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169.146 0.927 50 0 ACAARO FC(F)(F)C[C@@H]1COCC[NH2+]1 20417509 572218567 /nfs/dbraw/zinc/21/85/67/572218567.db2.gz FFPWJEVAPQZFFW-RXMQYKEDSA-N 1 0 169.146 0.927 50 0 ACAARO Cc1nn(C)c(N(C)C)c1C[NH3+] 20469752 572222237 /nfs/dbraw/zinc/22/22/37/572222237.db2.gz ULIAIYIPYIRFOD-UHFFFAOYSA-N 1 0 168.244 0.253 50 0 ACAARO CN1C[C@@H]2CC[C@H](C1)[NH2+]2 20443520 572222291 /nfs/dbraw/zinc/22/22/91/572222291.db2.gz OQMSHITZFTVBHN-KNVOCYPGSA-N 1 0 126.203 0.052 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(=O)OC(C)C 36827665 572224816 /nfs/dbraw/zinc/22/48/16/572224816.db2.gz ZJIVVFUSMATLTN-ZCFIWIBFSA-N 1 0 145.202 0.675 50 0 ACAARO C[NH+](C)CC1(C[NH3+])CCOCC1 52181147 572336009 /nfs/dbraw/zinc/33/60/09/572336009.db2.gz BOUKCGABVFDMBA-UHFFFAOYSA-N 1 0 172.272 0.304 50 0 ACAARO COC(=O)c1cccc(NCC[NH3+])c1 77295301 572337446 /nfs/dbraw/zinc/33/74/46/572337446.db2.gz OZQWZPKGJRGHCS-UHFFFAOYSA-N 1 0 194.234 0.844 50 0 ACAARO [NH3+][C@@H]1CC[C@H]2OCC[C@H]2C1 76574752 572352047 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486725132 /nfs/dbraw/zinc/72/51/32/486725132.db2.gz PZZJQYZWNAWGGW-SSDOTTSWSA-N 1 0 196.254 0.722 50 0 in-vitro ACAARO Cc1cc(C[N@@H+]2CC[C@@H](CO)C2)[nH]n1 670470850 486740221 /nfs/dbraw/zinc/74/02/21/486740221.db2.gz DCRKHFZQJJURHM-SECBINFHSA-N 1 0 195.266 0.532 50 0 ACAARO Cc1cc(C[N@@H+]2CC[C@H](CO)C2)[nH]n1 670470851 486740493 /nfs/dbraw/zinc/74/04/93/486740493.db2.gz DCRKHFZQJJURHM-VIFPVBQESA-N 1 0 195.266 0.532 50 0 ACAARO C[n+]1ccc(C2OCCCO2)cc1 670425656 486740791 /nfs/dbraw/zinc/74/07/91/486740791.db2.gz FXYCVQYBURZSJA-UHFFFAOYSA-N 1 0 180.227 0.947 50 0 ACAARO Cc1nc[nH]c1CN1CCC([NH3+])CC1 74245741 486797864 /nfs/dbraw/zinc/79/78/64/486797864.db2.gz AQCOIWGWWZFIND-UHFFFAOYSA-N 1 0 194.282 0.641 50 0 ACAARO Cc1c[nH]c([C@H]2CC[NH2+]C2)n1 82841073 486826179 /nfs/dbraw/zinc/82/61/79/486826179.db2.gz CKXAPDZJOITDJS-ZETCQYMHSA-N 1 0 151.213 0.795 50 0 ACAARO Cc1c[nH]c([C@@H]2CC[NH2+]C2)n1 82841071 486826474 /nfs/dbraw/zinc/82/64/74/486826474.db2.gz CKXAPDZJOITDJS-SSDOTTSWSA-N 1 0 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LUQCRJYGQUNCGS-XVYDVKMFSA-N 1 0 187.308 0.980 50 0 ACAARO [NH3+][C@@H](CC1CC1)C1(O)CCOCC1 958527587 698189758 /nfs/dbraw/zinc/18/97/58/698189758.db2.gz ALSTVDODGRYEKJ-VIFPVBQESA-N 1 0 185.267 0.655 50 0 ACAARO COC[C@@H]([NH3+])C1(O)CCSCC1 958527860 698189804 /nfs/dbraw/zinc/18/98/04/698189804.db2.gz GYBFRNARAJBZEZ-SSDOTTSWSA-N 1 0 191.296 0.218 50 0 ACAARO [NH3+][C@H](CC1CC1)C1(O)CCOCC1 958527586 698189871 /nfs/dbraw/zinc/18/98/71/698189871.db2.gz ALSTVDODGRYEKJ-SECBINFHSA-N 1 0 185.267 0.655 50 0 ACAARO C[C@@H]1SCC[C@@]1(O)[C@H]([NH3+])C1CC1 958528007 698189881 /nfs/dbraw/zinc/18/98/81/698189881.db2.gz LUQCRJYGQUNCGS-ZQARSLAVSA-N 1 0 187.308 0.980 50 0 ACAARO C[C@@H]1SCC[C@]1(O)[C@@H]([NH3+])C1CC1 958528003 698189910 /nfs/dbraw/zinc/18/99/10/698189910.db2.gz LUQCRJYGQUNCGS-CNUIFLNQSA-N 1 0 187.308 0.980 50 0 ACAARO CCC(CC)[C@H]([NH3+])C1(O)COC1 958528324 698189935 /nfs/dbraw/zinc/18/99/35/698189935.db2.gz MRVFPVPCNKZPCD-QMMMGPOBSA-N 1 0 173.256 0.511 50 0 ACAARO COC[C@H]([NH3+])C1(O)CCSCC1 958527861 698189945 /nfs/dbraw/zinc/18/99/45/698189945.db2.gz GYBFRNARAJBZEZ-ZETCQYMHSA-N 1 0 191.296 0.218 50 0 ACAARO CCC(CC)[C@@H]([NH3+])C1(O)COC1 958528323 698189978 /nfs/dbraw/zinc/18/99/78/698189978.db2.gz MRVFPVPCNKZPCD-MRVPVSSYSA-N 1 0 173.256 0.511 50 0 ACAARO C[C@@H]1SCC[C@]1(O)[C@H]([NH3+])C1CC1 958528004 698190023 /nfs/dbraw/zinc/19/00/23/698190023.db2.gz LUQCRJYGQUNCGS-NBEYISGCSA-N 1 0 187.308 0.980 50 0 ACAARO CC1(C)C[C@@](O)([C@H]([NH3+])C2CC2)CO1 958528481 698190099 /nfs/dbraw/zinc/19/00/99/698190099.db2.gz ULAPWGOHBOAVSS-SCZZXKLOSA-N 1 0 185.267 0.654 50 0 ACAARO CC1(C)C[C@@](O)([C@@H]([NH3+])C2CC2)CO1 958528483 698190106 /nfs/dbraw/zinc/19/01/06/698190106.db2.gz ULAPWGOHBOAVSS-WPRPVWTQSA-N 1 0 185.267 0.654 50 0 ACAARO COC[C@H]([NH3+])[C@@]1(O)CCC[C@@H](C)C1 958528335 698190114 /nfs/dbraw/zinc/19/01/14/698190114.db2.gz NDIDMCCSSCFBGY-KXUCPTDWSA-N 1 0 187.283 0.901 50 0 ACAARO [NH3+][C@H](C1CCC1)C1(O)CCOCC1 958528596 698190118 /nfs/dbraw/zinc/19/01/18/698190118.db2.gz WDZJEYBENQRXMG-SECBINFHSA-N 1 0 185.267 0.655 50 0 ACAARO COC[C@H]([NH3+])[C@]1(O)CCC[C@H](C)C1 958528334 698190137 /nfs/dbraw/zinc/19/01/37/698190137.db2.gz NDIDMCCSSCFBGY-GUBZILKMSA-N 1 0 187.283 0.901 50 0 ACAARO CC1(C)C[C@](O)([C@H]([NH3+])C2CC2)CO1 958528480 698190149 /nfs/dbraw/zinc/19/01/49/698190149.db2.gz ULAPWGOHBOAVSS-PSASIEDQSA-N 1 0 185.267 0.654 50 0 ACAARO CC[C@H]([NH3+])[C@]1(O)CCOC1(C)C 958528446 698190211 /nfs/dbraw/zinc/19/02/11/698190211.db2.gz SKCSDQQHBUCGDZ-IONNQARKSA-N 1 0 173.256 0.654 50 0 ACAARO Cc1nc([C@H]([NH3+])C(C)(C)O)cn1C 958528329 698190222 /nfs/dbraw/zinc/19/02/22/698190222.db2.gz MZBIAGBKCFNQQS-QMMMGPOBSA-N 1 0 183.255 0.499 50 0 ACAARO [NH3+][C@H](C1CCCC1)C1(O)COC1 958528394 698190232 /nfs/dbraw/zinc/19/02/32/698190232.db2.gz OFGJUUITMPWRPT-MRVPVSSYSA-N 1 0 171.240 0.265 50 0 ACAARO CC[C@@H]([NH3+])[C@@]1(O)CCOC1(C)C 958528444 698190242 /nfs/dbraw/zinc/19/02/42/698190242.db2.gz SKCSDQQHBUCGDZ-APPZFPTMSA-N 1 0 173.256 0.654 50 0 ACAARO [NH3+][C@H](C1CCCCC1)C1(O)COC1 958528603 698190261 /nfs/dbraw/zinc/19/02/61/698190261.db2.gz WGRRYMSFRFXDBA-SECBINFHSA-N 1 0 185.267 0.655 50 0 ACAARO CC1(C)C[C@](O)([C@@H]([NH3+])C2CC2)CO1 958528482 698190303 /nfs/dbraw/zinc/19/03/03/698190303.db2.gz ULAPWGOHBOAVSS-WCBMZHEXSA-N 1 0 185.267 0.654 50 0 ACAARO COC[C@H]([NH3+])[C@]1(O)CCC[C@@H](C)C1 958528337 698190327 /nfs/dbraw/zinc/19/03/27/698190327.db2.gz NDIDMCCSSCFBGY-UTLUCORTSA-N 1 0 187.283 0.901 50 0 ACAARO CC[C@H]([NH3+])[C@@]1(O)CCOC1(C)C 958528445 698190364 /nfs/dbraw/zinc/19/03/64/698190364.db2.gz SKCSDQQHBUCGDZ-CBAPKCEASA-N 1 0 173.256 0.654 50 0 ACAARO COC[C@H]([NH3+])C1(O)CC(C)(C)C1 958528367 698190381 /nfs/dbraw/zinc/19/03/81/698190381.db2.gz QEOCEUIPZCXIMB-ZETCQYMHSA-N 1 0 173.256 0.511 50 0 ACAARO [NH3+][C@@H](C1CCCC1)C1(O)COC1 958528399 698190390 /nfs/dbraw/zinc/19/03/90/698190390.db2.gz OFGJUUITMPWRPT-QMMMGPOBSA-N 1 0 171.240 0.265 50 0 ACAARO Cc1nc([C@@H]([NH3+])C(C)(C)O)cn1C 958528328 698190394 /nfs/dbraw/zinc/19/03/94/698190394.db2.gz MZBIAGBKCFNQQS-MRVPVSSYSA-N 1 0 183.255 0.499 50 0 ACAARO CC[C@@H]([NH3+])[C@]1(O)CCOC1(C)C 958528447 698190418 /nfs/dbraw/zinc/19/04/18/698190418.db2.gz SKCSDQQHBUCGDZ-VXNVDRBHSA-N 1 0 173.256 0.654 50 0 ACAARO COC[C@H]([NH3+])[C@@]1(O)CCC[C@H](C)C1 958528336 698190433 /nfs/dbraw/zinc/19/04/33/698190433.db2.gz NDIDMCCSSCFBGY-LPEHRKFASA-N 1 0 187.283 0.901 50 0 ACAARO [NH3+][C@@H](C1CCC1)C1(O)CCOCC1 958528598 698190468 /nfs/dbraw/zinc/19/04/68/698190468.db2.gz WDZJEYBENQRXMG-VIFPVBQESA-N 1 0 185.267 0.655 50 0 ACAARO COC[C@@H]([NH3+])C1(O)CC(C)(C)C1 958528361 698190482 /nfs/dbraw/zinc/19/04/82/698190482.db2.gz QEOCEUIPZCXIMB-SSDOTTSWSA-N 1 0 173.256 0.511 50 0 ACAARO CCOC(=O)CC1([NH3+])CCOCC1 83137569 325608487 /nfs/dbraw/zinc/60/84/87/325608487.db2.gz DWZYCNFJCACXKW-UHFFFAOYSA-N 1 0 187.239 0.448 50 0 in-vitro ACAARO C[C@@H]1O[C@H](C)[C@H]([NH3+])[C@@H]1C 83524198 325608743 /nfs/dbraw/zinc/60/87/43/325608743.db2.gz KTYSMWXLTWWJAY-XZBKPIIZSA-N 1 0 129.203 0.757 50 0 ACAARO C[C@@H]1O[C@H](C)[C@H]([NH3+])[C@H]1C 83524199 325608747 /nfs/dbraw/zinc/60/87/47/325608747.db2.gz KTYSMWXLTWWJAY-VWDOSNQTSA-N 1 0 129.203 0.757 50 0 ACAARO Cc1noc(C[C@@]2(O)CCC[NH2+]C2)n1 306745309 325639594 /nfs/dbraw/zinc/63/95/94/325639594.db2.gz AMHPOXZICNVRTN-VIFPVBQESA-N 1 0 197.238 0.035 50 0 ACAARO [NH3+]C[C@H]1CC2(CC2)CO1 536957875 325672106 /nfs/dbraw/zinc/67/21/06/325672106.db2.gz KUHIIBZROYQZJN-ZCFIWIBFSA-N 1 0 127.187 0.514 50 0 ACAARO CN1C(=O)[C@H]([NH3+])Cc2ccccc21 64874339 132176913 /nfs/dbraw/zinc/17/69/13/132176913.db2.gz YZYJYCPYUXPNPE-MRVPVSSYSA-N 1 0 176.219 0.533 50 0 ACAARO CN1C(=O)[C@@H]([NH3+])Cc2ccccc21 64874337 132176931 /nfs/dbraw/zinc/17/69/31/132176931.db2.gz YZYJYCPYUXPNPE-QMMMGPOBSA-N 1 0 176.219 0.533 50 0 ACAARO Oc1ccccc1N1CC[NH2+]CC1 157416 132178198 /nfs/dbraw/zinc/17/81/98/132178198.db2.gz UORNTHBBLYBAJJ-UHFFFAOYSA-N 1 0 178.235 0.802 50 0 in-vivo ACAARO Oc1ccc(N2CC[NH2+]CC2)cc1 66007 132178469 /nfs/dbraw/zinc/17/84/69/132178469.db2.gz GPEOAEVZTOQXLG-UHFFFAOYSA-N 1 0 178.235 0.802 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1N1CCOCC1 159009 132178474 /nfs/dbraw/zinc/17/84/74/132178474.db2.gz RNYURNUANACIKS-UHFFFAOYSA-N 1 0 192.262 0.982 50 0 in-vitro ACAARO C[NH+]1CCN(c2ccc(N)cn2)CC1 167487 132178486 /nfs/dbraw/zinc/17/84/86/132178486.db2.gz NZTCEWZBMOTKCJ-UHFFFAOYSA-N 1 0 192.266 0.416 50 0 in-vitro ACAARO C[NH+]1CCN(c2ncccc2N)CC1 168814 132178531 /nfs/dbraw/zinc/17/85/31/132178531.db2.gz IFHQJBQZOLOOHW-UHFFFAOYSA-N 1 0 192.266 0.416 50 0 ACAARO CC[NH+]1CCN(c2ncccn2)CC1 2490165 132179066 /nfs/dbraw/zinc/17/90/66/132179066.db2.gz NMGAABCQJFERQI-UHFFFAOYSA-N 1 0 192.266 0.619 50 0 ACAARO COc1cccnc1N1CC[NH2+]CC1 2527247 132179235 /nfs/dbraw/zinc/17/92/35/132179235.db2.gz KLNMSBVPRVBART-UHFFFAOYSA-N 1 0 193.250 0.500 50 0 in-vitro ACAARO Oc1cccc(N2CC[NH2+]CC2)c1 2510263 132179564 /nfs/dbraw/zinc/17/95/64/132179564.db2.gz AYGYICRITMSJOC-UHFFFAOYSA-N 1 0 178.235 0.802 50 0 in-vitro ACAARO Cc1ccnc(N2CC[NH2+]CC2)c1 2529844 132179570 /nfs/dbraw/zinc/17/95/70/132179570.db2.gz ZFBRKSGGMODDHD-UHFFFAOYSA-N 1 0 177.251 0.800 50 0 in-vitro ACAARO Cc1cccnc1N1CC[NH2+]CC1 2529843 132179582 /nfs/dbraw/zinc/17/95/82/132179582.db2.gz VVBVRZMTWMATNG-UHFFFAOYSA-N 1 0 177.251 0.800 50 0 in-vitro ACAARO Nc1ccccc1N1CC[NH2+]CC1 1865784 132179587 /nfs/dbraw/zinc/17/95/87/132179587.db2.gz TZWRXFPFRACRLO-UHFFFAOYSA-N 1 0 177.251 0.678 50 0 in-vitro ACAARO [NH3+]Cc1cccc(N2CCOCC2)c1 4272180 132179918 /nfs/dbraw/zinc/17/99/18/132179918.db2.gz RVNBOLIRQOSAAX-UHFFFAOYSA-N 1 0 192.262 0.982 50 0 in-vitro ACAARO Clc1cnc(N2CC[NH2+]CC2)cn1 3716152 132180075 /nfs/dbraw/zinc/18/00/75/132180075.db2.gz OSJKCMGMSLEDMO-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 in-vitro ACAARO O=Cc1ccc(N2CC[NH2+]CC2)cc1 2563689 132180083 /nfs/dbraw/zinc/18/00/83/132180083.db2.gz BTTAIIUFVILNAC-UHFFFAOYSA-N 1 0 190.246 0.909 50 0 in-vitro ACAARO O=Cc1ccccc1N1CC[NH2+]CC1 4203042 132180132 /nfs/dbraw/zinc/18/01/32/132180132.db2.gz NITSFGVLNGNYOS-UHFFFAOYSA-N 1 0 190.246 0.909 50 0 in-vitro ACAARO C[C@H]1CN(c2ccccn2)CC[NH2+]1 4204037 132180146 /nfs/dbraw/zinc/18/01/46/132180146.db2.gz JOONLELIXITVDH-VIFPVBQESA-N 1 0 177.251 0.880 50 0 ACAARO C[C@@H]1CN(c2ccccn2)CC[NH2+]1 4204036 132180183 /nfs/dbraw/zinc/18/01/83/132180183.db2.gz JOONLELIXITVDH-SECBINFHSA-N 1 0 177.251 0.880 50 0 ACAARO Cc1cc(N2CCOCC2)nc(N)[nH+]1 2565714 132180211 /nfs/dbraw/zinc/18/02/11/132180211.db2.gz KDUPOTNTAFUNNE-UHFFFAOYSA-N 1 0 194.238 0.204 50 0 ACAARO [NH3+]C1CCN(c2ncccn2)CC1 4299051 132180219 /nfs/dbraw/zinc/18/02/19/132180219.db2.gz USLXJAKPMUUGPV-UHFFFAOYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO Cc1cc(N2CC[NH2+]CC2)nc(C)n1 4945061 132180498 /nfs/dbraw/zinc/18/04/98/132180498.db2.gz NARMKNJWXHFJFF-UHFFFAOYSA-N 1 0 192.266 0.503 50 0 in-vitro ACAARO Fc1cnc(N2CC[NH2+]CC2)nc1 2569372 132180534 /nfs/dbraw/zinc/18/05/34/132180534.db2.gz GXXFECFLKWGTNP-UHFFFAOYSA-N 1 0 182.202 0.025 50 0 in-vitro ACAARO Clc1ccc(N2CC[NH2+]CC2)nn1 4502282 132180546 /nfs/dbraw/zinc/18/05/46/132180546.db2.gz DXPPQFXYIZTQCV-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 in-vitro ACAARO Cc1cnc(C)c(N2CC[NH2+]CC2)n1 3716149 132180610 /nfs/dbraw/zinc/18/06/10/132180610.db2.gz WFPZOAOJEXDUGP-UHFFFAOYSA-N 1 0 192.266 0.503 50 0 in-vitro ACAARO Clc1nccc(N2CC[NH2+]CC2)n1 3716156 132181358 /nfs/dbraw/zinc/18/13/58/132181358.db2.gz SFYYCOYORWAGQC-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 ACAARO Nc1cccc(N2CC[NH2+]CC2)c1 8418343 132181379 /nfs/dbraw/zinc/18/13/79/132181379.db2.gz XMVRISGEQIGXJB-UHFFFAOYSA-N 1 0 177.251 0.678 50 0 ACAARO c1cc(N2CCOCC2)cc[nH+]1 5380419 132181476 /nfs/dbraw/zinc/18/14/76/132181476.db2.gz QJWQYVJVCXMTJP-UHFFFAOYSA-N 1 0 164.208 0.918 50 0 in-vitro ACAARO Fc1cccnc1N1CC[NH2+]CC1 6092219 132181504 /nfs/dbraw/zinc/18/15/04/132181504.db2.gz HPYRNHPSWLCJKD-UHFFFAOYSA-N 1 0 181.214 0.630 50 0 in-vitro ACAARO Cc1cc(N2CCC([NH3+])CC2)ncn1 11849441 132182254 /nfs/dbraw/zinc/18/22/54/132182254.db2.gz IGTZGQVCOZRJMJ-UHFFFAOYSA-N 1 0 192.266 0.713 50 0 ACAARO C[NH2+]Cc1cnc2c(c1)OCCN2C 12370694 132182398 /nfs/dbraw/zinc/18/23/98/132182398.db2.gz SMECUBWISXUYSV-UHFFFAOYSA-N 1 0 193.250 0.630 50 0 in-vitro ACAARO Cc1cncc(N2CC[NH2+]CC2)n1 12370874 132182456 /nfs/dbraw/zinc/18/24/56/132182456.db2.gz ZQAVHWZTBHGKFK-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 in-vitro ACAARO Cc1ccc(N2CC[NH2+]CC2)nn1 11567975 132182543 /nfs/dbraw/zinc/18/25/43/132182543.db2.gz VJRHTFKXROTZLL-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 in-vitro ACAARO [NH3+]CC(=O)N1CCCc2ccccc21 11956828 132182557 /nfs/dbraw/zinc/18/25/57/132182557.db2.gz AGVLPANXRRNFSV-UHFFFAOYSA-N 1 0 190.246 0.925 50 0 in-vitro ACAARO Nc1cccnc1N1CC[NH2+]CC1 11919546 132182587 /nfs/dbraw/zinc/18/25/87/132182587.db2.gz KZZRPCPYROZNOE-UHFFFAOYSA-N 1 0 178.239 0.073 50 0 ACAARO [NH3+]C[C@H]1CN(c2ccccc2)CCO1 11632302 132182685 /nfs/dbraw/zinc/18/26/85/132182685.db2.gz YAKKATWFMLCGMI-NSHDSACASA-N 1 0 192.262 0.851 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CN(c2ccccc2)CCO1 11632301 132182722 /nfs/dbraw/zinc/18/27/22/132182722.db2.gz YAKKATWFMLCGMI-LLVKDONJSA-N 1 0 192.262 0.851 50 0 in-vitro ACAARO COc1cncc(N2CC[NH2+]CC2)c1 13703883 132182755 /nfs/dbraw/zinc/18/27/55/132182755.db2.gz HSIGWPYNPCNTCE-UHFFFAOYSA-N 1 0 193.250 0.500 50 0 ACAARO Nc1ccc(N2CC[NH2+]CC2)nc1 11568678 132182820 /nfs/dbraw/zinc/18/28/20/132182820.db2.gz MPEVPWUEDJNVHE-UHFFFAOYSA-N 1 0 178.239 0.073 50 0 ACAARO Cc1cc(N2CC[NH2+]CC2)ncn1 11849502 132182835 /nfs/dbraw/zinc/18/28/35/132182835.db2.gz QTCMVXOPACNERD-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 in-vitro ACAARO Cc1ccc(N2CC[NH2+]CC2)nc1 19015158 132183262 /nfs/dbraw/zinc/18/32/62/132183262.db2.gz QDRKPHJFMGUXPN-UHFFFAOYSA-N 1 0 177.251 0.800 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCN(c2ncccn2)C1 14808559 132183656 /nfs/dbraw/zinc/18/36/56/132183656.db2.gz DVRGIRPTOHSFCO-VIFPVBQESA-N 1 0 192.266 0.652 50 0 in-vitro ACAARO c1ccc(N2CC[NH2+]CC2)nc1 19014810 132183718 /nfs/dbraw/zinc/18/37/18/132183718.db2.gz GZRKXKUVVPSREJ-UHFFFAOYSA-N 1 0 163.224 0.491 50 0 in-vivo ACAARO [NH3+]C[C@H]1CCCN(c2ncccn2)C1 14808563 132183902 /nfs/dbraw/zinc/18/39/02/132183902.db2.gz DVRGIRPTOHSFCO-SECBINFHSA-N 1 0 192.266 0.652 50 0 in-vitro ACAARO [NH3+]CCN1C(=O)COc2ccccc21 19271390 132184083 /nfs/dbraw/zinc/18/40/83/132184083.db2.gz KOYVJBYLIWQFLR-UHFFFAOYSA-N 1 0 192.218 0.371 50 0 ACAARO [NH3+]CC1CCN(c2ncccn2)CC1 20216310 132184332 /nfs/dbraw/zinc/18/43/32/132184332.db2.gz ZADAPLCYCBLHPU-UHFFFAOYSA-N 1 0 192.266 0.652 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(c2ncccn2)C1 19735524 132184341 /nfs/dbraw/zinc/18/43/41/132184341.db2.gz OPGDLXLANFEESO-QMMMGPOBSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO [NH3+]Cc1cccc(N2CCOCC2)n1 20230800 132184391 /nfs/dbraw/zinc/18/43/91/132184391.db2.gz JRKWUCQBVPZBBP-UHFFFAOYSA-N 1 0 193.250 0.377 50 0 in-vitro ACAARO [NH3+]Cc1ccc(N2CCOCC2)nc1 20080890 132184574 /nfs/dbraw/zinc/18/45/74/132184574.db2.gz QXGZUDFSJASRPB-UHFFFAOYSA-N 1 0 193.250 0.377 50 0 in-vitro ACAARO Nc1ccc(N2CC[NH2+]CC2)cn1 19773226 132184766 /nfs/dbraw/zinc/18/47/66/132184766.db2.gz VBBGHNGROGZGHG-UHFFFAOYSA-N 1 0 178.239 0.073 50 0 ACAARO Nc1cc[nH+]c(N2CCOCC2)c1 20028414 132184776 /nfs/dbraw/zinc/18/47/76/132184776.db2.gz ZSXQDGMZXKOADT-UHFFFAOYSA-N 1 0 179.223 0.500 50 0 in-vitro ACAARO Nc1c[nH+]ccc1N1CCOCC1 19763684 132184802 /nfs/dbraw/zinc/18/48/02/132184802.db2.gz QSJJDPGQZUUPSZ-UHFFFAOYSA-N 1 0 179.223 0.500 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCN(c2ncccn2)C1 19735523 132184834 /nfs/dbraw/zinc/18/48/34/132184834.db2.gz OPGDLXLANFEESO-MRVPVSSYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO C[NH+]1CCN(c2ccc(N)nc2)CC1 19868051 132184866 /nfs/dbraw/zinc/18/48/66/132184866.db2.gz QDMPMBFLXOWHRY-UHFFFAOYSA-N 1 0 192.266 0.416 50 0 in-vitro ACAARO [NH3+]Cc1ccnc(N2CCOCC2)c1 20230834 132185031 /nfs/dbraw/zinc/18/50/31/132185031.db2.gz NHFVDBCQOZATNT-UHFFFAOYSA-N 1 0 193.250 0.377 50 0 in-vitro ACAARO Nc1cc(N2CCOCC2)cc[nH+]1 20357569 132185655 /nfs/dbraw/zinc/18/56/55/132185655.db2.gz KEQRMEXRBFYCCN-UHFFFAOYSA-N 1 0 179.223 0.500 50 0 in-vitro ACAARO CN1CCNc2c[nH+]ccc21 20974964 132185683 /nfs/dbraw/zinc/18/56/83/132185683.db2.gz SEAXJGMTMBKZNW-UHFFFAOYSA-N 1 0 149.197 0.943 50 0 in-vitro ACAARO [NH3+]C1CCN(c2cnccn2)CC1 22150986 132185686 /nfs/dbraw/zinc/18/56/86/132185686.db2.gz YKIUKRCSLWXOOK-UHFFFAOYSA-N 1 0 178.239 0.404 50 0 ACAARO Cc1nc(N2CCOCC2)cc(N)[nH+]1 25493116 132185800 /nfs/dbraw/zinc/18/58/00/132185800.db2.gz NVYNZTGBWLAAPR-UHFFFAOYSA-N 1 0 194.238 0.204 50 0 in-vitro ACAARO Cc1cc[nH+]c(N2CCOCC2)c1N 20357586 132185815 /nfs/dbraw/zinc/18/58/15/132185815.db2.gz ZIOVOFQTQKEYNT-UHFFFAOYSA-N 1 0 193.250 0.809 50 0 ACAARO [NH3+]Cc1cccnc1N1CCOCC1 20281895 132185923 /nfs/dbraw/zinc/18/59/23/132185923.db2.gz WPWYMVOGKUNWOO-UHFFFAOYSA-N 1 0 193.250 0.377 50 0 ACAARO Clc1cc(N2CC[NH2+]CC2)ncn1 26442175 132186467 /nfs/dbraw/zinc/18/64/67/132186467.db2.gz YUDWNXPKSXBXBB-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 in-vitro ACAARO Fc1ccc(N2CC[NH2+]CC2)nc1 34131445 132187484 /nfs/dbraw/zinc/18/74/84/132187484.db2.gz DTAOJTXARNSWRJ-UHFFFAOYSA-N 1 0 181.214 0.630 50 0 in-vitro ACAARO CN1C[C@@H](C[NH3+])Oc2ccccc21 34581020 132187526 /nfs/dbraw/zinc/18/75/26/132187526.db2.gz VPYSMSLDVAQICD-MRVPVSSYSA-N 1 0 178.235 0.843 50 0 in-vitro ACAARO Clc1nccnc1N1CC[NH2+]CC1 34224121 132187559 /nfs/dbraw/zinc/18/75/59/132187559.db2.gz YSEFEUMYRXRNND-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 in-vitro ACAARO CN1C[C@H](C[NH3+])Oc2ccccc21 34581019 132187570 /nfs/dbraw/zinc/18/75/70/132187570.db2.gz VPYSMSLDVAQICD-QMMMGPOBSA-N 1 0 178.235 0.843 50 0 in-vitro ACAARO Cc1nccc(N2CC[NH2+]CC2)n1 34382294 132187648 /nfs/dbraw/zinc/18/76/48/132187648.db2.gz WYEQVNKICBCRPY-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 in-vitro ACAARO Cc1cnc(N2CC[NH2+]CC2)nc1 34581135 132187852 /nfs/dbraw/zinc/18/78/52/132187852.db2.gz ZXPTZVHHGCYNHT-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 ACAARO Clc1cnc(N2CC[NH2+]CC2)nc1 34627778 132188041 /nfs/dbraw/zinc/18/80/41/132188041.db2.gz CNHDTJAPQFANKE-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 ACAARO Fc1cccc(N2CC[NH2+]CC2)n1 33920777 132188119 /nfs/dbraw/zinc/18/81/19/132188119.db2.gz VOARECGTDYSHHS-UHFFFAOYSA-N 1 0 181.214 0.630 50 0 in-vitro ACAARO CN1C(=O)COc2ccc(C[NH3+])cc21 36258776 132188541 /nfs/dbraw/zinc/18/85/41/132188541.db2.gz FSQKKHDRRCAMMU-UHFFFAOYSA-N 1 0 192.218 0.501 50 0 in-vitro ACAARO C[NH2+]C1CCN(c2ncccn2)CC1 37469391 132188669 /nfs/dbraw/zinc/18/86/69/132188669.db2.gz ADDSZQPMRRWLAL-UHFFFAOYSA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO Clc1cncnc1N1CC[NH2+]CC1 35803543 132188737 /nfs/dbraw/zinc/18/87/37/132188737.db2.gz LUIOOJLWCBAEPI-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 ACAARO Cc1[nH+]c(N2CCOCC2)ccc1N 36251022 132188776 /nfs/dbraw/zinc/18/87/76/132188776.db2.gz FMQLZXUYWSZEGU-UHFFFAOYSA-N 1 0 193.250 0.809 50 0 in-vitro ACAARO C[NH2+]C1CCN(c2cnccn2)CC1 37469390 132189010 /nfs/dbraw/zinc/18/90/10/132189010.db2.gz ZORBHPKWEBTNPG-UHFFFAOYSA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO Oc1ccc(N2CC[NH2+]CC2)nc1 39114153 