219 1.255 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@@H+]1C1CCNCC1 96319819 343695961 /nfs/dbraw/zinc/69/59/61/343695961.db2.gz ZXUICRDVIUWNIY-JTQLQIEISA-N 1 1 182.311 1.613 50 0 in-vitro ADAAMO C[C@H]1C[N@@H+](C)C(C)(C)C[C@H]1O 96372350 343696790 /nfs/dbraw/zinc/69/67/90/343696790.db2.gz VCTKUJRILCIKDW-JGVFFNPUSA-N 1 1 157.257 1.098 50 0 ADAAMO CCCC[N@@H+](C)CCN1CCCC1=O 97159035 343702082 /nfs/dbraw/zinc/70/20/82/343702082.db2.gz CEWIUOYCROLNCG-UHFFFAOYSA-N 1 1 198.310 1.341 50 0 ADAAMO C[N@@H+]1CCN[C@H](c2ccccc2)C1 97664119 343702918 /nfs/dbraw/zinc/70/29/18/343702918.db2.gz IRMBVBDXXYXPEW-NSHDSACASA-N 1 1 176.263 1.263 50 0 in-vitro ADAAMO C[N@H+]1CCN[C@H](c2ccccc2)C1 97664119 343702920 /nfs/dbraw/zinc/70/29/20/343702920.db2.gz IRMBVBDXXYXPEW-NSHDSACASA-N 1 1 176.263 1.263 50 0 in-vitro ADAAMO C[N@@H+]1CCN[C@@H](c2ccccc2)C1 97664120 343703031 /nfs/dbraw/zinc/70/30/31/343703031.db2.gz IRMBVBDXXYXPEW-LLVKDONJSA-N 1 1 176.263 1.263 50 0 in-vitro ADAAMO C[N@H+]1CCN[C@@H](c2ccccc2)C1 97664120 343703034 /nfs/dbraw/zinc/70/30/34/343703034.db2.gz IRMBVBDXXYXPEW-LLVKDONJSA-N 1 1 176.263 1.263 50 0 in-vitro ADAAMO C[C@H]1CCC[C@@H](C)[N@H+]1CCN 97785670 343703861 /nfs/dbraw/zinc/70/38/61/343703861.db2.gz DQQHMRVHTMHDGE-DTORHVGOSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO C[C@H]1CCC[C@@H](C)N1CC[NH3+] 97785670 343703864 /nfs/dbraw/zinc/70/38/64/343703864.db2.gz DQQHMRVHTMHDGE-DTORHVGOSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC/C=C(\C)C(=O)N1CC[NH+](C)CC1 98054601 343704690 /nfs/dbraw/zinc/70/46/90/343704690.db2.gz RRNKPIPJMXBHPA-BJMVGYQFSA-N 1 1 196.294 1.117 50 0 ADAAMO CCc1cccc2c1NC(=O)[C@H]2[NH3+] 100094798 343710931 /nfs/dbraw/zinc/71/09/31/343710931.db2.gz MDJNXXSBKACNFQ-QMMMGPOBSA-N 1 1 176.219 1.201 50 0 ADAAMO CCc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2 100094726 343710951 /nfs/dbraw/zinc/71/09/51/343710951.db2.gz ZJZASJONSHRXQE-SECBINFHSA-N 1 1 176.219 1.201 50 0 in-vitro ADAAMO CC(C)c1ccc2c(c1)[C@@H]([NH3+])C(=O)N2 100480837 343717525 /nfs/dbraw/zinc/71/75/25/343717525.db2.gz VDZMKTOVXQCCOL-SNVBAGLBSA-N 1 1 190.246 1.762 50 0 in-vitro ADAAMO CCc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2C 100477944 343717527 /nfs/dbraw/zinc/71/75/27/343717527.db2.gz RDMDXEIVHDAYNQ-SNVBAGLBSA-N 1 1 190.246 1.225 50 0 in-vitro ADAAMO CCCN1C(=O)[C@@H]([NH3+])c2ccccc21 100482016 343717560 /nfs/dbraw/zinc/71/75/60/343717560.db2.gz WPQIYZPDDXOIQR-JTQLQIEISA-N 1 1 190.246 1.443 50 0 ADAAMO CC1=CSC2=[NH+]CCCN12 100725893 343720107 /nfs/dbraw/zinc/72/01/07/343720107.db2.gz CSLUAIAPONZAKA-UHFFFAOYSA-N 1 1 154.238 1.656 50 0 ADAAMO C[C@H]1CCC[N@H+]([C@H](C)CO)C1 101001407 343721590 /nfs/dbraw/zinc/72/15/90/343721590.db2.gz IVFMCLNSQCOKJU-DTWKUNHWSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO C[C@H](N)C[N@H+]1CCC[C@H](C)C1 101201865 343723098 /nfs/dbraw/zinc/72/30/98/343723098.db2.gz OPSPNTUNGOXOIC-IUCAKERBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]([NH3+])CN1CCC[C@H](C)C1 101201865 343723100 /nfs/dbraw/zinc/72/31/00/343723100.db2.gz OPSPNTUNGOXOIC-IUCAKERBSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]([NH3+])CN1C[C@@H](C)C[C@H](C)C1 101211029 343723157 /nfs/dbraw/zinc/72/31/57/343723157.db2.gz JYXDJWHFBOONFW-GUBZILKMSA-N 1 1 170.300 1.312 50 0 in-vitro ADAAMO C[C@H]1CCC[N@H+]([C@H](C)CN)C1 101266174 343723208 /nfs/dbraw/zinc/72/32/08/343723208.db2.gz UZMIFBCNBIXTAN-DTWKUNHWSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@H]1CCCN([C@H](C)C[NH3+])C1 101266174 343723211 /nfs/dbraw/zinc/72/32/11/343723211.db2.gz UZMIFBCNBIXTAN-DTWKUNHWSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 101344810 343723534 /nfs/dbraw/zinc/72/35/34/343723534.db2.gz QDWRCNCPOBBLRJ-VHSXEESVSA-N 1 1 171.284 1.489 50 0 in-vitro ADAAMO CCC[N@H+]1CCC[C@H]([C@H](C)O)C1 101344807 343723651 /nfs/dbraw/zinc/72/36/51/343723651.db2.gz QDWRCNCPOBBLRJ-UWVGGRQHSA-N 1 1 171.284 1.489 50 0 in-vitro ADAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCCC1=O 101640330 343724946 /nfs/dbraw/zinc/72/49/46/343724946.db2.gz WCSFWFSXBSMKMY-NXEZZACHSA-N 1 1 181.279 1.840 50 0 in-vitro ADAAMO Cc1cc(N)c(C)[nH+]c1C 104559346 343732598 /nfs/dbraw/zinc/73/25/98/343732598.db2.gz OFNDKMSILLWOIA-UHFFFAOYSA-N 1 1 136.198 1.589 50 0 ADAAMO CC(C)c1[nH]c[nH+]c1N 106773618 343738782 /nfs/dbraw/zinc/73/87/82/343738782.db2.gz UOUZWFWTALACQN-UHFFFAOYSA-N 1 1 125.175 1.115 50 0 ADAAMO C[C@H]1CCC[N@@H+]([C@H]2CCCNC2)C1 112940615 343755887 /nfs/dbraw/zinc/75/58/87/343755887.db2.gz CJWRVRINIMDENH-QWRGUYRKSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@H]1CCC[N@H+]([C@H]2CCCNC2)C1 112940615 343755891 /nfs/dbraw/zinc/75/58/91/343755891.db2.gz CJWRVRINIMDENH-QWRGUYRKSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@@H+]([C@H]2CCCNC2)C1 112940618 343756081 /nfs/dbraw/zinc/75/60/81/343756081.db2.gz CJWRVRINIMDENH-MNOVXSKESA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+]([C@H]2CCCNC2)C1 112940618 343756084 /nfs/dbraw/zinc/75/60/84/343756084.db2.gz CJWRVRINIMDENH-MNOVXSKESA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO Nc1[nH+]ccc(C(F)(F)F)c1N 113225433 343757524 /nfs/dbraw/zinc/75/75/24/343757524.db2.gz GWABXOGIRRPNDK-UHFFFAOYSA-N 1 1 177.129 1.265 50 0 ADAAMO C[C@H]1Cc2[nH]c[nH+]c2C[C@@H]1C 116320342 343769009 /nfs/dbraw/zinc/76/90/09/343769009.db2.gz DGMYJUWVCRQEJV-BQBZGAKWSA-N 1 1 150.225 1.781 50 0 ADAAMO C[C@H]1Cc2[nH+]c[nH]c2C[C@H]1C 116320339 343769105 /nfs/dbraw/zinc/76/91/05/343769105.db2.gz DGMYJUWVCRQEJV-KNVOCYPGSA-N 1 1 150.225 1.781 50 0 ADAAMO C[C@H]1Cc2[nH]c[nH+]c2C[C@H]1C 116320339 343769106 /nfs/dbraw/zinc/76/91/06/343769106.db2.gz DGMYJUWVCRQEJV-KNVOCYPGSA-N 1 1 150.225 1.781 50 0 ADAAMO Cc1cccc(N2CCCC2)[nH+]1 116409615 343769806 /nfs/dbraw/zinc/76/98/06/343769806.db2.gz PGRMFTSBMKAGJM-UHFFFAOYSA-N 1 1 162.236 1.990 50 0 ADAAMO CC(C)(C)OC(=O)[C@@H]([NH3+])CCF 123671203 343784203 /nfs/dbraw/zinc/78/42/03/343784203.db2.gz OUMNWHCMKSTYMF-LURJTMIESA-N 1 1 177.219 1.015 50 0 ADAAMO CC[C@H](C)[N@H+]1CCNC[C@H]1C 135081335 343954220 /nfs/dbraw/zinc/95/42/20/343954220.db2.gz LFQMHTLYWHHVFZ-DTWKUNHWSA-N 1 1 156.273 1.079 50 0 ADAAMO CC[C@H](C)N1CC[NH2+]C[C@H]1C 135081335 343954222 /nfs/dbraw/zinc/95/42/22/343954222.db2.gz LFQMHTLYWHHVFZ-DTWKUNHWSA-N 1 1 156.273 1.079 50 0 ADAAMO Nc1[nH+]ccc2ccc(O)cc12 141011088 344002852 /nfs/dbraw/zinc/00/28/52/344002852.db2.gz RXUCSGSFYHUFFS-UHFFFAOYSA-N 1 1 160.176 1.523 50 0 ADAAMO C[C@@H]1CC[N@H+](C(C)(C)C)C[C@H]1O 147056985 344043042 /nfs/dbraw/zinc/04/30/42/344043042.db2.gz TYIUEUAUKSQXAM-RKDXNWHRSA-N 1 1 171.284 1.488 50 0 ADAAMO C[C@H]1CC[N@H+](C(C)(C)C)C[C@H]1O 147058522 344043180 /nfs/dbraw/zinc/04/31/80/344043180.db2.gz TYIUEUAUKSQXAM-DTWKUNHWSA-N 1 1 171.284 1.488 50 0 ADAAMO Cc1ccccc1C1(F)C[NH2+]C1 156386588 344084793 /nfs/dbraw/zinc/08/47/93/344084793.db2.gz ZQWGUJMRDCBILY-UHFFFAOYSA-N 1 1 165.211 1.763 50 0 ADAAMO C[C@H](O)C[N@H+]1CCCC[C@H]1C 156550406 344091014 /nfs/dbraw/zinc/09/10/14/344091014.db2.gz SJVZIMJRRLNDLA-BDAKNGLRSA-N 1 1 157.257 1.242 50 0 ADAAMO CC[NH+](CC)C1(C)CCNCC1 160586850 344171040 /nfs/dbraw/zinc/17/10/40/344171040.db2.gz GBNJJEHJBBOBND-UHFFFAOYSA-N 1 1 170.300 1.470 50 0 ADAAMO Nc1[nH]c2cc(F)cc(F)c2[nH+]1 162592285 344210375 /nfs/dbraw/zinc/21/03/75/344210375.db2.gz HBDHBWGPJFKWGM-UHFFFAOYSA-N 1 1 169.134 1.423 50 0 ADAAMO Nc1[nH]c2c(F)cc(F)cc2[nH+]1 162592285 344210374 /nfs/dbraw/zinc/21/03/74/344210374.db2.gz HBDHBWGPJFKWGM-UHFFFAOYSA-N 1 1 169.134 1.423 50 0 ADAAMO Cc1nc(C[NH2+][C@@H](C)CC(C)C)no1 170685739 344354586 /nfs/dbraw/zinc/35/45/86/344354586.db2.gz WDADIFKZIDSAPY-QMMMGPOBSA-N 1 1 197.282 1.902 50 0 ADAAMO Cc1nc(C[NH2+][C@H](C)CC(C)C)no1 170685743 344354595 /nfs/dbraw/zinc/35/45/95/344354595.db2.gz WDADIFKZIDSAPY-MRVPVSSYSA-N 1 1 197.282 1.902 50 0 ADAAMO Cc1c[nH]c2[nH+]ccc(N)c12 206022831 344375075 /nfs/dbraw/zinc/37/50/75/344375075.db2.gz MSPDBEMMMAWEQM-UHFFFAOYSA-N 1 1 147.181 1.454 50 0 ADAAMO NC[C@H]1CC[N@H+]1C1CCCCC1 215767048 344391862 /nfs/dbraw/zinc/39/18/62/344391862.db2.gz UBKIBQJUVGCHNH-SNVBAGLBSA-N 1 1 168.284 1.352 50 0 ADAAMO [NH3+]C[C@H]1CCN1C1CCCCC1 215767048 344391865 /nfs/dbraw/zinc/39/18/65/344391865.db2.gz UBKIBQJUVGCHNH-SNVBAGLBSA-N 1 1 168.284 1.352 50 0 ADAAMO NC[C@@H]1CC[N@H+]1C1CCCCC1 215767094 344391951 /nfs/dbraw/zinc/39/19/51/344391951.db2.gz UBKIBQJUVGCHNH-JTQLQIEISA-N 1 1 168.284 1.352 50 0 ADAAMO [NH3+]C[C@@H]1CCN1C1CCCCC1 215767094 344391957 /nfs/dbraw/zinc/39/19/57/344391957.db2.gz UBKIBQJUVGCHNH-JTQLQIEISA-N 1 1 168.284 1.352 50 0 ADAAMO Oc1c[nH+]c2c(c1)CCCN2 220485253 344432745 /nfs/dbraw/zinc/43/27/45/344432745.db2.gz UXKQKKRFVMQLKU-UHFFFAOYSA-N 1 1 150.181 1.145 50 0 ADAAMO Cc1cc(C)c(CO)c(C)[nH+]1 231542373 344654172 /nfs/dbraw/zinc/65/41/72/344654172.db2.gz XNHRGDXBBBYODI-UHFFFAOYSA-N 1 1 151.209 1.499 50 0 in-vitro ADAAMO Cc1csc(C(=O)C[NH3+])c1Cl 235826319 344768111 /nfs/dbraw/zinc/76/81/11/344768111.db2.gz QNDNXCBIQHVBAO-UHFFFAOYSA-N 1 1 189.667 1.851 50 0 ADAAMO CCC1([NH+](C)C)CCNCC1 238232803 344796592 /nfs/dbraw/zinc/79/65/92/344796592.db2.gz DNXPEJJQOYNWMD-UHFFFAOYSA-N 1 1 156.273 1.080 50 0 in-vitro ADAAMO COc1cc[nH+]c(N)c1C(F)(F)F 238385112 344804325 /nfs/dbraw/zinc/80/43/25/344804325.db2.gz QHBHYHPFYCZMDB-UHFFFAOYSA-N 1 1 192.140 1.691 50 0 ADAAMO Nc1cc(N)[nH+]c(C(F)(F)F)c1 238698634 344820250 /nfs/dbraw/zinc/82/02/50/344820250.db2.gz BQOQCOASPGAOOT-UHFFFAOYSA-N 1 1 177.129 1.265 50 0 ADAAMO C[N@@H+]1CC[C@@H](N)[C@H]1c1ccccc1 238850945 344823202 /nfs/dbraw/zinc/82/32/02/344823202.db2.gz DLENRPOBIBOYGR-GHMZBOCLSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@H+]1CC[C@@H](N)[C@H]1c1ccccc1 238850945 344823203 /nfs/dbraw/zinc/82/32/03/344823203.db2.gz DLENRPOBIBOYGR-GHMZBOCLSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@@H+]1CC[C@H](N)[C@H]1c1ccccc1 238850946 344823210 /nfs/dbraw/zinc/82/32/10/344823210.db2.gz DLENRPOBIBOYGR-WDEREUQCSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[N@H+]1CC[C@H](N)[C@H]1c1ccccc1 238850946 344823211 /nfs/dbraw/zinc/82/32/11/344823211.db2.gz DLENRPOBIBOYGR-WDEREUQCSA-N 1 1 176.263 1.391 50 0 in-vitro ADAAMO C[C@H]1C[N@H+](C[C@H]2CCCO2)CCC1=O 238852698 344823670 /nfs/dbraw/zinc/82/36/70/344823670.db2.gz HDGVSLAEBSMFSD-VHSXEESVSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@H]1C[N@@H+](C[C@H]2CCCO2)CCC1=O 238852698 344823672 /nfs/dbraw/zinc/82/36/72/344823672.db2.gz HDGVSLAEBSMFSD-VHSXEESVSA-N 1 1 197.278 1.076 50 0 ADAAMO C[N@H+]1CCC(=O)[C@@H]2CCC[C@H]21 238857177 344824401 /nfs/dbraw/zinc/82/44/01/344824401.db2.gz YGEYYJFGMWCUNV-HTQZYQBOSA-N 1 1 153.225 1.060 50 0 in-vitro ADAAMO CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 239297256 344824424 /nfs/dbraw/zinc/82/44/24/344824424.db2.gz DUVQFTFUAMXIGS-NXEZZACHSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO C[N@H+]1CCC(=O)[C@H]2CCC[C@H]21 238857179 344824431 /nfs/dbraw/zinc/82/44/31/344824431.db2.gz YGEYYJFGMWCUNV-JGVFFNPUSA-N 1 1 153.225 1.060 50 0 in-vitro ADAAMO C[N@H+]1CC[C@](C)(O)[C@H]2CCCC[C@H]21 239377951 344824446 /nfs/dbraw/zinc/82/44/46/344824446.db2.gz OFUROGGOSSXCBF-AXFHLTTASA-N 1 1 183.295 1.632 50 0 ADAAMO CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 239297257 344824477 /nfs/dbraw/zinc/82/44/77/344824477.db2.gz DUVQFTFUAMXIGS-VHSXEESVSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO C[C@H]1CCCC[N@@H+]1[C@H]1CCCNC1 248095326 344827400 /nfs/dbraw/zinc/82/74/00/344827400.db2.gz XLGDVRUTJTXZGE-QWRGUYRKSA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@H]1CCCC[N@H+]1[C@H]1CCCNC1 248095326 344827402 /nfs/dbraw/zinc/82/74/02/344827402.db2.gz XLGDVRUTJTXZGE-QWRGUYRKSA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@H](CO)[N@H+]1CCCC[C@H]1C 248118192 344827529 /nfs/dbraw/zinc/82/75/29/344827529.db2.gz UCTLHKSQISSPFT-RKDXNWHRSA-N 1 1 157.257 1.242 50 0 in-vitro ADAAMO CCC(=O)O[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 249690719 344827859 /nfs/dbraw/zinc/82/78/59/344827859.db2.gz KNMVFWWXROFBOR-OPRDCNLKSA-N 1 1 199.294 1.668 50 0 ADAAMO CCC(=O)O[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 249690718 344828165 /nfs/dbraw/zinc/82/81/65/344828165.db2.gz KNMVFWWXROFBOR-KXUCPTDWSA-N 1 1 199.294 1.668 50 0 ADAAMO Cn1ccc(C[N@@H+](C)C2CCCC2)n1 253393466 344933869 /nfs/dbraw/zinc/93/38/69/344933869.db2.gz WCJVKDIBTLCCRF-UHFFFAOYSA-N 1 1 193.294 1.795 50 0 ADAAMO C[N@H+]1CC[C@@]2(O)CC=CC[C@H]2C1 257358822 344942099 /nfs/dbraw/zinc/94/20/99/344942099.db2.gz WQCBUTKYOJXQGG-UWVGGRQHSA-N 1 1 167.252 1.019 50 0 ADAAMO C[N@H+]1CC[C@]2(O)CC=CC[C@H]2C1 257358823 344942148 /nfs/dbraw/zinc/94/21/48/344942148.db2.gz WQCBUTKYOJXQGG-VHSXEESVSA-N 1 1 167.252 1.019 50 0 ADAAMO CC(F)(F)c1nnc(C[NH3+])s1 306274355 345162239 /nfs/dbraw/zinc/16/22/39/345162239.db2.gz BRSOGEYHWHUIDB-UHFFFAOYSA-N 1 1 179.195 1.109 50 0 ADAAMO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]Cc1ccn[nH]1 306570570 345447806 /nfs/dbraw/zinc/44/78/06/345447806.db2.gz ZALWBZDUUKEACB-JZYVYDRUSA-N 1 1 193.294 1.934 50 0 ADAAMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccco1 307201283 345886478 /nfs/dbraw/zinc/88/64/78/345886478.db2.gz CWQOKNLUHXHFAK-NXEZZACHSA-N 1 1 195.262 1.625 50 0 ADAAMO c1nc(C[NH2+]C2CSC2)cs1 307642788 346164162 /nfs/dbraw/zinc/16/41/62/346164162.db2.gz MVWCHJZVUUAWAQ-UHFFFAOYSA-N 1 1 186.305 1.348 50 0 ADAAMO Cc1n[nH]cc1C[N@@H+]1CC[C@](C)(F)C1 335313919 346389139 /nfs/dbraw/zinc/38/91/39/346389139.db2.gz YUNHBNGFRBIRFX-JTQLQIEISA-N 1 1 197.257 1.652 50 0 ADAAMO Cc1n[nH]cc1C[N@H+]1CC[C@](C)(F)C1 335313919 346389140 /nfs/dbraw/zinc/38/91/40/346389140.db2.gz YUNHBNGFRBIRFX-JTQLQIEISA-N 1 1 197.257 1.652 50 0 ADAAMO C[C@@]1(F)CCC[N@@H+](CCCO)C1 336267477 346451069 /nfs/dbraw/zinc/45/10/69/346451069.db2.gz RYLVXHJZODBTBZ-SECBINFHSA-N 1 1 175.247 1.193 50 0 ADAAMO C[C@]1(F)CCC[N@@H+](CCCO)C1 336267478 346451158 /nfs/dbraw/zinc/45/11/58/346451158.db2.gz RYLVXHJZODBTBZ-VIFPVBQESA-N 1 1 175.247 1.193 50 0 ADAAMO C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 336382829 346459136 /nfs/dbraw/zinc/45/91/36/346459136.db2.gz XFGMXWZXBFQKLU-VHSXEESVSA-N 1 1 198.310 1.195 50 0 ADAAMO CC(C)c1[nH+]ccn1[C@H]1CCOC1 336373859 346459270 /nfs/dbraw/zinc/45/92/70/346459270.db2.gz GDHMVIVKNCYLJD-VIFPVBQESA-N 1 1 180.251 1.968 50 0 ADAAMO CC(C)c1[nH+]ccn1[C@@H]1CCOC1 336373856 346459346 /nfs/dbraw/zinc/45/93/46/346459346.db2.gz GDHMVIVKNCYLJD-SECBINFHSA-N 1 1 180.251 1.968 50 0 ADAAMO C[N@@H+](CC=C(Cl)Cl)CCCO 403693439 346638319 /nfs/dbraw/zinc/63/83/19/346638319.db2.gz ZQPYGYQATUJKTD-UHFFFAOYSA-N 1 1 198.093 1.620 50 0 ADAAMO C[N@H+](CC=C(Cl)Cl)CCCO 403693439 346638324 /nfs/dbraw/zinc/63/83/24/346638324.db2.gz ZQPYGYQATUJKTD-UHFFFAOYSA-N 1 1 198.093 1.620 50 0 ADAAMO c1c[nH+]c2c(c1)C1(CCOCC1)CN2 521396000 346710029 /nfs/dbraw/zinc/71/00/29/346710029.db2.gz BLYYEQOCFASGHS-UHFFFAOYSA-N 1 1 190.246 1.555 50 0 ADAAMO Cc1ccc(C(=[NH2+])NO)c(F)c1 584595030 346719133 /nfs/dbraw/zinc/71/91/33/346719133.db2.gz VAFZTNBEYGKMHH-UHFFFAOYSA-N 1 1 168.171 1.438 50 0 ADAAMO CC(C)CCCC[N@@H+]1CCNC(=O)C1 585136127 346753067 /nfs/dbraw/zinc/75/30/67/346753067.db2.gz RPJSFKORICDCNK-UHFFFAOYSA-N 1 1 198.310 1.245 50 0 ADAAMO CC(C)CCCC[N@H+]1CCNC(=O)C1 585136127 346753069 /nfs/dbraw/zinc/75/30/69/346753069.db2.gz RPJSFKORICDCNK-UHFFFAOYSA-N 1 1 198.310 1.245 50 0 ADAAMO CCSCC[N@H+](C)Cc1c[nH]cn1 595595014 346861329 /nfs/dbraw/zinc/86/13/29/346861329.db2.gz ALUMNBRXQKUHHO-UHFFFAOYSA-N 1 1 199.323 1.595 50 0 ADAAMO CCSCC[N@@H+](C)Cc1c[nH]cn1 595595014 346861330 /nfs/dbraw/zinc/86/13/30/346861330.db2.gz ALUMNBRXQKUHHO-UHFFFAOYSA-N 1 1 199.323 1.595 50 0 ADAAMO CC[N@@H+](CC1CC1)C1CC(O)C1 601014783 346919328 /nfs/dbraw/zinc/91/93/28/346919328.db2.gz ICJNLOIHPPFRLW-UHFFFAOYSA-N 1 1 169.268 1.242 50 0 ADAAMO Clc1ncn(-c2cc[nH+]cc2)n1 604400428 346962689 /nfs/dbraw/zinc/96/26/89/346962689.db2.gz OMFRSCGEFRGPFP-UHFFFAOYSA-N 1 1 180.598 1.316 50 0 ADAAMO OC[C@H]1CCC[N@H+]2CCCC[C@H]12 31166 351268383 /nfs/dbraw/zinc/26/83/83/351268383.db2.gz HDVAWXXJVMJBAR-NXEZZACHSA-N 1 1 169.268 1.243 50 0 biogenic,in-vitro ADAAMO O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 66050 351269199 /nfs/dbraw/zinc/26/91/99/351269199.db2.gz UTTCOAGPVHRUFO-GFCCVEGCSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 66057 351269369 /nfs/dbraw/zinc/26/93/69/351269369.db2.gz UTTCOAGPVHRUFO-LBPRGKRZSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO C[C@@H]1CC[N@@H+](C(C)(C)C)CC1=O 62087 351269736 /nfs/dbraw/zinc/26/97/36/351269736.db2.gz YKYYRENVLBAHKM-MRVPVSSYSA-N 1 1 169.268 1.696 50 0 ADAAMO C[C@@H]1CC[N@H+](C(C)(C)C)CC1=O 62087 351269739 /nfs/dbraw/zinc/26/97/39/351269739.db2.gz YKYYRENVLBAHKM-MRVPVSSYSA-N 1 1 169.268 1.696 50 0 ADAAMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1 120477 351270592 /nfs/dbraw/zinc/27/05/92/351270592.db2.gz ZAIQBJPTOXDDKA-LBPRGKRZSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1 120486 351270834 /nfs/dbraw/zinc/27/08/34/351270834.db2.gz ZAIQBJPTOXDDKA-GFCCVEGCSA-N 1 1 191.274 1.643 50 0 in-vitro ADAAMO c1ccc(C[NH2+]Cc2ccco2)nc1 185755 351273091 /nfs/dbraw/zinc/27/30/91/351273091.db2.gz BQAHELYRKADDGO-UHFFFAOYSA-N 1 1 188.230 1.964 50 0 in-vitro ADAAMO O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 213015 351273228 /nfs/dbraw/zinc/27/32/28/351273228.db2.gz JLCQPMJBQFEEMH-LLVKDONJSA-N 1 1 195.237 1.392 50 0 ADAAMO O[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 213024 351273237 /nfs/dbraw/zinc/27/32/37/351273237.db2.gz JLCQPMJBQFEEMH-NSHDSACASA-N 1 1 195.237 1.392 50 0 in-vitro ADAAMO O[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 199796 351273802 /nfs/dbraw/zinc/27/38/02/351273802.db2.gz OXMGNUKXSWZDCD-LLVKDONJSA-N 1 1 192.262 1.038 50 0 ADAAMO C[C@@H]1CCC[N@@H+](C2CCNCC2)C1 299465 351275357 /nfs/dbraw/zinc/27/53/57/351275357.db2.gz HOMQMBUOTAUPAK-SNVBAGLBSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+](C2CCNCC2)C1 299465 351275359 /nfs/dbraw/zinc/27/53/59/351275359.db2.gz HOMQMBUOTAUPAK-SNVBAGLBSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO c1ccc(C[NH2+]Cc2cccnc2)nc1 333229 351275383 /nfs/dbraw/zinc/27/53/83/351275383.db2.gz RJUVENGJVAGIJY-UHFFFAOYSA-N 1 1 199.257 1.766 50 0 in-vitro ADAAMO c1ccc2c(c1)nnn2-c1cc[nH+]cc1 347863 351276210 /nfs/dbraw/zinc/27/62/10/351276210.db2.gz VYPSCVFMEKLKGG-UHFFFAOYSA-N 1 1 196.213 1.816 50 0 ADAAMO O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 389765 351277546 /nfs/dbraw/zinc/27/75/46/351277546.db2.gz YQMXOIAIYXXXEE-LLVKDONJSA-N 1 1 177.247 1.253 50 0 in-vitro ADAAMO O[C@H]1CC[N@@H+](Cc2ccccc2)C1 389767 351277814 /nfs/dbraw/zinc/27/78/14/351277814.db2.gz YQMXOIAIYXXXEE-NSHDSACASA-N 1 1 177.247 1.253 50 0 in-vitro ADAAMO c1ccc(C[NH2+]Cc2ccccn2)nc1 395498 351278504 /nfs/dbraw/zinc/27/85/04/351278504.db2.gz KXZQYLBVMZGIKC-UHFFFAOYSA-N 1 1 199.257 1.766 50 0 in-vitro ADAAMO OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 490789 351281451 /nfs/dbraw/zinc/28/14/51/351281451.db2.gz HDVAWXXJVMJBAR-ZJUUUORDSA-N 1 1 169.268 1.243 50 0 biogenic,in-vitro ADAAMO C[C@@H](c1ccccc1)[NH+]1CC(O)C1 771812 351281808 /nfs/dbraw/zinc/28/18/08/351281808.db2.gz DILWWMFEHWWBCX-VIFPVBQESA-N 1 1 177.247 1.424 50 0 ADAAMO c1coc(C[NH2+]Cc2ccncc2)c1 792251 351282492 /nfs/dbraw/zinc/28/24/92/351282492.db2.gz XOSIAFIXOKLHFK-UHFFFAOYSA-N 1 1 188.230 1.964 50 0 ADAAMO C[C@@H]1C(=O)C[C@@H](C(C)(C)C)C[N@H+]1C 1296179 351283904 /nfs/dbraw/zinc/28/39/04/351283904.db2.gz XDPTWFUYZSATFF-RKDXNWHRSA-N 1 1 183.295 1.942 50 0 ADAAMO C[C@@H]1C(=O)C[C@@H](C(C)(C)C)C[N@@H+]1C 1296179 351283908 /nfs/dbraw/zinc/28/39/08/351283908.db2.gz XDPTWFUYZSATFF-RKDXNWHRSA-N 1 1 183.295 1.942 50 0 ADAAMO C[C@@H]1C[C@H](O)C(C)(C)[N@@H+](C)C1 1296077 351284146 /nfs/dbraw/zinc/28/41/46/351284146.db2.gz INVCLHCIBAGWDL-SFYZADRCSA-N 1 1 157.257 1.098 50 0 ADAAMO C[C@@H]1C(=O)CC[N@@H+](C2CC2)[C@@H]1C 1076027 351284154 /nfs/dbraw/zinc/28/41/54/351284154.db2.gz SECVTNICLPFQPY-JGVFFNPUSA-N 1 1 167.252 1.448 50 0 ADAAMO C[C@@H]1CC(=O)C(C)(C)[N@@H+](C)C1 1296065 351284205 /nfs/dbraw/zinc/28/42/05/351284205.db2.gz YRDHEJROWHVLPI-SSDOTTSWSA-N 1 1 155.241 1.306 50 0 ADAAMO C[C@@H]1CC(=O)C(C)(C)[N@H+](C)C1 1296065 351284207 /nfs/dbraw/zinc/28/42/07/351284207.db2.gz YRDHEJROWHVLPI-SSDOTTSWSA-N 1 1 155.241 1.306 50 0 ADAAMO OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 1669260 351292427 /nfs/dbraw/zinc/29/24/27/351292427.db2.gz HDVAWXXJVMJBAR-UWVGGRQHSA-N 1 1 169.268 1.243 50 0 biogenic,in-vitro ADAAMO OCC[N@H+]1CCc2ccccc2C1 1689482 351294106 /nfs/dbraw/zinc/29/41/06/351294106.db2.gz WLRXAYDWKJAYPS-UHFFFAOYSA-N 1 1 177.247 1.037 50 0 in-vitro ADAAMO c1[nH]c2c([nH+]1)CCCC2 1734290 351298847 /nfs/dbraw/zinc/29/88/47/351298847.db2.gz KAWYASGZISVRAL-UHFFFAOYSA-N 1 1 122.171 1.289 50 0 in-vitro ADAAMO C[C@@H]1CCCC[N@H+]1CCCO 2043705 351303399 /nfs/dbraw/zinc/30/33/99/351303399.db2.gz JNSUUJLFWBSBME-SECBINFHSA-N 1 1 157.257 1.243 50 0 ADAAMO c1ccc2nc(C3=[NH+]CCN3)ccc2c1 2565858 351312496 /nfs/dbraw/zinc/31/24/96/351312496.db2.gz OSUVWJGCKQEMHK-UHFFFAOYSA-N 1 1 197.241 1.585 50 0 in-vivo ADAAMO CC(C)C[C@H]([NH3+])C(=O)OC(C)(C)C 2579053 351313177 /nfs/dbraw/zinc/31/31/77/351313177.db2.gz HBEJJYHFTZDAHZ-QMMMGPOBSA-N 1 1 187.283 1.702 50 0 ADAAMO CC(C)C[C@@H]([NH3+])C(=O)OC(C)(C)C 2575107 351313374 /nfs/dbraw/zinc/31/33/74/351313374.db2.gz HBEJJYHFTZDAHZ-MRVPVSSYSA-N 1 1 187.283 1.702 50 0 ADAAMO OC[C@H]1CCCC[N@H+]1Cc1ccco1 3682982 351319127 /nfs/dbraw/zinc/31/91/27/351319127.db2.gz RMMBZHULMFWBRK-SNVBAGLBSA-N 1 1 195.262 1.626 50 0 ADAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccco1 3682980 351319294 /nfs/dbraw/zinc/31/92/94/351319294.db2.gz RMMBZHULMFWBRK-JTQLQIEISA-N 1 1 195.262 1.626 50 0 ADAAMO OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 3881368 351322839 /nfs/dbraw/zinc/32/28/39/351322839.db2.gz HDVAWXXJVMJBAR-VHSXEESVSA-N 1 1 169.268 1.243 50 0 biogenic,in-vitro ADAAMO OC[C@H]1CC[N@@H+](Cc2ccccc2)C1 4202932 351325607 /nfs/dbraw/zinc/32/56/07/351325607.db2.gz QPQQBJDSKDWQMJ-LBPRGKRZSA-N 1 1 191.274 1.501 50 0 in-vitro ADAAMO OC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 4202933 351325803 /nfs/dbraw/zinc/32/58/03/351325803.db2.gz