132189152 /nfs/dbraw/zinc/18/91/52/132189152.db2.gz CEXLVTBKTLENMJ-UHFFFAOYSA-N 1 0 179.223 0.197 50 0 ACAARO Clc1ccnc(N2CC[NH2+]CC2)n1 38540404 132189491 /nfs/dbraw/zinc/18/94/91/132189491.db2.gz MQSYDNGEAVHZAN-UHFFFAOYSA-N 1 0 198.657 0.540 50 0 ACAARO Cc1nccnc1N1CC[NH2+]CC1 39114997 132189563 /nfs/dbraw/zinc/18/95/63/132189563.db2.gz UIYIEUWPSAMPNA-UHFFFAOYSA-N 1 0 178.239 0.195 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(c2cnccn2)C1 40434788 132190072 /nfs/dbraw/zinc/19/00/72/132190072.db2.gz QGYMAHRAAGMMDJ-QMMMGPOBSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO Fc1cncc(F)c1N1CC[NH2+]CC1 39277298 132190196 /nfs/dbraw/zinc/19/01/96/132190196.db2.gz RUVYNVPJFDXASX-UHFFFAOYSA-N 1 0 199.204 0.769 50 0 ACAARO [NH3+][C@@H]1CCCN(c2cnccn2)C1 40434790 132190272 /nfs/dbraw/zinc/19/02/72/132190272.db2.gz QGYMAHRAAGMMDJ-MRVPVSSYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO Cc1cc(N2CCC[C@@H]([NH3+])C2)ncn1 41030350 132190499 /nfs/dbraw/zinc/19/04/99/132190499.db2.gz KZDVRUBEWMFQOK-SECBINFHSA-N 1 0 192.266 0.713 50 0 in-vitro ACAARO Cc1ccc(N2CCC[C@@H]([NH3+])C2)nn1 41045221 132190602 /nfs/dbraw/zinc/19/06/02/132190602.db2.gz ZYRVMLGTGBLTSL-SECBINFHSA-N 1 0 192.266 0.713 50 0 in-vitro ACAARO [NH3+]C1CCN(c2ccncn2)CC1 40862585 132190800 /nfs/dbraw/zinc/19/08/00/132190800.db2.gz ZUEKSECYPXHXAQ-UHFFFAOYSA-N 1 0 178.239 0.404 50 0 ACAARO [NH3+][C@@H]1CCCN(c2ccncn2)C1 41030358 132190840 /nfs/dbraw/zinc/19/08/40/132190840.db2.gz AYHGBQRVBWIMAJ-MRVPVSSYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO Cc1cc(N2CCC[C@H]([NH3+])C2)ncn1 41030349 132190849 /nfs/dbraw/zinc/19/08/49/132190849.db2.gz KZDVRUBEWMFQOK-VIFPVBQESA-N 1 0 192.266 0.713 50 0 in-vitro ACAARO Cc1ccc(N2CCC[C@H]([NH3+])C2)nn1 41045220 132190857 /nfs/dbraw/zinc/19/08/57/132190857.db2.gz ZYRVMLGTGBLTSL-VIFPVBQESA-N 1 0 192.266 0.713 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(c2ccncn2)C1 41030357 132190873 /nfs/dbraw/zinc/19/08/73/132190873.db2.gz AYHGBQRVBWIMAJ-QMMMGPOBSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO Cc1ncnc(N2CC[NH2+]CC2)c1C 45950670 132191231 /nfs/dbraw/zinc/19/12/31/132191231.db2.gz BTJOEBVTPYHQHN-UHFFFAOYSA-N 1 0 192.266 0.503 50 0 in-vitro ACAARO Fc1cncc(N2CC[NH2+]CC2)c1 43461276 132191257 /nfs/dbraw/zinc/19/12/57/132191257.db2.gz DXVXNTIGANYKNY-UHFFFAOYSA-N 1 0 181.214 0.630 50 0 ACAARO [NH3+]CC1CCN(c2ccncn2)CC1 44514893 132191267 /nfs/dbraw/zinc/19/12/67/132191267.db2.gz SOQIYEUEAKMJCJ-UHFFFAOYSA-N 1 0 192.266 0.652 50 0 ACAARO [NH3+]CC1CCN(c2cnccn2)CC1 44514823 132191399 /nfs/dbraw/zinc/19/13/99/132191399.db2.gz VUCQVGAIMMSEGJ-UHFFFAOYSA-N 1 0 192.266 0.652 50 0 ACAARO Cc1cc(N)nc(N2CCOCC2)[nH+]1 50845196 132192019 /nfs/dbraw/zinc/19/20/19/132192019.db2.gz UJYHTKFDQSFBTE-UHFFFAOYSA-N 1 0 194.238 0.204 50 0 in-vitro ACAARO Cc1nccc(N2CCC([NH3+])CC2)n1 54935123 132192617 /nfs/dbraw/zinc/19/26/17/132192617.db2.gz UXJXGDDZKLKKEW-UHFFFAOYSA-N 1 0 192.266 0.713 50 0 ACAARO [NH3+]C1CCN(c2cccnn2)CC1 52815369 132192910 /nfs/dbraw/zinc/19/29/10/132192910.db2.gz DHFZVORKZWTMOX-UHFFFAOYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCN1c1cnccn1 54375208 132192985 /nfs/dbraw/zinc/19/29/85/132192985.db2.gz ZBCYZACWPLIDGY-QMMMGPOBSA-N 1 0 178.239 0.275 50 0 ACAARO C[C@@H]1C[NH2+]CCN1c1cnccn1 54375206 132193114 /nfs/dbraw/zinc/19/31/14/132193114.db2.gz ZBCYZACWPLIDGY-MRVPVSSYSA-N 1 0 178.239 0.275 50 0 ACAARO C[NH2+]C1CCN(c2cccnn2)CC1 52815370 132193120 /nfs/dbraw/zinc/19/31/20/132193120.db2.gz DEMPYJPTIIPUNY-UHFFFAOYSA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO COc1ccnc(N2CC[NH2+]CC2)c1 57218701 132193129 /nfs/dbraw/zinc/19/31/29/132193129.db2.gz GGFWCDNEFMGGMQ-UHFFFAOYSA-N 1 0 193.250 0.500 50 0 in-vitro ACAARO C[NH+]1CCN(c2cncc(N)c2)CC1 72192826 132193264 /nfs/dbraw/zinc/19/32/64/132193264.db2.gz ZTOPKLNHHKKXNY-UHFFFAOYSA-N 1 0 192.266 0.416 50 0 ACAARO O[C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 16953622 133418765 /nfs/dbraw/zinc/41/87/65/133418765.db2.gz QMQARUHERXCTNJ-IWSPIJDZSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO Cn1ccnc1[C@@H]1OCCC[C@H]1[NH3+] 306602086 133428833 /nfs/dbraw/zinc/42/88/33/133428833.db2.gz BIQGQNWXPFHYJQ-HTQZYQBOSA-N 1 0 181.239 0.599 50 0 ACAARO C1CS[C@@H]2CC[C@H]2[NH2+]1 407986244 133441438 /nfs/dbraw/zinc/44/14/38/133441438.db2.gz NGCCODDSSJRODG-PHDIDXHHSA-N 1 0 129.228 0.854 50 0 ACAARO COC(=O)[C@](C)([NH3+])CCF 407986195 133441510 /nfs/dbraw/zinc/44/15/10/133441510.db2.gz LICKWEUMIIMSEP-ZCFIWIBFSA-N 1 0 149.165 0.236 50 0 ACAARO C1CS[C@@H]2CC[C@@H]2[NH2+]1 407986243 133441663 /nfs/dbraw/zinc/44/16/63/133441663.db2.gz NGCCODDSSJRODG-NTSWFWBYSA-N 1 0 129.228 0.854 50 0 ACAARO [NH3+]Cc1ccnc(CO)c1 39475217 136408414 /nfs/dbraw/zinc/40/84/14/136408414.db2.gz ZGBKTQQZUZJZKC-UHFFFAOYSA-N 1 0 138.170 0.033 50 0 ACAARO C[C@H]1CCC[NH2+][C@@H]1CCO 78446860 136409328 /nfs/dbraw/zinc/40/93/28/136409328.db2.gz JNHKCGCZVXJPGT-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@@H]1CCC[NH2+][C@@H]1CCO 78446858 136409377 /nfs/dbraw/zinc/40/93/77/136409377.db2.gz JNHKCGCZVXJPGT-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)C[C@@H]1C(N)=[NH2+] 104656350 136412807 /nfs/dbraw/zinc/41/28/07/136412807.db2.gz GOZCTJIUMDNFPH-SCSAIBSYSA-N 1 0 112.176 0.968 50 0 ACAARO CCn1ccnc1[C@@H]1OCC[C@H]1[NH3+] 307212913 136423033 /nfs/dbraw/zinc/42/30/33/136423033.db2.gz PQVKUXJEKKIHHU-HTQZYQBOSA-N 1 0 181.239 0.692 50 0 ACAARO CC(C)[C@H]([NH3+])C(=O)N1CCCC1 7335 342923630 /nfs/dbraw/zinc/92/36/30/342923630.db2.gz IHBAVXVTGLANPI-QMMMGPOBSA-N 1 0 170.256 0.592 50 0 in-vivo ACAARO Cc1n[nH]c(C)c1C[NH3+] 64910 342925289 /nfs/dbraw/zinc/92/52/89/342925289.db2.gz YJVZLKBKPGYLJW-UHFFFAOYSA-N 1 0 125.175 0.485 50 0 in-vitro ACAARO C[C@H](O)C[NH+]1CCCCC1 154439 342928551 /nfs/dbraw/zinc/92/85/51/342928551.db2.gz UCASFSAKVJTSET-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CN1CCCN2CCC[NH+]=C12 155035 342928937 /nfs/dbraw/zinc/92/89/37/342928937.db2.gz OEBXWWBYZJNKRK-UHFFFAOYSA-N 1 0 153.229 0.384 50 0 in-vitro ACAARO CN(C)[PH+](N(C)C)N(C)C 154689 342928940 /nfs/dbraw/zinc/92/89/40/342928940.db2.gz XVDBWWRIXBMVJV-UHFFFAOYSA-N 1 0 163.205 0.898 50 0 in-vitro ACAARO O=c1o[n+]2ccccc2s1 155922 342928946 /nfs/dbraw/zinc/92/89/46/342928946.db2.gz NNXGSKAUEWNBJC-UHFFFAOYSA-N 1 0 154.170 0.440 50 0 ACAARO CC1(C)C[C@H](C(N)=O)C(C)(C)[NH2+]1 155933 342928979 /nfs/dbraw/zinc/92/89/79/342928979.db2.gz POAGFQOGFRYOFM-ZCFIWIBFSA-N 1 0 170.256 0.638 50 0 in-vitro ACAARO [NH3+]Cc1ccc2c(c1)OCO2 