QPQQBJDSKDWQMJ-GFCCVEGCSA-N 1 1 191.274 1.501 50 0 in-vitro ADAAMO C[C@@H]1C[C@@H](O)C(C)(C)[N@@H+](C)C1 4343790 351327756 /nfs/dbraw/zinc/32/77/56/351327756.db2.gz INVCLHCIBAGWDL-HTQZYQBOSA-N 1 1 157.257 1.098 50 0 ADAAMO COCC[N@H+]1CCC(=O)[C@@H]2CCC[C@@H]21 4344154 351327917 /nfs/dbraw/zinc/32/79/17/351327917.db2.gz IUOLYOXUZNUQQK-ZJUUUORDSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@@H]1C(=O)C[C@H](C(C)(C)C)C[N@H+]1C 4343890 351328004 /nfs/dbraw/zinc/32/80/04/351328004.db2.gz XDPTWFUYZSATFF-BDAKNGLRSA-N 1 1 183.295 1.942 50 0 ADAAMO C[C@@H]1C(=O)C[C@H](C(C)(C)C)C[N@@H+]1C 4343890 351328008 /nfs/dbraw/zinc/32/80/08/351328008.db2.gz XDPTWFUYZSATFF-BDAKNGLRSA-N 1 1 183.295 1.942 50 0 ADAAMO COCC[N@H+]1CCC(=O)[C@H]2CCC[C@@H]21 4344153 351328056 /nfs/dbraw/zinc/32/80/56/351328056.db2.gz IUOLYOXUZNUQQK-UWVGGRQHSA-N 1 1 197.278 1.076 50 0 ADAAMO O[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 4558908 351330585 /nfs/dbraw/zinc/33/05/85/351330585.db2.gz AQUMROUGWVRZLQ-LLVKDONJSA-N 1 1 192.262 1.038 50 0 in-vitro ADAAMO O[C@H]1CCC[N@@H+](Cc2ccccn2)C1 4558906 351330705 /nfs/dbraw/zinc/33/07/05/351330705.db2.gz AQUMROUGWVRZLQ-NSHDSACASA-N 1 1 192.262 1.038 50 0 in-vitro ADAAMO C[C@@H]1C[N@@H+](C)C(C)(C)C[C@@H]1O 4558122 351331023 /nfs/dbraw/zinc/33/10/23/351331023.db2.gz VCTKUJRILCIKDW-SFYZADRCSA-N 1 1 157.257 1.098 50 0 ADAAMO C[C@@H]1CC[N@H+](C(C)(C)C)C[C@@H]1O 4751297 351332154 /nfs/dbraw/zinc/33/21/54/351332154.db2.gz TYIUEUAUKSQXAM-BDAKNGLRSA-N 1 1 171.284 1.488 50 0 ADAAMO O[C@H]1CCC[N@@H+](Cc2ccsc2)C1 4838197 351334421 /nfs/dbraw/zinc/33/44/21/351334421.db2.gz LJFCTASLJWBWFF-JTQLQIEISA-N 1 1 197.303 1.705 50 0 ADAAMO O[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 4838198 351334605 /nfs/dbraw/zinc/33/46/05/351334605.db2.gz LJFCTASLJWBWFF-SNVBAGLBSA-N 1 1 197.303 1.705 50 0 ADAAMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH+](C)C 4837126 351334682 /nfs/dbraw/zinc/33/46/82/351334682.db2.gz YTSOCSSFMLFCRS-BBBLOLIVSA-N 1 1 170.300 1.277 50 0 ADAAMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH+](C)C 4837128 351334766 /nfs/dbraw/zinc/33/47/66/351334766.db2.gz YTSOCSSFMLFCRS-OPRDCNLKSA-N 1 1 170.300 1.277 50 0 ADAAMO CC(C)C[C@@H]([NH3+])C(=O)OC(C)C 4948447 351335293 /nfs/dbraw/zinc/33/52/93/351335293.db2.gz KDESEECZHLTGMH-MRVPVSSYSA-N 1 1 173.256 1.311 50 0 ADAAMO CC(C)C[C@H]([NH3+])C(=O)OC(C)C 4948444 351335888 /nfs/dbraw/zinc/33/58/88/351335888.db2.gz KDESEECZHLTGMH-QMMMGPOBSA-N 1 1 173.256 1.311 50 0 in-vitro ADAAMO O[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 4988714 351336558 /nfs/dbraw/zinc/33/65/58/351336558.db2.gz LFAHAZYKDALXSI-NWDGAFQWSA-N 1 1 195.306 1.799 50 0 ADAAMO O[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 4988711 351336723 /nfs/dbraw/zinc/33/67/23/351336723.db2.gz LFAHAZYKDALXSI-RYUDHWBXSA-N 1 1 195.306 1.799 50 0 ADAAMO CCSc1nnc([C@H](C)[NH3+])o1 5100836 351337382 /nfs/dbraw/zinc/33/73/82/351337382.db2.gz WMEFLARLDIDZLE-BYPYZUCNSA-N 1 1 173.241 1.201 50 0 ADAAMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CO)C2)C1 5092897 351337615 /nfs/dbraw/zinc/33/76/15/351337615.db2.gz HHZLAGZIXNRKKI-WOPDTQHZSA-N 1 1 197.322 1.879 50 0 ADAAMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CO)C2)C1 5092903 351337945 /nfs/dbraw/zinc/33/79/45/351337945.db2.gz HHZLAGZIXNRKKI-GRYCIOLGSA-N 1 1 197.322 1.879 50 0 ADAAMO O[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 5562171 351345614 /nfs/dbraw/zinc/34/56/14/351345614.db2.gz LFAHAZYKDALXSI-NEPJUHHUSA-N 1 1 195.306 1.799 50 0 ADAAMO CC(C)CNc1[nH+]cccc1N 15774974 351378956 /nfs/dbraw/zinc/37/89/56/351378956.db2.gz ILBOFJASPFHCRY-UHFFFAOYSA-N 1 1 165.240 1.732 50 0 ADAAMO OC[C@H]1CCC[N@H+]1Cc1cccs1 11727369 351360621 /nfs/dbraw/zinc/36/06/21/351360621.db2.gz TWLUJHMOCFRJRG-SECBINFHSA-N 1 1 197.303 1.705 50 0 ADAAMO OC[C@@H]1CCC[N@H+]1Cc1cccs1 11727368 351361028 /nfs/dbraw/zinc/36/10/28/351361028.db2.gz TWLUJHMOCFRJRG-VIFPVBQESA-N 1 1 197.303 1.705 50 0 ADAAMO OC[C@@H]1CCC[N@H+]1Cc1ccco1 11727366 351361358 /nfs/dbraw/zinc/36/13/58/351361358.db2.gz AJMRZGKANCNDIY-VIFPVBQESA-N 1 1 181.235 1.236 50 0 in-vitro ADAAMO OC[C@@H]1CC[N@H+](C2CCCCC2)C1 11892503 351361714 /nfs/dbraw/zinc/36/17/14/351361714.db2.gz UQWOCKWHWBXITR-SNVBAGLBSA-N 1 1 183.295 1.633 50 0 in-vitro ADAAMO OC[C@H]1CC[N@H+](C2CCCC2)C1 11892501 351361911 /nfs/dbraw/zinc/36/19/11/351361911.db2.gz FJFRWUWFQYXXNP-VIFPVBQESA-N 1 1 169.268 1.243 50 0 in-vitro ADAAMO OC[C@H]1CC[N@H+](C2CCCCC2)C1 11892507 351362208 /nfs/dbraw/zinc/36/22/08/351362208.db2.gz UQWOCKWHWBXITR-JTQLQIEISA-N 1 1 183.295 1.633 50 0 in-vitro ADAAMO OC[C@@H]1CC[N@H+](C2CCCC2)C1 11892497 351362342 /nfs/dbraw/zinc/36/23/42/351362342.db2.gz FJFRWUWFQYXXNP-SECBINFHSA-N 1 1 169.268 1.243 50 0 in-vitro ADAAMO O=c1ccc2[nH+]s[nH]c-2c1 12341371 351363581 /nfs/dbraw/zinc/36/35/81/351363581.db2.gz YEAIESZWIBYJPL-UHFFFAOYSA-N 1 1 152.178 1.397 50 0 ADAAMO CC(C)C[N@H+]1CCC[C@H](CO)C1 12382264 351364313 /nfs/dbraw/zinc/36/43/13/351364313.db2.gz YHWDFDPQFYHWRK-JTQLQIEISA-N 1 1 171.284 1.347 50 0 in-vitro ADAAMO CC(C)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 13805171 351372008 /nfs/dbraw/zinc/37/20/08/351372008.db2.gz HPZNNGZRGQPIRY-SDDRHHMPSA-N 1 1 198.354 1.961 50 0 ADAAMO CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 13805165 351372106 /nfs/dbraw/zinc/37/21/06/351372106.db2.gz HPZNNGZRGQPIRY-QJPTWQEYSA-N 1 1 198.354 1.961 50 0 ADAAMO CCOc1cc[nH+]c(C)c1 14491612 351373961 /nfs/dbraw/zinc/37/39/61/351373961.db2.gz DJRLEUGQNBAWDU-UHFFFAOYSA-N 1 1 137.182 1.789 50 0 in-vitro ADAAMO c1ccc2c(c1)[nH+]c1n2CCCN1 14951151 351376042 /nfs/dbraw/zinc/37/60/42/351376042.db2.gz VXWZPLQTNYSOCY-UHFFFAOYSA-N 1 1 173.219 1.678 50 0 ADAAMO CC(C)C[N@H+]1CCC[C@@H](CO)C1 15635486 351379082 /nfs/dbraw/zinc/37/90/82/351379082.db2.gz YHWDFDPQFYHWRK-SNVBAGLBSA-N 1 1 171.284 1.347 50 0 in-vitro ADAAMO OCCC[N@H+]1CCc2ccccc2C1 15635564 351379281 /nfs/dbraw/zinc/37/92/81/351379281.db2.gz QSLXFERGRCSOAH-UHFFFAOYSA-N 1 1 191.274 1.427 50 0 ADAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 16957855 351381512 /nfs/dbraw/zinc/38/15/12/351381512.db2.gz GJVNOZWJECMCHY-SECBINFHSA-N 1 1 196.294 1.139 50 0 ADAAMO Oc1ccc2[nH+]ccn2c1 18555628 351385015 /nfs/dbraw/zinc/38/50/15/351385015.db2.gz YEEIQZOHERKVAK-UHFFFAOYSA-N 1 1 134.138 1.040 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+](C(C)(C)CN)C1 19472286 351391392 /nfs/dbraw/zinc/39/13/92/351391392.db2.gz KOVSIJWAXFLXHK-SECBINFHSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@@H]1C[C@@H](C)C[NH+](C2CCNCC2)C1 19473715 351391418 /nfs/dbraw/zinc/39/14/18/351391418.db2.gz SVXLDJZOZAEIHM-GHMZBOCLSA-N 1 1 196.338 1.716 50 0 in-vitro ADAAMO C[C@@H]1CCCC[N@H+]1CC(N)=S 19486804 351391691 /nfs/dbraw/zinc/39/16/91/351391691.db2.gz DSDUMJBZNKJMIX-SSDOTTSWSA-N 1 1 172.297 1.147 50 0 in-vitro ADAAMO C[C@@H]1CCC[C@](C[NH3+])(N(C)C)C1 19509068 351392298 /nfs/dbraw/zinc/39/22/98/351392298.db2.gz PEUFZDVXZCCLLT-ZJUUUORDSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@@H]1CCC[C@@](C[NH3+])(N(C)C)C1 19509064 351392335 /nfs/dbraw/zinc/39/23/35/351392335.db2.gz PEUFZDVXZCCLLT-NXEZZACHSA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@@H]1CCC[C@@H](C)N1CC[NH3+] 19735204 351394374 /nfs/dbraw/zinc/39/43/74/351394374.db2.gz DQQHMRVHTMHDGE-RKDXNWHRSA-N 1 1 156.273 1.208 50 0 in-vitro ADAAMO CC(C)C[N@H+]1CCCC[C@H]1CN 19843362 351394972 /nfs/dbraw/zinc/39/49/72/351394972.db2.gz GJZHTEIODPUPRD-JTQLQIEISA-N 1 1 170.300 1.456 50 0 ADAAMO CC(C)C[N@H+]1CCCC[C@@H]1CN 19843361 351395665 /nfs/dbraw/zinc/39/56/65/351395665.db2.gz GJZHTEIODPUPRD-SNVBAGLBSA-N 1 1 170.300 1.456 50 0 ADAAMO c1cc([C@@H]2[NH2+]CCS2)ccn1 20247161 351402584 /nfs/dbraw/zinc/40/25/84/351402584.db2.gz BLOGGAJNIGIFFQ-MRVPVSSYSA-N 1 1 166.249 1.417 50 0 in-vitro ADAAMO c1cc([C@H]2[NH2+]CCS2)ccn1 20247158 351403302 /nfs/dbraw/zinc/40/33/02/351403302.db2.gz BLOGGAJNIGIFFQ-QMMMGPOBSA-N 1 1 166.249 1.417 50 0 in-vitro ADAAMO CC[C@@H](C)Nc1[nH+]cccc1N 20278600 351403813 /nfs/dbraw/zinc/40/38/13/351403813.db2.gz XQFFMQOBEOLHPG-SSDOTTSWSA-N 1 1 165.240 1.874 50 0 ADAAMO O=Cc1cc(N2CCCC2)cc[nH+]1 20357647 351403854 /nfs/dbraw/zinc/40/38/54/351403854.db2.gz LLTQGXBIVPBBJI-UHFFFAOYSA-N 1 1 176.219 1.494 50 0 ADAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 20905566 351407022 /nfs/dbraw/zinc/40/70/22/351407022.db2.gz BISRFKSWMGVAPR-SNVBAGLBSA-N 1 1 198.310 1.197 50 0 ADAAMO c1cn2c([nH+]1)CCCCCC2 21294372 351407121 /nfs/dbraw/zinc/40/71/21/351407121.db2.gz ZUKPJWWZCVPDOI-UHFFFAOYSA-N 1 1 150.225 2.000 50 0 ADAAMO c1ccc(-c2cnc3n2CC[NH2+]C3)cc1 21300698 351407181 /nfs/dbraw/zinc/40/71/81/351407181.db2.gz LBNUCZQUHKEDBA-UHFFFAOYSA-N 1 1 199.257 1.653 50 0 in-vitro ADAAMO C[C@@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 21953540 351408455 /nfs/dbraw/zinc/40/84/55/351408455.db2.gz WZVDAEOTVAOPNR-GHMZBOCLSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@@H]1CCC[C@H](N2CC[NH2+]CC2)C1 21953546 351408900 /nfs/dbraw/zinc/40/89/00/351408900.db2.gz WZVDAEOTVAOPNR-MNOVXSKESA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO CCOc1ccc2[nH+]c(N)[nH]c2c1 22130319 351412346 /nfs/dbraw/zinc/41/23/46/351412346.db2.gz NZUORMKRSZZVPM-UHFFFAOYSA-N 1 1 177.207 1.544 50 0 ADAAMO CC(C)=CCN1CC[NH+](C)CC1 22586939 351413509 /nfs/dbraw/zinc/41/35/09/351413509.db2.gz FKQIKTWPJKMUNX-UHFFFAOYSA-N 1 1 168.284 1.200 50 0 ADAAMO c1cncc([C@@H]2[NH2+]CCn3cccc32)c1 23230343 351414443 /nfs/dbraw/zinc/41/44/43/351414443.db2.gz KXMZMHQFHLBPGF-LBPRGKRZSA-N 1 1 199.257 1.576 50 0 in-vitro ADAAMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CO)C2)C1 23280575 351414677 /nfs/dbraw/zinc/41/46/77/351414677.db2.gz HHZLAGZIXNRKKI-IJLUTSLNSA-N 1 1 197.322 1.879 50 0 ADAAMO c1c[nH+]c2c(c1)NCCCN2 23664552 351414790 /nfs/dbraw/zinc/41/47/90/351414790.db2.gz HABVSSGSPKPJIP-UHFFFAOYSA-N 1 1 149.197 1.309 50 0 in-vitro ADAAMO OC[C@H]1CCC[N@@H+](Cc2ccco2)C1 23115156 351414834 /nfs/dbraw/zinc/41/48/34/351414834.db2.gz PEXAAQGGMUZXND-JTQLQIEISA-N 1 1 195.262 1.484 50 0 ADAAMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CO)C2)C1 23280579 351414867 /nfs/dbraw/zinc/41/48/67/351414867.db2.gz HHZLAGZIXNRKKI-UTUOFQBUSA-N 1 1 197.322 1.879 50 0 ADAAMO c1cncc([C@H]2[NH2+]CCn3cccc32)c1 23230340 351415039 /nfs/dbraw/zinc/41/50/39/351415039.db2.gz KXMZMHQFHLBPGF-GFCCVEGCSA-N 1 1 199.257 1.576 50 0 in-vitro ADAAMO c1cc2c(c[nH+]1)CCCO2 24190204 351415931 /nfs/dbraw/zinc/41/59/31/351415931.db2.gz PXFXRVCGZAGBRR-UHFFFAOYSA-N 1 1 135.166 1.407 50 0 in-vitro ADAAMO c1cn2c([nH+]1)CCCCC2 24532963 351417306 /nfs/dbraw/zinc/41/73/06/351417306.db2.gz MBVCARRYXQUTLF-UHFFFAOYSA-N 1 1 136.198 1.610 50 0 ADAAMO c1cncc([C@@H]2[NH2+]CCS2)c1 31391994 351422888 /nfs/dbraw/zinc/42/28/88/351422888.db2.gz SMYGUEYUDFIZCL-MRVPVSSYSA-N 1 1 166.249 1.417 50 0 ADAAMO c1ccc([C@H]2[NH2+]CCS2)nc1 31391998 351422957 /nfs/dbraw/zinc/42/29/57/351422957.db2.gz VQRXHIVVUXYAFH-QMMMGPOBSA-N 1 1 166.249 1.417 50 0 ADAAMO c1ccc([C@@H]2[NH2+]CCS2)nc1 31392002 351423003 /nfs/dbraw/zinc/42/30/03/351423003.db2.gz VQRXHIVVUXYAFH-MRVPVSSYSA-N 1 1 166.249 1.417 50 0 ADAAMO CC(C)([NH3+])CN1CCCCCC1 32445535 351429080 /nfs/dbraw/zinc/42/90/80/351429080.db2.gz IPTQCHXUONPDGI-UHFFFAOYSA-N 1 1 170.300 1.600 50 0 in-vitro ADAAMO CC(C)C[C@@H](C)N1CC[NH2+]CC1 32919440 351430477 /nfs/dbraw/zinc/43/04/77/351430477.db2.gz UAUWDLCUDIOLQP-SNVBAGLBSA-N 1 1 170.300 1.326 50 0 in-vitro ADAAMO c1ccc(CNC2CC[NH2+]CC2)cc1 33506778 351431314 /nfs/dbraw/zinc/43/13/14/351431314.db2.gz HUJYJEPNVYXEND-UHFFFAOYSA-N 1 1 190.290 1.528 50 0 ADAAMO c1cn2c([nH+]1)CCCC2 34060345 351433654 /nfs/dbraw/zinc/43/36/54/351433654.db2.gz PPRGXYWEHFENBY-UHFFFAOYSA-N 1 1 122.171 1.219 50 0 in-vitro ADAAMO c1[nH+]cn2c1CCCC2 34245718 351436718 /nfs/dbraw/zinc/43/67/18/351436718.db2.gz FYDYYNBALSEMHM-UHFFFAOYSA-N 1 1 122.171 1.219 50 0 in-vitro ADAAMO c1cc2c(c[nH+]1)CCO2 34579119 351443251 /nfs/dbraw/zinc/44/32/51/351443251.db2.gz IEOVDQSGJDUASC-UHFFFAOYSA-N 1 1 121.139 1.017 50 0 ADAAMO CC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34679230 351444508 /nfs/dbraw/zinc/44/45/08/351444508.db2.gz UXHLFFAPGDGJKW-RKDXNWHRSA-N 1 1 156.273 1.066 50 0 ADAAMO c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 35392856 351450393 /nfs/dbraw/zinc/45/03/93/351450393.db2.gz LSZMCCGXDXEWJW-UHFFFAOYSA-N 1 1 187.246 1.700 50 0 in-vitro ADAAMO C[C@@H]1CCC2=C1[NH+]=CCN2 36173604 351455790 /nfs/dbraw/zinc/45/57/90/351455790.db2.gz COSMFKAROKURLX-ZCFIWIBFSA-N 1 1 136.198 1.302 50 0 ADAAMO C[C@@H]1CCCc2[nH+]ccn21 36458552 351457721 /nfs/dbraw/zinc/45/77/21/351457721.db2.gz XJNCBRUNUDZBFK-SSDOTTSWSA-N 1 1 136.198 1.780 50 0 in-vitro ADAAMO OCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36827539 351458607 /nfs/dbraw/zinc/45/86/07/351458607.db2.gz QZJYTGZMRMJLJG-MNOVXSKESA-N 1 1 183.295 1.633 50 0 ADAAMO OCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36827537 351458705 /nfs/dbraw/zinc/45/87/05/351458705.db2.gz QZJYTGZMRMJLJG-QWRGUYRKSA-N 1 1 183.295 1.633 50 0 ADAAMO OCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 36827536 351458746 /nfs/dbraw/zinc/45/87/46/351458746.db2.gz QZJYTGZMRMJLJG-WDEREUQCSA-N 1 1 183.295 1.633 50 0 ADAAMO c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 36899958 351459611 /nfs/dbraw/zinc/45/96/11/351459611.db2.gz CEBUOOAEYWDXFN-UHFFFAOYSA-N 1 1 187.246 1.700 50 0 in-vitro ADAAMO CC(C)C[N@H+](C)C1CCNCC1 37108669 351463353 /nfs/dbraw/zinc/46/33/53/351463353.db2.gz CBENZCKGTXTGSH-UHFFFAOYSA-N 1 1 170.300 1.326 50 0 ADAAMO CC(C)C[N@@H+](C)C1CCNCC1 37108669 351463356 /nfs/dbraw/zinc/46/33/56/351463356.db2.gz CBENZCKGTXTGSH-UHFFFAOYSA-N 1 1 170.300 1.326 50 0 ADAAMO CC(C)=CCN1CCC([NH3+])CC1 37118227 351463505 /nfs/dbraw/zinc/46/35/05/351463505.db2.gz PAGWRPSCTUYREK-UHFFFAOYSA-N 1 1 168.284 1.376 50 0 in-vitro ADAAMO CC[N@@H+](C)C[C@@H](O)c1ccccc1 37693839 351471842 /nfs/dbraw/zinc/47/18/42/351471842.db2.gz JXMCLUWWFKYWPR-LLVKDONJSA-N 1 1 179.263 1.672 50 0 ADAAMO CC[N@@H+](C)C[C@H](O)c1ccccc1 37693838 351472134 /nfs/dbraw/zinc/47/21/34/351472134.db2.gz JXMCLUWWFKYWPR-NSHDSACASA-N 1 1 179.263 1.672 50 0 ADAAMO C[C@@H]1CCC[N@@H+]1C1CCNCC1 37911098 351475646 /nfs/dbraw/zinc/47/56/46/351475646.db2.gz WYSNSNBDMIDQDR-SECBINFHSA-N 1 1 168.284 1.223 50 0 ADAAMO C[C@@H]1CCC[N@H+]1C1CCNCC1 37911098 351475649 /nfs/dbraw/zinc/47/56/49/351475649.db2.gz WYSNSNBDMIDQDR-SECBINFHSA-N 1 1 168.284 1.223 50 0 ADAAMO OC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 38343308 351480966 /nfs/dbraw/zinc/48/09/66/351480966.db2.gz VHAPTJVFPQQDNF-ZACCUICWSA-N 1 1 181.279 1.384 50 0 in-vitro ADAAMO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1 38545442 351481893 /nfs/dbraw/zinc/48/18/93/351481893.db2.gz