157591 342929267 /nfs/dbraw/zinc/92/92/67/342929267.db2.gz ZILSBZLQGRBMOR-UHFFFAOYSA-N 1 0 151.165 0.874 50 0 in-vitro ACAARO C[NH+]1CCC(C)(O)CC1 158439 342929279 /nfs/dbraw/zinc/92/92/79/342929279.db2.gz FGPBNJLOWUTYQP-UHFFFAOYSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO Cc1cc(NN)[nH+]c(C)n1 157903 342929292 /nfs/dbraw/zinc/92/92/92/342929292.db2.gz HVAYIAWJHRUOBC-UHFFFAOYSA-N 1 0 138.174 0.379 50 0 in-vitro ACAARO C1CNC2=[NH+]CCCN2C1 156961 342929348 /nfs/dbraw/zinc/92/93/48/342929348.db2.gz FVKFHMNJTHKMRX-UHFFFAOYSA-N 1 0 139.202 0.041 50 0 in-vitro ACAARO C[n+]1ccc(N)cc1 160232 342929749 /nfs/dbraw/zinc/92/97/49/342929749.db2.gz JWTVWQUUKNZIHH-UHFFFAOYSA-O 1 0 109.152 0.093 50 0 ACAARO CC[NH+](CC)CC(=O)N1CCCC1=O 191118 342931301 /nfs/dbraw/zinc/93/13/01/342931301.db2.gz CZAPYALYGFSGGY-UHFFFAOYSA-N 1 0 198.266 0.477 50 0 ACAARO C[N@H+](CCC(N)=O)Cc1ccccc1 227114 342931689 /nfs/dbraw/zinc/93/16/89/342931689.db2.gz VDDAYZYAPYSBSJ-UHFFFAOYSA-N 1 0 192.262 0.994 50 0 ACAARO CC[C@H]([NH3+])[C@@H]1CCCCNC1=O 199212 342931706 /nfs/dbraw/zinc/93/17/06/342931706.db2.gz CNVMPJJEJBSDPB-YUMQZZPRSA-N 1 0 170.256 0.640 50 0 ACAARO COc1ccccc1CNC(N)=[NH2+] 235180 342932038 /nfs/dbraw/zinc/93/20/38/342932038.db2.gz STLLWMVKGSDWJT-UHFFFAOYSA-N 1 0 179.223 0.678 50 0 in-vitro ACAARO C[C@H]1CN(C2CC[NH2+]CC2)C[C@H](C)O1 299479 342933274 /nfs/dbraw/zinc/93/32/74/342933274.db2.gz MYYJFAYHVMWIDI-UWVGGRQHSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO CCc1cc(N)nc(N)[nH+]1 330466 342933290 /nfs/dbraw/zinc/93/32/90/342933290.db2.gz FVSSMWRJBRKTOY-UHFFFAOYSA-N 1 0 138.174 0.203 50 0 in-vitro ACAARO Cc1cc(C[NH3+])nn1C 158739 342929782 /nfs/dbraw/zinc/92/97/82/342929782.db2.gz JGYXJOBBROGMLL-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1C[NH3+] 158807 342929795 /nfs/dbraw/zinc/92/97/95/342929795.db2.gz DGVBHLRORWEBLP-UHFFFAOYSA-N 1 0 139.202 0.496 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](C)O1 388173 342935530 /nfs/dbraw/zinc/93/55/30/342935530.db2.gz HNVIQLPOGUDBSU-WDSKDSINSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[NH+](C)[C@@H]1CCCCNC1=O 388584 342936042 /nfs/dbraw/zinc/93/60/42/342936042.db2.gz CFZGIDYCUWFUJR-SSDOTTSWSA-N 1 0 156.229 0.217 50 0 biogenic ACAARO Cc1cc(C)[n+]2c(n1)CCN2 390270 342936337 /nfs/dbraw/zinc/93/63/37/342936337.db2.gz YEDOBZMHAYOKRD-UHFFFAOYSA-N 1 0 150.205 0.086 50 0 ACAARO C[NH+](C)CCOc1ncncc1F 392059 342936701 /nfs/dbraw/zinc/93/67/01/342936701.db2.gz GEYIXKGVZCGKMI-UHFFFAOYSA-N 1 0 185.202 0.556 50 0 ACAARO C[NH+](C)C[C@H]1CCCC1=O 392593 342936802 /nfs/dbraw/zinc/93/68/02/342936802.db2.gz QCHXYCFAPIOFIY-SSDOTTSWSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO C[NH+](C)CCc1cnccn1 395022 342937428 /nfs/dbraw/zinc/93/74/28/342937428.db2.gz BOCWITWPYWEWPR-UHFFFAOYSA-N 1 0 151.213 0.581 50 0 ACAARO Cc1ccc(C(N)=[NH2+])n1C 1437490 342945239 /nfs/dbraw/zinc/94/52/39/342945239.db2.gz ZJGZSOPQLOXMAO-UHFFFAOYSA-N 1 0 137.186 0.618 50 0 ACAARO CC(C)CC(N)=[NH2+] 1439398 342945330 /nfs/dbraw/zinc/94/53/30/342945330.db2.gz NWMAYMXDONWXTE-UHFFFAOYSA-N 1 0 100.165 0.968 50 0 in-vitro ACAARO C[NH2+]C1CCOCC1 1529122 342946175 /nfs/dbraw/zinc/94/61/75/342946175.db2.gz WGYZZCUTSHNMET-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CNC1=[NH+][C@@H]2CCCC[C@@H]2O1 1694108 342959648 /nfs/dbraw/zinc/95/96/48/342959648.db2.gz BHOYTPLTOGANMK-RQJHMYQMSA-N 1 0 154.213 0.903 50 0 ACAARO CNC1=[NH+][C@H]2CCCC[C@@H]2O1 1694106 342959654 /nfs/dbraw/zinc/95/96/54/342959654.db2.gz BHOYTPLTOGANMK-BQBZGAKWSA-N 1 0 154.213 0.903 50 0 ACAARO C[NH+]1CCC(OC(N)=O)CC1 1666124 342955565 /nfs/dbraw/zinc/95/55/65/342955565.db2.gz IFBWEQCVAZUXNI-UHFFFAOYSA-N 1 0 158.201 0.176 50 0 ACAARO CN(C)C(=O)C1CC[NH2+]CC1 1668206 342955951 /nfs/dbraw/zinc/95/59/51/342955951.db2.gz XGABIOSYJHFORX-UHFFFAOYSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@@H](O)C(C)C 1759082 342964209 /nfs/dbraw/zinc/96/42/09/342964209.db2.gz KHRLRJPSKWLLPI-BQBZGAKWSA-N 1 0 131.219 0.741 50 0 ACAARO Cc1ccc[n+](C)c1 2166184 342970391 /nfs/dbraw/zinc/97/03/91/342970391.db2.gz MPUIJCPHOVBPOB-UHFFFAOYSA-N 1 0 108.164 0.820 50 0 ACAARO CCC[NH+](CCC)C[C@H](O)CO 2166947 342970396 /nfs/dbraw/zinc/97/03/96/342970396.db2.gz CTSOJEIWXYRSEM-VIFPVBQESA-N 1 0 175.272 0.462 50 0 ACAARO C[C@H](Cc1ccccc1)NC(=O)C[NH3+] 2002597 342966226 /nfs/dbraw/zinc/96/62/26/342966226.db2.gz NPGCSHWHPSDEQA-SECBINFHSA-N 1 0 192.262 0.693 50 0 ACAARO Cc1cccc(CNC(N)=[NH2+])c1 2013851 342966461 /nfs/dbraw/zinc/96/64/61/342966461.db2.gz VFVQFIWHMSRFPF-UHFFFAOYSA-N 1 0 163.224 0.978 50 0 ACAARO CCCC1=[NH+]CCN1 2018773 342966848 /nfs/dbraw/zinc/96/68/48/342966848.db2.gz LFCYHAXVBWPGQR-UHFFFAOYSA-N 1 0 112.176 0.788 50 0 in-vitro ACAARO C[C@H]1CCC[NH2+]1 2031152 342967415 /nfs/dbraw/zinc/96/74/15/342967415.db2.gz RGHPCLZJAFCTIK-YFKPBYRVSA-N 1 0 85.150 0.758 50 0 in-vitro ACAARO Cc1ccn(C[C@H](C)[NH3+])n1 2537936 342975434 /nfs/dbraw/zinc/97/54/34/342975434.db2.gz ISXYLDXKTNOIBN-LURJTMIESA-N 1 0 139.202 0.539 50 0 ACAARO CCn1ccc([C@H](C)[NH3+])n1 2537542 342975437 /nfs/dbraw/zinc/97/54/37/342975437.db2.gz CUFUZDIZPDUDPV-LURJTMIESA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO Cc1cnn(C[C@H](C)[NH3+])c1 2537937 342975442 /nfs/dbraw/zinc/97/54/42/342975442.db2.gz PTVGQYPGYSFDRA-ZETCQYMHSA-N 1 0 139.202 0.539 50 0 in-vitro ACAARO Cc1cc(C)n(C[C@H](C)[NH3+])n1 2537939 342975459 /nfs/dbraw/zinc/97/54/59/342975459.db2.gz FODFRQFRJYJPSO-LURJTMIESA-N 1 0 153.229 0.847 50 0 in-vitro ACAARO CC(C)[NH2+]CCCO 2566355 342977193 /nfs/dbraw/zinc/97/71/93/342977193.db2.gz GZCPWFOPXIDRDP-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO C[NH2+]CCS(=O)(=O)c1ccccc1 2576554 342978402 /nfs/dbraw/zinc/97/84/02/342978402.db2.gz PZBLTCZCXLHCIW-UHFFFAOYSA-N 1 0 199.275 0.680 50 0 in-vitro ACAARO C[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-] 2579066 342978404 /nfs/dbraw/zinc/97/84/04/342978404.db2.gz XXEWFEBMSGLYBY-ZETCQYMHSA-N 1 0 174.244 0.130 50 0 endogenous,in-man ACAARO C[NH2+]CC(=O)c1cccc(O)c1 2576822 342978500 /nfs/dbraw/zinc/97/85/00/342978500.db2.gz BDLRAEZKFVYJPW-UHFFFAOYSA-N 1 0 165.192 0.794 50 0 in-vitro ACAARO CN(C)Cc1nc(CO)cs1 2204453 342970805 /nfs/dbraw/zinc/97/08/05/342970805.db2.gz BIEFSXASVIQOOS-UHFFFAOYSA-N 1 0 172.253 0.697 50 0 in-vitro ACAARO Cc1cc(N)n(CC[NH+](C)C)n1 2511077 342973228 /nfs/dbraw/zinc/97/32/28/342973228.db2.gz RSFHAOJRAMLILZ-UHFFFAOYSA-N 1 0 168.244 0.335 50 0 ACAARO CCC[NH2+][C@@H]1CCS(=O)(=O)C1 3866510 342985405 /nfs/dbraw/zinc/98/54/05/342985405.db2.gz POJSXHDVRJSEOP-SSDOTTSWSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CC(C)N(CCC[NH3+])N(O)N=O 3870900 342985452 /nfs/dbraw/zinc/98/54/52/342985452.db2.gz WEHZRCACNLQADC-UHFFFAOYSA-N 1 0 176.220 0.333 50 0 in-vitro ACAARO C[C@H]1CC(=O)[C@H](C)C[N@@H+]1C 3882835 342985730 /nfs/dbraw/zinc/98/57/30/342985730.db2.gz VQHHMWWQNKUPKH-RQJHMYQMSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO Cc1cc(C)[n+]2c(n1)CCC2 3125018 342981148 /nfs/dbraw/zinc/98/11/48/342981148.db2.gz IFRXDJGAHMYAQS-UHFFFAOYSA-N 1 0 149.217 0.932 50 0 ACAARO C[NH2+]CC(=O)Nc1cccc(OC)c1 3335901 342982412 /nfs/dbraw/zinc/98/24/12/342982412.db2.gz BXAFKZOUAIPLDV-UHFFFAOYSA-N 1 0 194.234 0.853 50 0 in-vitro ACAARO Cc1ncc(C)c(N)n1 3591110 342982470 /nfs/dbraw/zinc/98/24/70/342982470.db2.gz UXKNAXNFIYFMIB-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 in-vivo ACAARO C[NH2+]CC(=O)Nc1ccc(OC)cc1 3336049 342982473 /nfs/dbraw/zinc/98/24/73/342982473.db2.gz RPVSEPALGPXALA-UHFFFAOYSA-N 1 0 194.234 0.853 50 0 in-vitro ACAARO CCn1ncc(C[NH2+]C)c1C 4298659 342990377 /nfs/dbraw/zinc/99/03/77/342990377.db2.gz PGEMPURRTUBTRN-UHFFFAOYSA-N 1 0 153.229 0.931 50 0 in-vitro ACAARO CCn1nccc1C[NH3+] 4298936 342990385 /nfs/dbraw/zinc/99/03/85/342990385.db2.gz VBRQKQJNZFDLDO-UHFFFAOYSA-N 1 0 125.175 0.362 50 0 in-vitro ACAARO Cc1cc(C[NH3+])n(C)n1 4298933 342990432 /nfs/dbraw/zinc/99/04/32/342990432.db2.gz DAOWQCXPMWGSBW-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 in-vitro ACAARO CCC(=O)N[C@H]1CCC[NH2+]C1 4298641 342990435 /nfs/dbraw/zinc/99/04/35/342990435.db2.gz YCSINODYAVEIAO-ZETCQYMHSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCC(=O)N[C@@H]1CCC[NH2+]C1 4298640 342990447 /nfs/dbraw/zinc/99/04/47/342990447.db2.gz YCSINODYAVEIAO-SSDOTTSWSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCn1nccc1[C@@H](C)[NH3+] 4298931 342990450 /nfs/dbraw/zinc/99/04/50/342990450.db2.gz PRSOTDKUNIQGKW-ZCFIWIBFSA-N 1 0 139.202 0.923 50 0 ACAARO CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 4298633 342990453 /nfs/dbraw/zinc/99/04/53/342990453.db2.gz MTKRMEXWJWUDTB-SNVBAGLBSA-N 1 0 196.294 0.997 50 0 in-vitro ACAARO CC[C@@H]1CO[C@@H](C)C[NH2+]1 3886940 342986102 /nfs/dbraw/zinc/98/61/02/342986102.db2.gz MNGOCGNQLBTUAX-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO Cc1cc(C)n(C(N)=[NH2+])n1 4286592 342990072 /nfs/dbraw/zinc/99/00/72/342990072.db2.gz GAZRNXIMWKZADY-UHFFFAOYSA-N 1 0 138.174 0.242 50 0 in-vitro ACAARO C[C@H]1C[C@H](O)CC[NH2+]1 4593891 342993050 /nfs/dbraw/zinc/99/30/50/342993050.db2.gz DSVHVLZINDRYQA-NTSWFWBYSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO C[C@H]([NH3+])C1CC1 4801763 342995905 /nfs/dbraw/zinc/99/59/05/342995905.db2.gz IXCXVGWKYIDNOS-BYPYZUCNSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[NH+](C)[C@H](CO)[C@H](O)c1ccccc1 4823966 342996132 /nfs/dbraw/zinc/99/61/32/342996132.db2.gz UMSLXKMPZZNDCQ-GHMZBOCLSA-N 1 0 195.262 0.643 50 0 ACAARO C[C@H]1C[NH2+]C(C)(C)[C@@H](O)C1 4343783 342990945 /nfs/dbraw/zinc/99/09/45/342990945.db2.gz FRFZTZXIGRVZMF-RQJHMYQMSA-N 1 0 143.230 0.755 50 0 ACAARO C[C@H]1[C@@H](C)[C@@H](O)CC[N@@H+]1C 4343748 342991020 /nfs/dbraw/zinc/99/10/20/342991020.db2.gz RKKHEISNQPMYEF-CSMHCCOUSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@H]1C[NH2+]C(C)(C)C(=O)C1 4343771 342991029 /nfs/dbraw/zinc/99/10/29/342991029.db2.gz PGAQZIHGDJNNQZ-ZCFIWIBFSA-N 1 0 141.214 0.964 50 0 ACAARO C[C@H]1C[NH2+]C(C)(C)[C@H](O)C1 4343786 342991111 /nfs/dbraw/zinc/99/11/11/342991111.db2.gz FRFZTZXIGRVZMF-RNFRBKRXSA-N 1 0 143.230 0.755 50 0 ACAARO C[C@H]1C[C@@H](O)C[N@H+](C)C1 4343759 342991113 /nfs/dbraw/zinc/99/11/13/342991113.db2.gz CBRMWULTQJIPNA-NKWVEPMBSA-N 1 0 129.203 0.319 50 0 ACAARO C[C@H]1C[C@@H](O)[C@H](C)C[N@@H+]1C 4343753 342991117 /nfs/dbraw/zinc/99/11/17/342991117.db2.gz ZMPIXCGEZCZGGJ-GJMOJQLCSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@H]1C[C@H](O)[C@H](C)[N@H+](C)C1 4343860 342991122 /nfs/dbraw/zinc/99/11/22/342991122.db2.gz FYSXYJLZTKYTDU-FXQIFTODSA-N 1 0 143.230 0.707 50 0 ACAARO CC(C)[NH2+]C[C@H](C)O 5455749 343003130 /nfs/dbraw/zinc/00/31/30/343003130.db2.gz RNFDZDMIFOFNMC-LURJTMIESA-N 1 0 117.192 0.365 50 0 in-vitro ACAARO C[N@@H+]1[C@@H]2CCC(=O)[C@H]1CC2 5519219 343004323 /nfs/dbraw/zinc/00/43/23/343004323.db2.gz VIZAOHGVLPCBMA-NKWVEPMBSA-N 1 0 139.198 0.812 50 0 ACAARO Cc1ccc(CC[NH3+])cn1 5588123 343005572 /nfs/dbraw/zinc/00/55/72/343005572.db2.gz YTAUZLFLNPDEER-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO CCC[NH2+]CCCO 5834713 343009089 /nfs/dbraw/zinc/00/90/89/343009089.db2.gz VVBMMWYCAMYUSW-UHFFFAOYSA-N 1 0 117.192 0.368 50 0 in-vitro ACAARO CC[C@@H](CO)[NH2+]Cc1ccncc1 5823226 343009096 /nfs/dbraw/zinc/00/90/96/343009096.db2.gz MNDDVQNBQVPGAG-JTQLQIEISA-N 1 0 180.251 0.942 50 0 ACAARO CC[C@H](CO)[NH2+]Cc1cccnc1 5823251 343009193 /nfs/dbraw/zinc/00/91/93/343009193.db2.gz MZEYJPLETFKZSH-SNVBAGLBSA-N 1 0 180.251 0.942 50 0 in-vitro ACAARO C[C@H]1C[NH2+][C@H](C)C[C@@H]1O 5912340 343009501 /nfs/dbraw/zinc/00/95/01/343009501.db2.gz JDAPNCWTYAIVCT-XVMARJQXSA-N 1 0 129.203 0.365 50 0 ACAARO C[C@H](O)C[C@@H]1CCCC[NH2+]1 6020935 343011159 /nfs/dbraw/zinc/01/11/59/343011159.db2.gz GFKFBLJVPWRDEL-YUMQZZPRSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]C1 6037601 343011978 /nfs/dbraw/zinc/01/19/78/343011978.db2.gz KYINPWAJIVTFBW-YFKPBYRVSA-N 1 0 85.150 0.616 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)NCc1ccccc1 6520815 343015198 /nfs/dbraw/zinc/01/51/98/343015198.db2.gz VRHPVAHXPQMOJZ-QMMMGPOBSA-N 1 0 178.235 0.650 50 0 in-vitro ACAARO CC[C@H](CO)[NH2+]Cc1ccncc1 5823252 343009136 /nfs/dbraw/zinc/00/91/36/343009136.db2.gz MNDDVQNBQVPGAG-SNVBAGLBSA-N 1 0 180.251 0.942 50 0 ACAARO CC[C@@H](CO)[NH2+]Cc1cccnc1 5823225 343009171 /nfs/dbraw/zinc/00/91/71/343009171.db2.gz MZEYJPLETFKZSH-JTQLQIEISA-N 1 0 180.251 0.942 50 0 in-vitro ACAARO Cc1ccc([C@H]([NH3+])CO)cc1 6658340 343015562 /nfs/dbraw/zinc/01/55/62/343015562.db2.gz JTEURNIHEPFUIJ-SECBINFHSA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO CCc1nccn1CCC[NH3+] 6677584 343016025 /nfs/dbraw/zinc/01/60/25/343016025.db2.gz QWBQWONZMPWCIT-UHFFFAOYSA-N 1 0 153.229 0.794 50 0 in-vitro ACAARO CCc1cc(C[NH3+])on1 6667695 343016068 /nfs/dbraw/zinc/01/60/68/343016068.db2.gz LZSPQVFNMYRNEU-UHFFFAOYSA-N 1 0 126.159 0.696 50 0 in-vitro ACAARO C[C@H]([NH3+])COC[C@H]1CCCO1 6678400 343016074 /nfs/dbraw/zinc/01/60/74/343016074.db2.gz LLSWRLZOQCLMJS-JGVFFNPUSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@H]([NH3+])Cc1cccnc1 