GBEIREVJIUGSDR-KOLCDFICSA-N 1 1 176.263 1.309 50 0 ADAAMO CC(C)C[N@H+]1CCC[C@@H]1CN 38665875 351483343 /nfs/dbraw/zinc/48/33/43/351483343.db2.gz NLURJNHWDOYZEK-SECBINFHSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO CC(C)C[C@H]([NH3+])CN1CCCC1 39140988 351496593 /nfs/dbraw/zinc/49/65/93/351496593.db2.gz JPCJGXMPQZCGAJ-JTQLQIEISA-N 1 1 170.300 1.456 50 0 in-vitro ADAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 39203211 351498031 /nfs/dbraw/zinc/49/80/31/351498031.db2.gz IZIHKVIKLYFELH-LLVKDONJSA-N 1 1 191.274 1.907 50 0 ADAAMO CC(C)C[C@H]1C[N@H+]2CCC[C@@H]2CN1 39326113 351501126 /nfs/dbraw/zinc/50/11/26/351501126.db2.gz CLNMUPYECOXNEZ-WDEREUQCSA-N 1 1 182.311 1.469 50 0 ADAAMO CCOc1ccc(N)[nH+]c1C 39321720 351501246 /nfs/dbraw/zinc/50/12/46/351501246.db2.gz BATUATIMONERQY-UHFFFAOYSA-N 1 1 152.197 1.371 50 0 in-vitro ADAAMO C[C@@H](c1cccs1)[N@@H+](C)CC(N)=O 40013673 351504419 /nfs/dbraw/zinc/50/44/19/351504419.db2.gz QNEQJUHCEGTBCS-ZETCQYMHSA-N 1 1 198.291 1.226 50 0 ADAAMO C[C@@H]1CCCC[N@H+]1CC(C)(C)N 39958222 351504235 /nfs/dbraw/zinc/50/42/35/351504235.db2.gz FRAJFMOTJCQVOA-SECBINFHSA-N 1 1 170.300 1.598 50 0 in-vitro ADAAMO C[C@@H]1CCCCN1CC(C)(C)[NH3+] 39958222 351504237 /nfs/dbraw/zinc/50/42/37/351504237.db2.gz FRAJFMOTJCQVOA-SECBINFHSA-N 1 1 170.300 1.598 50 0 in-vitro ADAAMO C[C@@H](c1cccs1)[N@H+](C)CC(N)=O 40013673 351504413 /nfs/dbraw/zinc/50/44/13/351504413.db2.gz QNEQJUHCEGTBCS-ZETCQYMHSA-N 1 1 198.291 1.226 50 0 ADAAMO CC[C@@H](C)NCC[NH2+]C(C)C 39712264 351504632 /nfs/dbraw/zinc/50/46/32/351504632.db2.gz VELKVXYYFGKWRG-SECBINFHSA-N 1 1 158.289 1.373 50 0 ADAAMO C[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 39958224 351504873 /nfs/dbraw/zinc/50/48/73/351504873.db2.gz UNXLSDHBHSJGNF-SECBINFHSA-N 1 1 170.300 1.456 50 0 ADAAMO C[C@@H]1CCCN(CC(C)(C)[NH3+])C1 39958224 351504875 /nfs/dbraw/zinc/50/48/75/351504875.db2.gz UNXLSDHBHSJGNF-SECBINFHSA-N 1 1 170.300 1.456 50 0 ADAAMO C[C@@H](c1ccccc1)[C@@H](N)C[NH3+] 40240814 351505599 /nfs/dbraw/zinc/50/55/99/351505599.db2.gz FXLVGPWSHAUWFU-WPRPVWTQSA-N 1 1 164.252 1.076 50 0 ADAAMO CC(C)[N@@H+](C)[C@@H]1CCC[C@H]1O 40457238 351507468 /nfs/dbraw/zinc/50/74/68/351507468.db2.gz QICMHIXVJKONJL-RKDXNWHRSA-N 1 1 157.257 1.240 50 0 ADAAMO CCC[N@@H+](CC)[C@@H]1CCC[C@H]1O 40457239 351507733 /nfs/dbraw/zinc/50/77/33/351507733.db2.gz GNIKGZQDOPEAGI-NXEZZACHSA-N 1 1 171.284 1.632 50 0 ADAAMO c1ccc(CNCc2c[nH]nn2)cc1 41050775 351514867 /nfs/dbraw/zinc/51/48/67/351514867.db2.gz XCKLTJZKOQETJR-UHFFFAOYSA-N 1 1 188.234 1.095 50 0 ADAAMO C[C@@H]1CNCC[N@H+]1C1CCCC1 41168204 351516972 /nfs/dbraw/zinc/51/69/72/351516972.db2.gz ASZIXIGBMYHICX-SECBINFHSA-N 1 1 168.284 1.223 50 0 ADAAMO C[C@@H]1C[NH2+]CCN1C1CCCC1 41168204 351516975 /nfs/dbraw/zinc/51/69/75/351516975.db2.gz ASZIXIGBMYHICX-SECBINFHSA-N 1 1 168.284 1.223 50 0 ADAAMO CC[C@@H](C)[N@H+]1CCNC[C@@H]1C 41167317 351517222 /nfs/dbraw/zinc/51/72/22/351517222.db2.gz LFQMHTLYWHHVFZ-BDAKNGLRSA-N 1 1 156.273 1.079 50 0 ADAAMO CC[C@@H](C)N1CC[NH2+]C[C@@H]1C 41167317 351517226 /nfs/dbraw/zinc/51/72/26/351517226.db2.gz LFQMHTLYWHHVFZ-BDAKNGLRSA-N 1 1 156.273 1.079 50 0 ADAAMO OC[C@H]1CC[N@H+]1Cc1ccccc1 44185024 351536441 /nfs/dbraw/zinc/53/64/41/351536441.db2.gz RPRDXAKZYYOKSG-LLVKDONJSA-N 1 1 177.247 1.253 50 0 in-vitro ADAAMO OC[C@@H]1CC[N@H+]1Cc1ccccc1 44185028 351536505 /nfs/dbraw/zinc/53/65/05/351536505.db2.gz RPRDXAKZYYOKSG-NSHDSACASA-N 1 1 177.247 1.253 50 0 in-vitro ADAAMO Cc1nnc(C[N@H+]2CCCC[C@@H]2C)o1 48343995 351545399 /nfs/dbraw/zinc/54/53/99/351545399.db2.gz VSBDXGGKWNBICL-QMMMGPOBSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1nnc(C[N@@H+]2CCCC[C@@H]2C)o1 48343995 351545404 /nfs/dbraw/zinc/54/54/04/351545404.db2.gz VSBDXGGKWNBICL-QMMMGPOBSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1nnc(C[N@H+]2CCCC[C@H]2C)o1 48343996 351545489 /nfs/dbraw/zinc/54/54/89/351545489.db2.gz VSBDXGGKWNBICL-MRVPVSSYSA-N 1 1 195.266 1.752 50 0 ADAAMO Cc1nnc(C[N@@H+]2CCCC[C@H]2C)o1 48343996 351545492 /nfs/dbraw/zinc/54/54/92/351545492.db2.gz VSBDXGGKWNBICL-MRVPVSSYSA-N 1 1 195.266 1.752 50 0 ADAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCC1=O 49693394 351548867 /nfs/dbraw/zinc/54/88/67/351548867.db2.gz HDGVSLAEBSMFSD-ZJUUUORDSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1=O 49693394 351548869 /nfs/dbraw/zinc/54/88/69/351548869.db2.gz HDGVSLAEBSMFSD-ZJUUUORDSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@H]1C[N@H+](C[C@@H]2CCCO2)CCC1=O 49693395 351549088 /nfs/dbraw/zinc/54/90/88/351549088.db2.gz HDGVSLAEBSMFSD-UWVGGRQHSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1=O 49693395 351549092 /nfs/dbraw/zinc/54/90/92/351549092.db2.gz HDGVSLAEBSMFSD-UWVGGRQHSA-N 1 1 197.278 1.076 50 0 ADAAMO CC(C)C[N@H+]1CCC[C@H](O)C1 49934090 351550722 /nfs/dbraw/zinc/55/07/22/351550722.db2.gz RQNTUABQBSMZDQ-VIFPVBQESA-N 1 1 157.257 1.099 50 0 ADAAMO CC(C)C[N@H+]1CCC[C@@H](O)C1 49934091 351550783 /nfs/dbraw/zinc/55/07/83/351550783.db2.gz RQNTUABQBSMZDQ-SECBINFHSA-N 1 1 157.257 1.099 50 0 ADAAMO C[C@@H]1CNCC[N@H+](C2CCC2)C1 52213796 351564872 /nfs/dbraw/zinc/56/48/72/351564872.db2.gz NWDAHVJVGDJIDT-SECBINFHSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO C[C@@H]1C[NH2+]CCN(C2CCC2)C1 52213796 351564876 /nfs/dbraw/zinc/56/48/76/351564876.db2.gz NWDAHVJVGDJIDT-SECBINFHSA-N 1 1 168.284 1.080 50 0 in-vitro ADAAMO CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C 57653017 351579891 /nfs/dbraw/zinc/57/98/91/351579891.db2.gz HPZNNGZRGQPIRY-IJLUTSLNSA-N 1 1 198.354 1.961 50 0 ADAAMO C[C@@H]1COCC[N@H+]1Cc1ccccc1 58210011 351579973 /nfs/dbraw/zinc/57/99/73/351579973.db2.gz GXNBKAFYCHTQPI-LLVKDONJSA-N 1 1 191.274 1.907 50 0 ADAAMO CC(C)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C 57653020 351580266 /nfs/dbraw/zinc/58/02/66/351580266.db2.gz HPZNNGZRGQPIRY-GRYCIOLGSA-N 1 1 198.354 1.961 50 0 ADAAMO c1ccc(-c2cn3c(n2)C[NH2+]CC3)cc1 62605637 351588401 /nfs/dbraw/zinc/58/84/01/351588401.db2.gz NKCGDURSSXFSLH-UHFFFAOYSA-N 1 1 199.257 1.653 50 0 in-vitro ADAAMO CC[C@@H](C)c1cn2c(n1)C[NH2+]CC2 62605475 351588607 /nfs/dbraw/zinc/58/86/07/351588607.db2.gz GWRBFKVBWGHZAB-MRVPVSSYSA-N 1 1 179.267 1.500 50 0 ADAAMO c1c[nH+]c(C2CCC2)[nH]1 66055004 351593467 /nfs/dbraw/zinc/59/34/67/351593467.db2.gz CNOAXNNBTQYBCJ-UHFFFAOYSA-N 1 1 122.171 1.677 50 0 in-vitro ADAAMO O=Cc1ccnn1-c1cc[nH+]cc1 72190456 351615223 /nfs/dbraw/zinc/61/52/23/351615223.db2.gz DSRIYUOMEQRVGT-UHFFFAOYSA-N 1 1 173.175 1.080 50 0 in-vitro ADAAMO C[C@@H]1Cc2ccc[nH+]c2N1 72231247 351617585 /nfs/dbraw/zinc/61/75/85/351617585.db2.gz KZZRMJZSXZUPRA-ZCFIWIBFSA-N 1 1 134.182 1.438 50 0 ADAAMO C[C@@H]1Nc2[nH+]cccc2N[C@@H]1C 75156697 351624108 /nfs/dbraw/zinc/62/41/08/351624108.db2.gz SMZWRKUMQQSCCM-RQJHMYQMSA-N 1 1 163.224 1.696 50 0 ADAAMO C[C@@H]1Nc2ccc[nH+]c2N[C@@H]1C 75156700 351624376 /nfs/dbraw/zinc/62/43/76/351624376.db2.gz SMZWRKUMQQSCCM-NKWVEPMBSA-N 1 1 163.224 1.696 50 0 ADAAMO C[C@@H]1Nc2ccc[nH+]c2N[C@H]1C 75156698 351624427 /nfs/dbraw/zinc/62/44/27/351624427.db2.gz SMZWRKUMQQSCCM-BQBZGAKWSA-N 1 1 163.224 1.696 50 0 ADAAMO C[N@H+]1CCNCC12CCCCC2 78461378 351627578 /nfs/dbraw/zinc/62/75/78/351627578.db2.gz JEULWRNDCDRAIW-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 ADAAMO CN1CC[NH2+]CC12CCCCC2 78461378 351627582 /nfs/dbraw/zinc/62/75/82/351627582.db2.gz