7276831 343017399 /nfs/dbraw/zinc/01/73/99/343017399.db2.gz PUEWSNLDTZQXLN-ZETCQYMHSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO Cc1ccc(NCC[NH3+])nc1 10381467 343022116 /nfs/dbraw/zinc/02/21/16/343022116.db2.gz FSANRKUMJZHZDS-UHFFFAOYSA-N 1 0 151.213 0.761 50 0 ACAARO C[C@H]([NH3+])Cc1ccncc1 11570831 343023027 /nfs/dbraw/zinc/02/30/27/343023027.db2.gz SCMJZBZLSWJQJO-ZETCQYMHSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO Cc1cnc(CCC[NH3+])o1 11587044 343023034 /nfs/dbraw/zinc/02/30/34/343023034.db2.gz JAEZGFYTCROZCM-UHFFFAOYSA-N 1 0 140.186 0.874 50 0 ACAARO Cc1cnc(CC[NH3+])o1 11587023 343023048 /nfs/dbraw/zinc/02/30/48/343023048.db2.gz JCVLJJWFPXFHOO-UHFFFAOYSA-N 1 0 126.159 0.484 50 0 ACAARO C[C@H]([NH3+])Cc1cnccn1 12351298 343028690 /nfs/dbraw/zinc/02/86/90/343028690.db2.gz NUCGDQSFJGMQQA-LURJTMIESA-N 1 0 137.186 0.366 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@](C)(CO)C1 12384492 343029586 /nfs/dbraw/zinc/02/95/86/343029586.db2.gz LIPHTBOSXYCXFC-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC(C)N1C[C@@H](C[NH3+])CC1=O 12382457 343029600 /nfs/dbraw/zinc/02/96/00/343029600.db2.gz VLIAZARVPPDEJV-SSDOTTSWSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC[C@](C)([NH3+])CO 12404636 343030838 /nfs/dbraw/zinc/03/08/38/343030838.db2.gz QHKGDMNPQAZMKD-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO C[NH2+]C1CC1 12480236 343031431 /nfs/dbraw/zinc/03/14/31/343031431.db2.gz VEBLEROFGPOMPB-UHFFFAOYSA-N 1 0 71.123 0.368 50 0 in-vitro ACAARO C[C@H](CO)C[NH+]1CCCC1 12650194 343031956 /nfs/dbraw/zinc/03/19/56/343031956.db2.gz DBVFKDFKCCLKPX-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CCO1 12769423 343032052 /nfs/dbraw/zinc/03/20/52/343032052.db2.gz RGNFMQJLAOONTP-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CC[C@@H](O)[C@@H](C)[NH3+] 13356344 343034138 /nfs/dbraw/zinc/03/41/38/343034138.db2.gz JPGZDACJIPHKML-RFZPGFLSSA-N 1 0 103.165 0.105 50 0 ACAARO CC1CCN(C(=O)CC[NH3+])CC1 11755116 343024654 /nfs/dbraw/zinc/02/46/54/343024654.db2.gz SUMVCYJPLVVMKQ-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 in-vitro ACAARO CCCCNC(=O)[C@@H]1CCC[NH2+]1 11754365 343024655 /nfs/dbraw/zinc/02/46/55/343024655.db2.gz RLBYLDGJTSPAEL-QMMMGPOBSA-N 1 0 170.256 0.655 50 0 ACAARO C[NH+](C)CCNC(=O)c1ccco1 13632893 343036885 /nfs/dbraw/zinc/03/68/85/343036885.db2.gz OPJAUGSFRCCPIB-UHFFFAOYSA-N 1 0 182.223 0.571 50 0 ACAARO CC1([NH3+])CCC1 14628922 343039579 /nfs/dbraw/zinc/03/95/79/343039579.db2.gz ZAXBVBGWLMVNJN-UHFFFAOYSA-N 1 0 85.150 0.888 50 0 in-vitro ACAARO Cc1nnc([C@@H](C)[NH3+])[nH]1 14807568 343040227 /nfs/dbraw/zinc/04/02/27/343040227.db2.gz RVFCWTOXJWOHRS-GSVOUGTGSA-N 1 0 126.163 0.133 50 0 in-vitro ACAARO O=C1CCC[C@H]2[C@@H]3C[NH2+]C[C@@H](C3)CN12 14722944 343040290 /nfs/dbraw/zinc/04/02/90/343040290.db2.gz KWVYCGMBGRYVQH-UTLUCORTSA-N 1 0 194.278 0.607 50 0 biogenic ACAARO CC[C@H](O)[C@H](C)[NH3+] 13356348 343034249 /nfs/dbraw/zinc/03/42/49/343034249.db2.gz JPGZDACJIPHKML-WHFBIAKZSA-N 1 0 103.165 0.105 50 0 ACAARO CC[C@@H](O)[C@H](C)[NH3+] 13356351 343034254 /nfs/dbraw/zinc/03/42/54/343034254.db2.gz JPGZDACJIPHKML-CRCLSJGQSA-N 1 0 103.165 0.105 50 0 ACAARO CCCCC(=O)N(C)CC[NH2+]C 15443533 343042113 /nfs/dbraw/zinc/04/21/13/343042113.db2.gz HUGHLSZLUJKZGF-UHFFFAOYSA-N 1 0 172.272 0.854 50 0 in-vitro ACAARO C[C@H]1CC[NH+]=C(N)S1 15446576 343042137 /nfs/dbraw/zinc/04/21/37/343042137.db2.gz BATVOUKHGLKDGQ-BYPYZUCNSA-N 1 0 130.216 0.827 50 0 in-vivo ACAARO Cc1ncc2c(n1)C[NH2+]C2 18531882 343048895 /nfs/dbraw/zinc/04/88/95/343048895.db2.gz RAAFDHOWTMRUEA-UHFFFAOYSA-N 1 0 135.170 0.388 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@@H](CO)C1CC1 18614460 343048906 /nfs/dbraw/zinc/04/89/06/343048906.db2.gz HITUQCSFEYRGKE-IUCAKERBSA-N 1 0 155.241 0.742 50 0 ACAARO Cc1cc2c(cn1)C[NH2+]C2 18531837 343048919 /nfs/dbraw/zinc/04/89/19/343048919.db2.gz HBTILVDMCCFBMF-UHFFFAOYSA-N 1 0 134.182 0.993 50 0 ACAARO [NH3+][C@H](C1CC1)[C@@H](CO)C1CC1 18614464 343048923 /nfs/dbraw/zinc/04/89/23/343048923.db2.gz HITUQCSFEYRGKE-DTWKUNHWSA-N 1 0 155.241 0.742 50 0 ACAARO CC[C@@H]1COCC[NH2+]1 19091133 343050151 /nfs/dbraw/zinc/05/01/51/343050151.db2.gz JBQWQBSRIAGTJT-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH2+]CCCn1cccn1 19091040 343050328 /nfs/dbraw/zinc/05/03/28/343050328.db2.gz GIGRBVGROITPDQ-UHFFFAOYSA-N 1 0 139.202 0.493 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])c1ncnn1C 19091723 343050608 /nfs/dbraw/zinc/05/06/08/343050608.db2.gz LUTYSHHATVYMSC-ZCFIWIBFSA-N 1 0 154.217 0.471 50 0 ACAARO Cc1c[nH]c(C[NH3+])n1 19093454 343051032 /nfs/dbraw/zinc/05/10/32/343051032.db2.gz WNGIFGULXSOHIO-UHFFFAOYSA-N 1 0 111.148 0.177 50 0 in-vitro ACAARO CC(C)[NH2+]Cc1cnn(C)c1 19093477 343051052 /nfs/dbraw/zinc/05/10/52/343051052.db2.gz NCQZOTZKSQUJRS-UHFFFAOYSA-N 1 0 153.229 0.918 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1ncnn1CC 19092966 343051067 /nfs/dbraw/zinc/05/10/67/343051067.db2.gz DEJVXGNMEHLRIV-ZCFIWIBFSA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO C[N@@H+]1CCc2[nH]c(=S)ncc2C1 19093657 343051069 /nfs/dbraw/zinc/05/10/69/343051069.db2.gz XCOGLBZBMDMFFP-UHFFFAOYSA-N 1 0 181.264 0.753 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ccncn1 19093487 343051072 /nfs/dbraw/zinc/05/10/72/343051072.db2.gz OCZUDXKITNRVEH-YFKPBYRVSA-N 1 0 123.159 0.496 50 0 ACAARO CC[C@H]([NH3+])c1ncnn1CC 19092968 343051076 /nfs/dbraw/zinc/05/10/76/343051076.db2.gz DEJVXGNMEHLRIV-LURJTMIESA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO CCc1cc(C[NH2+]C)on1 19093383 343051194 /nfs/dbraw/zinc/05/11/94/343051194.db2.gz IBBOUUNNDKQJGE-UHFFFAOYSA-N 1 0 140.186 0.956 50 0 in-vitro ACAARO Cc1cc(=O)[nH]c([C@H]2CCC[NH2+]C2)n1 19118189 343051553 /nfs/dbraw/zinc/05/15/53/343051553.db2.gz LYHHOFKJUMPEBV-QMMMGPOBSA-N 1 0 193.250 0.545 50 0 ACAARO Cc1cc(=O)[nH]c([C@@H]2CCC[NH2+]C2)n1 19118186 343051558 /nfs/dbraw/zinc/05/15/58/343051558.db2.gz LYHHOFKJUMPEBV-MRVPVSSYSA-N 1 0 193.250 0.545 50 0 ACAARO Cc1cc(CN2CC[NH2+]CC2)no1 19230068 343051943 /nfs/dbraw/zinc/05/19/43/343051943.db2.gz PHLMNRYXLHHLJG-UHFFFAOYSA-N 1 0 181.239 0.388 50 0 in-vitro ACAARO Cc1cc(C)cc(C(=O)NCC[NH3+])c1 19257527 343051963 /nfs/dbraw/zinc/05/19/63/343051963.db2.gz WKFPTTKVEOOXMX-UHFFFAOYSA-N 1 0 192.262 0.992 50 0 ACAARO CN(C)CC[NH+](C)C 19230126 343051964 /nfs/dbraw/zinc/05/19/64/343051964.db2.gz KWYHDKDOAIKMQN-UHFFFAOYSA-N 1 0 116.208 0.110 50 0 in-vitro ACAARO C[N@@H+]1CCc2nc(N)sc2C1 