JEULWRNDCDRAIW-UHFFFAOYSA-N 1 1 168.284 1.224 50 0 ADAAMO C[C@@H]1CCC[N@@H+](CC2(O)CCC2)C1 79096553 351629903 /nfs/dbraw/zinc/62/99/03/351629903.db2.gz SQOKSWCHFTVDML-SNVBAGLBSA-N 1 1 183.295 1.633 50 0 ADAAMO c1ccc2c([C@H]3CCC[NH2+]3)n[nH]c2c1 82879744 351642275 /nfs/dbraw/zinc/64/22/75/351642275.db2.gz BKBVZZVPPRQSJA-SNVBAGLBSA-N 1 1 187.246 1.987 50 0 ADAAMO c1ccc2c([C@@H]3CCC[NH2+]3)n[nH]c2c1 82879742 351642658 /nfs/dbraw/zinc/64/26/58/351642658.db2.gz BKBVZZVPPRQSJA-JTQLQIEISA-N 1 1 187.246 1.987 50 0 ADAAMO [NH3+]CC(=O)c1ccc(Cl)cc1F 83553795 351647059 /nfs/dbraw/zinc/64/70/59/351647059.db2.gz QRDDYVFSSDUCHS-UHFFFAOYSA-N 1 1 187.601 1.621 50 0 in-vitro ADAAMO CC[C@@H](C)[NH2+][C@H](CN)c1ccco1 83760947 351647676 /nfs/dbraw/zinc/64/76/76/351647676.db2.gz PPVANSNFHRGNHM-RKDXNWHRSA-N 1 1 182.267 1.668 50 0 in-vitro ADAAMO CC[C@@H](C)[NH2+][C@@H](CN)c1ccco1 83760942 351647706 /nfs/dbraw/zinc/64/77/06/351647706.db2.gz PPVANSNFHRGNHM-BDAKNGLRSA-N 1 1 182.267 1.668 50 0 in-vitro ADAAMO C[N@H+]1CCC(=O)CC1(C)C 83962145 351648813 /nfs/dbraw/zinc/64/88/13/351648813.db2.gz DNPNNOWIJPCHMA-UHFFFAOYSA-N 1 1 141.214 1.060 50 0 ADAAMO c1csc([C@H]2CSCC[NH2+]2)n1 84347329 351650458 /nfs/dbraw/zinc/65/04/58/351650458.db2.gz HPKMLARIOKMSDQ-ZCFIWIBFSA-N 1 1 186.305 1.521 50 0 in-vitro ADAAMO c1csc([C@@H]2CSCC[NH2+]2)n1 84347326 351650921 /nfs/dbraw/zinc/65/09/21/351650921.db2.gz HPKMLARIOKMSDQ-LURJTMIESA-N 1 1 186.305 1.521 50 0 in-vitro ADAAMO CCN(CC)CC([NH3+])(CC)CC 86814246 351655899 /nfs/dbraw/zinc/65/58/99/351655899.db2.gz YIFNKVIYRJKUSV-UHFFFAOYSA-N 1 1 172.316 1.846 50 0 ADAAMO C[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2)C1 87876311 351660544 /nfs/dbraw/zinc/66/05/44/351660544.db2.gz CJWRVRINIMDENH-GHMZBOCLSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+]([C@@H]2CCCNC2)C1 87876311 351660547 /nfs/dbraw/zinc/66/05/47/351660547.db2.gz CJWRVRINIMDENH-GHMZBOCLSA-N 1 1 182.311 1.470 50 0 in-vitro ADAAMO [NH3+]C1(CN2CCCCC2)CCC1 88051674 351660861 /nfs/dbraw/zinc/66/08/61/351660861.db2.gz MFJHHEUWMWYMIR-UHFFFAOYSA-N 1 1 168.284 1.354 50 0 ADAAMO NC1(C[NH+]2CCCCC2)CCC1 88051674 351660862 /nfs/dbraw/zinc/66/08/62/351660862.db2.gz MFJHHEUWMWYMIR-UHFFFAOYSA-N 1 1 168.284 1.354 50 0 ADAAMO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCNC1 87876309 351660891 /nfs/dbraw/zinc/66/08/91/351660891.db2.gz XLGDVRUTJTXZGE-GHMZBOCLSA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCNC1 87876309 351660896 /nfs/dbraw/zinc/66/08/96/351660896.db2.gz XLGDVRUTJTXZGE-GHMZBOCLSA-N 1 1 182.311 1.613 50 0 ADAAMO CCSCC[N@@H+](C)[C@H](C)CO 89275257 351664265 /nfs/dbraw/zinc/66/42/65/351664265.db2.gz VVUQDKDOYOQRHB-MRVPVSSYSA-N 1 1 177.313 1.052 50 0 ADAAMO C[C@@H]1CC[NH2+]CC1(F)F 95348220 351669830 /nfs/dbraw/zinc/66/98/30/351669830.db2.gz MVQKDOYPBRWCRW-RXMQYKEDSA-N 1 1 135.157 1.251 50 0 in-vitro ADAAMO c1nc([C@@H]2CCCCC[NH2+]2)no1 95348271 351670217 /nfs/dbraw/zinc/67/02/17/351670217.db2.gz PARYBDOLVNBMAW-ZETCQYMHSA-N 1 1 167.212 1.274 50 0 in-vitro ADAAMO c1nc([C@H]2CCCCC[NH2+]2)no1 95348272 351670474 /nfs/dbraw/zinc/67/04/74/351670474.db2.gz PARYBDOLVNBMAW-SSDOTTSWSA-N 1 1 167.212 1.274 50 0 in-vitro ADAAMO O[NH+]1C2CC3CC(C2)CC1C3 96024137 351678446 /nfs/dbraw/zinc/67/84/46/351678446.db2.gz SFXINVPZIZMFHM-UHFFFAOYSA-N 1 1 153.225 1.639 50 0 in-vitro ADAAMO C[C@@H]1C[N@@H+](C)C(C)(C)C[C@H]1O 96372349 351680688 /nfs/dbraw/zinc/68/06/88/351680688.db2.gz VCTKUJRILCIKDW-HTQZYQBOSA-N 1 1 157.257 1.098 50 0 ADAAMO C[C@@H]1CCCC[N@@H+]1C1CCNCC1 96319818 351680863 /nfs/dbraw/zinc/68/08/63/351680863.db2.gz ZXUICRDVIUWNIY-SNVBAGLBSA-N 1 1 182.311 1.613 50 0 in-vitro ADAAMO C[C@@H]1CCCC[N@H+]1C1CCNCC1 96319818 351680866 /nfs/dbraw/zinc/68/08/66/351680866.db2.gz ZXUICRDVIUWNIY-SNVBAGLBSA-N 1 1 182.311 1.613 50 0 in-vitro ADAAMO C[C@@H]1Cc2[nH]c[nH+]c2C[C@H]1C 116320344 351724850 /nfs/dbraw/zinc/72/48/50/351724850.db2.gz DGMYJUWVCRQEJV-RNFRBKRXSA-N 1 1 150.225 1.781 50 0 ADAAMO c1c[nH+]c(C2CCOCC2)[nH]1 116936461 351725724 /nfs/dbraw/zinc/72/57/24/351725724.db2.gz TVMWYYYSKTWBPB-UHFFFAOYSA-N 1 1 152.197 1.304 50 0 in-vitro ADAAMO CC(C)CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 128868776 351734158 /nfs/dbraw/zinc/73/41/58/351734158.db2.gz XMCDUBXERYSHNR-NEPJUHHUSA-N 1 1 196.338 1.716 50 0 ADAAMO CC[C@@H](C)[N@H+]1CCNC[C@H]1C 135081317 351738736 /nfs/dbraw/zinc/73/87/36/351738736.db2.gz LFQMHTLYWHHVFZ-RKDXNWHRSA-N 1 1 156.273 1.079 50 0 ADAAMO CC[C@@H](C)N1CC[NH2+]C[C@H]1C 135081317 351738738 /nfs/dbraw/zinc/73/87/38/351738738.db2.gz LFQMHTLYWHHVFZ-RKDXNWHRSA-N 1 1 156.273 1.079 50 0 ADAAMO OC[C@H]1CC[N@H+]1C1CCCCC1 143235434 351746591 /nfs/dbraw/zinc/74/65/91/351746591.db2.gz ZGFZFNXAXDGQGF-SNVBAGLBSA-N 1 1 169.268 1.386 50 0 ADAAMO OC[C@@H]1CC[N@H+]1C1CCCCC1 143235675 351746717 /nfs/dbraw/zinc/74/67/17/351746717.db2.gz ZGFZFNXAXDGQGF-JTQLQIEISA-N 1 1 169.268 1.386 50 0 ADAAMO Nc1[nH+]cccc1C1CCC1 163084809 351761665 /nfs/dbraw/zinc/76/16/65/351761665.db2.gz IAEJSRLSOROORZ-UHFFFAOYSA-N 1 1 148.209 1.931 50 0 ADAAMO C[C@@H]1CCC[N@H+]([C@H](C)CN)C1 169616151 351770136 /nfs/dbraw/zinc/77/01/36/351770136.db2.gz UZMIFBCNBIXTAN-RKDXNWHRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H]1CCCN([C@H](C)C[NH3+])C1 169616151 351770140 /nfs/dbraw/zinc/77/01/40/351770140.db2.gz UZMIFBCNBIXTAN-RKDXNWHRSA-N 1 1 156.273 1.066 50 0 in-vitro ADAAMO C[C@@H]1CCC[N@H+]([C@H](C)CO)C1 215633517 351786564 /nfs/dbraw/zinc/78/65/64/351786564.db2.gz IVFMCLNSQCOKJU-RKDXNWHRSA-N 1 1 157.257 1.099 50 0 in-vitro ADAAMO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)CN)C1 216064746 351787530 /nfs/dbraw/zinc/78/75/30/351787530.db2.gz WGEAIYISKQEKLT-KXUCPTDWSA-N 1 1 170.300 1.312 50 0 ADAAMO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)C2 216333799 351787788 /nfs/dbraw/zinc/78/77/88/351787788.db2.gz WAYNFUALTYDWRJ-VXGBXAGGSA-N 1 1 189.258 1.253 50 0 ADAAMO C[C@@H]1CCC[N@H+]([C@H]2C[C@@H](C)OC2=O)C1 229710797 351809437 /nfs/dbraw/zinc/80/94/37/351809437.db2.gz QJXFTROFYOAUJY-BBBLOLIVSA-N 1 1 197.278 1.422 50 0 ADAAMO C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)OC2=O)C1 229710789 351809784 /nfs/dbraw/zinc/80/97/84/351809784.db2.gz QJXFTROFYOAUJY-OPRDCNLKSA-N 1 1 197.278 1.422 50 0 ADAAMO [NH3+]Cc1c(F)ccc2nc[nH]c12 238606970 351822728 /nfs/dbraw/zinc/82/27/28/351822728.db2.gz XQHFJVABZMPAPQ-UHFFFAOYSA-N 1 1 165.171 1.161 50 0 ADAAMO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CCC1=O 238852697 351825076 /nfs/dbraw/zinc/82/50/76/351825076.db2.gz HDGVSLAEBSMFSD-NXEZZACHSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCC1=O 238852697 351825080 /nfs/dbraw/zinc/82/50/80/351825080.db2.gz HDGVSLAEBSMFSD-NXEZZACHSA-N 1 1 197.278 1.076 50 0 ADAAMO C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[NH2+]C1 238855160 351825863 /nfs/dbraw/zinc/82/58/63/351825863.db2.gz QQRILNLFDBBTQQ-MXWKQRLJSA-N 1 1 182.311 1.611 50 0 ADAAMO C[C@@H]1CCCC[N@@H+]1[C@H]1CCCNC1 248095323 351830723 /nfs/dbraw/zinc/83/07/23/351830723.db2.gz XLGDVRUTJTXZGE-MNOVXSKESA-N 1 1 182.311 1.613 50 0 ADAAMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCNC1 248095323 351830728 /nfs/dbraw/zinc/83/07/28/351830728.db2.gz XLGDVRUTJTXZGE-MNOVXSKESA-N 1 1 182.311 1.613 50 0 ADAAMO CC[N@H+]1CC[C@@H](C)C[C@H]1CN 250198571 351831314 /nfs/dbraw/zinc/83/13/14/351831314.db2.gz BCOKJOFWSIYDFK-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 ADAAMO CCN1CC[C@@H](C)C[C@H]1C[NH3+] 250198571 351831316 /nfs/dbraw/zinc/83/13/16/351831316.db2.gz BCOKJOFWSIYDFK-BDAKNGLRSA-N 1 1 156.273 1.066 50 0 ADAAMO FC1(F)CNCC[C@@H]1[NH+]1CCCC1 306876995 351971104 /nfs/dbraw/zinc/97/11/04/351971104.db2.gz DFUZOBULEGIJLU-QMMMGPOBSA-N 1 1 190.237 1.079 50 0 ADAAMO FC1(F)CNCC[C@H]1[NH+]1CCCC1 306876994 351971165 /nfs/dbraw/zinc/97/11/65/351971165.db2.gz DFUZOBULEGIJLU-MRVPVSSYSA-N 1 1 190.237 1.079 50 0 ADAAMO C[C@@H]1CCC[C@@H](CCN(C)C)[NH2+]1 307335170 352004053 /nfs/dbraw/zinc/00/40/53/352004053.db2.gz CFQFKQJQJSLRMN-ZJUUUORDSA-N 1 1 170.300 1.469 50 0 ADAAMO F[C@H]1C[NH2+]CC[C@H]1N1CCCCC1 575499013 352398339 /nfs/dbraw/zinc/39/83/39/352398339.db2.gz PPNYOPTVJSKOPB-VHSXEESVSA-N 1 1 186.274 1.172 50 0 ADAAMO NCC[N@H+]1CCCC2(CC1)CC2 575581108 352780193 /nfs/dbraw/zinc/78/01/93/352780193.db2.gz JTUADLBXCQXPAX-UHFFFAOYSA-N 1 1 168.284 1.211 50 0 ADAAMO [NH3+]CCN1CCCC2(CC1)CC2 575581108 352780194 /nfs/dbraw/zinc/78/01/94/352780194.db2.gz JTUADLBXCQXPAX-UHFFFAOYSA-N 1 1 168.284 1.211 50 0 ADAAMO C[N@@H+]1CC(C)(C)CC[C@H]1CN 575595043 352852251 /nfs/dbraw/zinc/85/22/51/352852251.db2.gz SRVTUEVPWVXHLB-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 ADAAMO C[N@H+]1CC(C)(C)CC[C@H]1CN 575595043 352852253 /nfs/dbraw/zinc/85/22/53/352852253.db2.gz SRVTUEVPWVXHLB-QMMMGPOBSA-N 1 1 156.273 1.066 50 0 ADAAMO C[N@@H+]1CC(C)(C)CC[C@@H]1CN 575595042 352852350 /nfs/dbraw/zinc/85/23/50/352852350.db2.gz SRVTUEVPWVXHLB-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 ADAAMO C[N@H+]1CC(C)(C)CC[C@@H]1CN 575595042 352852352 /nfs/dbraw/zinc/85/23/52/352852352.db2.gz SRVTUEVPWVXHLB-MRVPVSSYSA-N 1 1 156.273 1.066 50 0 ADAAMO Cc1cc[nH+]c(C)c1N 16124884 371622373 /nfs/dbraw/zinc/62/23/73/371622373.db2.gz FSYHJEBPLDNXAM-UHFFFAOYSA-N 1 1 122.171 1.281 50 0 in-vitro ADAAMO C[C@@H]1CC[C@H]([N@@H+](C)CCN(C)C)C1 19642233 371628126 /nfs/dbraw/zinc/62/81/26/371628126.db2.gz DLTSRPPQOXORJH-MNOVXSKESA-N 1 1 184.327 1.668 50 0 ADAAMO C[C@@H]1CC[C@@H]([N@@H+](C)CCN(C)C)C1 19642222 371628742 /nfs/dbraw/zinc/62/87/42/371628742.db2.gz DLTSRPPQOXORJH-GHMZBOCLSA-N 1 1 184.327 1.668 50 0 ADAAMO CC(C)([NH3+])CN1CCCCC1 32445505 371631908 /nfs/dbraw/zinc/63/19/08/371631908.db2.gz IMBNEKOMEDCTCL-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO CC(C)(N)C[NH+]1CCCCC1 32445505 371631912 /nfs/dbraw/zinc/63/19/12/371631912.db2.gz IMBNEKOMEDCTCL-UHFFFAOYSA-N 1 1 156.273 1.210 50 0 in-vitro ADAAMO C[C@@H]1C[N@@H+](C)CCC1(F)F 85650639 371651471 /nfs/dbraw/zinc/65/14/71/371651471.db2.gz TXGUJJOFIVGZFB-ZCFIWIBFSA-N 1 1 149.184 1.593 50 0 ADAAMO C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 100870915 371660971 /nfs/dbraw/zinc/66/09/71/371660971.db2.gz RITANGGXLSWSNG-DTWKUNHWSA-N 1 1 167.252 1.450 50 0 ADAAMO O[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 219618844 371715160 /nfs/dbraw/zinc/71/51/60/371715160.db2.gz LFAHAZYKDALXSI-VXGBXAGGSA-N 1 1 195.306 1.799 50 0 ADAAMO CCOC(=[NH2+])CSC 54496906 375304163 /nfs/dbraw/zinc/30/41/63/375304163.db2.gz GUTOZQAJWAALDO-UHFFFAOYSA-N 1 1 133.216 1.363 50 0 ADAAMO Cc1[nH+]ccn1C[C@H]1CCOC1 70162757 375322329 /nfs/dbraw/zinc/32/23/29/375322329.db2.gz CAUQMRMOVYZAPO-SECBINFHSA-N 1 1 166.224 1.228 50 0 ADAAMO CCc1[nH+]ccn1C[C@H]1CCOC1 82615378 375365943 /nfs/dbraw/zinc/36/59/43/375365943.db2.gz LEWLOBZKCPTYKS-SECBINFHSA-N 1 1 180.251 1.482 50 0 ADAAMO CCc1[nH+]ccn1C[C@@H]1CCOC1 82615377 375366161 /nfs/dbraw/zinc/36/61/61/375366161.db2.gz LEWLOBZKCPTYKS-VIFPVBQESA-N 1 1 180.251 1.482 50 0 ADAAMO OCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 83890151 375384506 /nfs/dbraw/zinc/38/45/06/375384506.db2.gz FFOIUAXLLWVOGV-SSDOTTSWSA-N 1 1 197.200 1.253 50 0 ADAAMO OCC[N@H+]1CCC[C@H](C(F)(F)F)C1 83890150 375384630 /nfs/dbraw/zinc/38/46/30/375384630.db2.gz FFOIUAXLLWVOGV-ZETCQYMHSA-N 1 1 197.200 1.253 50 0 ADAAMO C[N@H+]1CC[C@](C)(O)[C@@H]2CCCC[C@H]21 215985180 375416770 /nfs/dbraw/zinc/41/67/70/375416770.db2.gz OFUROGGOSSXCBF-MXWKQRLJSA-N 1 1 183.295 1.632 50 0 ADAAMO CCC[N@H+](CC(=O)NCC)CC1CC1 48374191 409368458 /nfs/dbraw/zinc/36/84/58/409368458.db2.gz CXWCANAYHLRVAP-UHFFFAOYSA-N 1 1 198.310 1.245 50 0 ADAAMO CC(C)C[N@@H+](C)CC(C)(C)CO 51292912 409381871 /nfs/dbraw/zinc/38/18/71/409381871.db2.gz DXNNEOCXYCTUQF-UHFFFAOYSA-N 1 1 173.300 1.593 50 0 ADAAMO Cc1nc(C2C=CC=CC2=[NH2+])no1 102567615 409448970 /nfs/dbraw/zinc/44/89/70/409448970.db2.gz KXQOTPGRDKHBNV-FWMMZFIKSA-N 1 1 175.191 1.297 50 0 ADAAMO Cc1nc(Cn2cc[nH+]c2C)co1 657255703 409462835 /nfs/dbraw/zinc/46/28/35/409462835.db2.gz QCLDHVYOMUKENC-UHFFFAOYSA-N 1 1 177.207 1.536 50 0 ADAAMO C[Si](C)(C)C[N@H+]1CCC[C@H]1CN 401701375 573984287 /nfs/dbraw/zinc/98/42/87/573984287.db2.gz ZRRYXCIPRFOJCJ-VIFPVBQESA-N 1 1 186.375 1.287 50 0 ADAAMO [NH3+]C1CC(NCc2ccccc2)C1 87651045 573995467 /nfs/dbraw/zinc/99/54/67/573995467.db2.gz WEYXNJCVDOXKAR-UHFFFAOYSA-N 1 1 176.263 1.266 50 0 ADAAMO CC[NH+](CC)Cc1csc(N)n1 9118008 520763002 /nfs/dbraw/zinc/76/30/02/520763002.db2.gz DKOQMAIYIUCEEJ-UHFFFAOYSA-N 1 1 185.296 1.567 50 0 ADAAMO CCCC[N@@H+](C)[C@H]1CN2CCC1CC2 22027732 629733529 /nfs/dbraw/zinc/73/35/29/629733529.db2.gz YZTFLIRYRFFJMY-LBPRGKRZSA-N 1 1 196.338 1.813 50 0 ADAAMO CCCC[N@@H+](C)[C@@H]1CN2CCC1CC2 22027734 629738148 /nfs/dbraw/zinc/73/81/48/629738148.db2.gz YZTFLIRYRFFJMY-GFCCVEGCSA-N 1 1 196.338 1.813 50 0 ADAAMO CC1CCN(c2cc(N)[nH+]cn2)CC1 72192626 521036994 /nfs/dbraw/zinc/03/69/94/521036994.db2.gz WHIMDZMLOFUDCF-UHFFFAOYSA-N 1 1 192.266 1.295 50 0 ADAAMO CC[N@H+]1C[C@@H](C)C(=O)C[C@H]1C 249692827 521726676 /nfs/dbraw/zinc/72/66/76/521726676.db2.gz NIJTYYIKYWTEQR-HTQZYQBOSA-N 1 1 155.241 1.306 50 0 ADAAMO CC[N@H+]1C[C@H](C)C(=O)C[C@H]1C 249693028 521728691 /nfs/dbraw/zinc/72/86/91/521728691.db2.gz NIJTYYIKYWTEQR-JGVFFNPUSA-N 1 1 155.241 1.306 50 0 ADAAMO CC[C@]1(O)C[C@@H](C)[N@@H+](C)C[C@H]1C 239433079 523627945 /nfs/dbraw/zinc/62/79/45/523627945.db2.gz XEOCATJPKSQIPI-BBBLOLIVSA-N 1 1 171.284 1.488 50 0 ADAAMO CC[C@]1(O)C[C@H](C)[N@@H+](C)C[C@H]1C 239433080 523628956 /nfs/dbraw/zinc/62/89/56/523628956.db2.gz XEOCATJPKSQIPI-UTLUCORTSA-N 1 1 171.284 1.488 50 0 ADAAMO Cc1ccc([C@H](N)C[NH+](C)C)cc1 19821186 630021152 /nfs/dbraw/zinc/02/11/52/630021152.db2.gz SQKFDJYYIBKNGD-LLVKDONJSA-N 1 1 178.279 1.556 50 0 ADAAMO COC(=O)[C@H]1CCC[C@H](C(C)(C)C)[NH2+]1 950757405 630211040 /nfs/dbraw/zinc/21/10/40/630211040.db2.gz ZIJLSAZUBWLKRL-RKDXNWHRSA-N 1 1 199.294 1.716 50 0 ADAAMO COC(=O)[C@H]1CCC[C@@H](C(C)(C)C)[NH2+]1 950757402 630211279 /nfs/dbraw/zinc/21/12/79/630211279.db2.gz ZIJLSAZUBWLKRL-BDAKNGLRSA-N 1 1 199.294 1.716 50 0 ADAAMO COC(=O)[C@@H]1CCC[C@H](C(C)(C)C)[NH2+]1 950757403 630212028 /nfs/dbraw/zinc/21/20/28/630212028.db2.gz ZIJLSAZUBWLKRL-DTWKUNHWSA-N 1 1 199.294 1.716 50 0 ADAAMO COC(=O)[C@@H]1CCC[C@@H](C(C)(C)C)[NH2+]1 950757404 630212357 /nfs/dbraw/zinc/21/23/57/630212357.db2.gz ZIJLSAZUBWLKRL-IUCAKERBSA-N 1 1 199.294 1.716 50 0 ADAAMO C[C@H](CN)[N@H+]1CCCC[C@H]1C 238854783 524309524 /nfs/dbraw/zinc/30/95/24/524309524.db2.gz PJDPNPWWAPAAII-RKDXNWHRSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@H](C[NH3+])N1CCCC[C@H]1C 238854783 524309529 /nfs/dbraw/zinc/30/95/29/524309529.db2.gz PJDPNPWWAPAAII-RKDXNWHRSA-N 1 1 156.273 1.208 50 0 ADAAMO C[C@@H]1C[C@@H](C2CCCCC2)[NH2+]C[C@H]1N 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