19229986 343051975 /nfs/dbraw/zinc/05/19/75/343051975.db2.gz SAFPFEWXCCYGOX-UHFFFAOYSA-N 1 0 169.253 0.713 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1ccccc1OC 19276279 343052418 /nfs/dbraw/zinc/05/24/18/343052418.db2.gz CUTKJIFVPGQEOE-UHFFFAOYSA-N 1 0 194.234 0.853 50 0 ACAARO CCCC(=O)NC[C@H]1CCC[NH2+]C1 19276705 343052598 /nfs/dbraw/zinc/05/25/98/343052598.db2.gz UMHKNAGCZCXRJD-VIFPVBQESA-N 1 0 184.283 0.902 50 0 in-vitro ACAARO Cc1nc([C@H]2CC[NH2+]C2)cc(=O)[nH]1 19285289 343052954 /nfs/dbraw/zinc/05/29/54/343052954.db2.gz SGMNPZXHXHPCJA-ZETCQYMHSA-N 1 0 179.223 0.155 50 0 ACAARO CC[C@@]1(C)C[C@]2(CCO1)C[NH2+]CCN2 19363345 343053146 /nfs/dbraw/zinc/05/31/46/343053146.db2.gz ROHPOJQPAAMVIN-WDEREUQCSA-N 1 0 198.310 0.897 50 0 biogenic ACAARO CC[C@@]1(C)C[C@@]2(CCO1)C[NH2+]CCN2 19363343 343053465 /nfs/dbraw/zinc/05/34/65/343053465.db2.gz ROHPOJQPAAMVIN-QWRGUYRKSA-N 1 0 198.310 0.897 50 0 ACAARO CCCCC(=O)N1CC[NH2+]CC1 19385036 343053972 /nfs/dbraw/zinc/05/39/72/343053972.db2.gz ANEMDFCFHXKSHF-UHFFFAOYSA-N 1 0 170.256 0.608 50 0 ACAARO CCCC(=O)N[C@@H]1CCC[NH2+]C1 19398130 343053980 /nfs/dbraw/zinc/05/39/80/343053980.db2.gz JBTMXZAUERTTFX-MRVPVSSYSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CNC(=O)COc1cccc(C[NH3+])c1 19392254 343053984 /nfs/dbraw/zinc/05/39/84/343053984.db2.gz YDOXBMOFHMCMLP-UHFFFAOYSA-N 1 0 194.234 0.270 50 0 ACAARO Cc1nn(C)c2c1C[C@H]([NH3+])CN2 19408125 343054325 /nfs/dbraw/zinc/05/43/25/343054325.db2.gz KAIJJBGBXLAITA-LURJTMIESA-N 1 0 166.228 0.024 50 0 ACAARO CCCNC(=O)[C@H]1CCC[NH2+]C1 19410755 343054409 /nfs/dbraw/zinc/05/44/09/343054409.db2.gz AGGOHJGXWYGROI-QMMMGPOBSA-N 1 0 170.256 0.512 50 0 in-vitro ACAARO CC[C@](C)(C[NH3+])N1CCOCC1 19413947 343054413 /nfs/dbraw/zinc/05/44/13/343054413.db2.gz RNGALZNABGSEIF-SECBINFHSA-N 1 0 172.272 0.446 50 0 in-vitro ACAARO CN(C)[C@@]1(C[NH3+])CCSC1 19436341 343055225 /nfs/dbraw/zinc/05/52/25/343055225.db2.gz QSPJOBDYLWKZPW-SSDOTTSWSA-N 1 0 160.286 0.382 50 0 in-vitro ACAARO CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 19519623 343057702 /nfs/dbraw/zinc/05/77/02/343057702.db2.gz HWWVYDNMIAEGFM-MRVPVSSYSA-N 1 0 170.256 0.592 50 0 ACAARO CCCNC(=O)C(C)(C)[NH3+] 19672317 343058195 /nfs/dbraw/zinc/05/81/95/343058195.db2.gz DTYLXSNQBWYMTN-UHFFFAOYSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CCC[NH2+]CCC(=O)OCC 19736926 343059380 /nfs/dbraw/zinc/05/93/80/343059380.db2.gz LQWPGIJZDZKYQD-UHFFFAOYSA-N 1 0 159.229 0.939 50 0 in-vitro ACAARO Cc1cccnc1CN1CC[NH2+]CC1 19735744 343059543 /nfs/dbraw/zinc/05/95/43/343059543.db2.gz FHLLKFAMAJDZIE-UHFFFAOYSA-N 1 0 191.278 0.795 50 0 in-vitro ACAARO Cc1c[nH]c(CC[NH3+])n1 19737050 343060031 /nfs/dbraw/zinc/06/00/31/343060031.db2.gz QADXALVFVOKVJB-UHFFFAOYSA-N 1 0 125.175 0.219 50 0 in-vitro ACAARO C[C@H]1CCC[N@H+](CCO)C1 19785892 343060458 /nfs/dbraw/zinc/06/04/58/343060458.db2.gz CAMLJDZKPYMXOK-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 ACAARO Cc1nnc(C2CC[NH2+]CC2)o1 19780340 343060470 /nfs/dbraw/zinc/06/04/70/343060470.db2.gz NEHQWJALQCSBBX-UHFFFAOYSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 19475146 343055656 /nfs/dbraw/zinc/05/56/56/343055656.db2.gz RHRGYSCEYCBJMG-YUMQZZPRSA-N 1 0 170.256 0.592 50 0 ACAARO C[NH2+]CC(=O)N1CCCC[C@@H]1C 19486712 343056041 /nfs/dbraw/zinc/05/60/41/343056041.db2.gz ZIBDYZPPTTYORP-QMMMGPOBSA-N 1 0 170.256 0.607 50 0 ACAARO CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 19476404 343056044 /nfs/dbraw/zinc/05/60/44/343056044.db2.gz BXCGVAOWUFKCRN-JTQLQIEISA-N 1 0 192.262 0.645 50 0 in-vitro ACAARO C[NH2+]CC(=O)N1CCC[C@H](C)C1 19476309 343056047 /nfs/dbraw/zinc/05/60/47/343056047.db2.gz RCSTXUPIAHXWGB-QMMMGPOBSA-N 1 0 170.256 0.464 50 0 ACAARO CC[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C 19478752 343056056 /nfs/dbraw/zinc/05/60/56/343056056.db2.gz PJSLBNWKRDGEAM-YUMQZZPRSA-N 1 0 172.272 0.884 50 0 ACAARO Cc1csc(NC(=O)CC[NH3+])n1 19515132 343057239 /nfs/dbraw/zinc/05/72/39/343057239.db2.gz BBICGJTVKAZOIN-UHFFFAOYSA-N 1 0 185.252 0.739 50 0 ACAARO CC(C)[C@@H]([NH3+])C(=O)NCc1ccco1 19513275 343057264 /nfs/dbraw/zinc/05/72/64/343057264.db2.gz HFPQKDXEWFLZOA-SECBINFHSA-N 1 0 196.250 0.879 50 0 ACAARO C[NH+]1CCN(Cc2ccc[nH]2)CC1 19642292 343057647 /nfs/dbraw/zinc/05/76/47/343057647.db2.gz WAHFAFBDXFGPFA-UHFFFAOYSA-N 1 0 179.267 0.762 50 0 ACAARO CN(C)[C@H]1CCCC[NH2+]C1 19947718 343064910 /nfs/dbraw/zinc/06/49/10/343064910.db2.gz RRKCNYMLYVVFAP-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CCn1cc(CNCC[NH3+])c(C)n1 19957636 343065305 /nfs/dbraw/zinc/06/53/05/343065305.db2.gz QLOOCPDYZDPLJK-UHFFFAOYSA-N 1 0 182.271 0.260 50 0 ACAARO CCC(CC)[NH2+]CC(=O)N(C)C 20037212 343066235 /nfs/dbraw/zinc/06/62/35/343066235.db2.gz STFHBMBVJHFNPM-UHFFFAOYSA-N 1 0 172.272 0.853 50 0 ACAARO CC(C)c1nccn1CC[NH3+] 20030572 343066239 /nfs/dbraw/zinc/06/62/39/343066239.db2.gz IEOTWFHRFWAMJR-UHFFFAOYSA-N 1 0 153.229 0.965 50 0 in-vitro ACAARO CN(C)C(=O)C[NH2+]Cc1ccccc1 20038296 343066241 /nfs/dbraw/zinc/06/62/41/343066241.db2.gz FLQLXQKNQHVNDZ-UHFFFAOYSA-N 1 0 192.262 0.864 50 0 ACAARO CC(C)[C@@H]([NH3+])CN(C)C 20074027 343066656 /nfs/dbraw/zinc/06/66/56/343066656.db2.gz ZKUQESYHKKBVDE-ZETCQYMHSA-N 1 0 130.235 0.531 50 0 in-vitro ACAARO C[NH2+]CCN1C[C@@H](C)O[C@H](C)C1 20071786 343066660 /nfs/dbraw/zinc/06/66/60/343066660.db2.gz ZAMMKCCLXWJERE-RKDXNWHRSA-N 1 0 172.272 0.315 50 0 ACAARO C[C@H]1CN(C[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 20071729 343066665 /nfs/dbraw/zinc/06/66/65/343066665.db2.gz PJIJYQDLQDIDLD-AXFHLTTASA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO C[NH2+]CCN1C[C@H](C)O[C@H](C)C1 20071780 343066683 /nfs/dbraw/zinc/06/66/83/343066683.db2.gz ZAMMKCCLXWJERE-DTORHVGOSA-N 1 0 172.272 0.315 50 0 in-vitro ACAARO CCC[NH2+]CC(=O)N(C)C 20056527 343066698 /nfs/dbraw/zinc/06/66/98/343066698.db2.gz YXADZTBSPDCZKS-UHFFFAOYSA-N 1 0 144.218 0.074 50 0 in-vitro ACAARO Cc1ccncc1C[NH3+] 20357681 343072037 /nfs/dbraw/zinc/07/20/37/343072037.db2.gz VLIQJGACTLGWCQ-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ncccn1 20441619 343073567 /nfs/dbraw/zinc/07/35/67/343073567.db2.gz GVPDKCZQAZOFJX-YFKPBYRVSA-N 1 0 123.159 0.496 50 0 ACAARO C[C@H]([NH3+])c1cncnc1 20441652 343073572 /nfs/dbraw/zinc/07/35/72/343073572.db2.gz GWCPZMRPJBYIFM-YFKPBYRVSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO Cc1ccnc([C@H](C)[NH3+])n1 20441628 343073575 /nfs/dbraw/zinc/07/35/75/343073575.db2.gz SSYSTZPVHCQERL-LURJTMIESA-N 1 0 137.186 0.805 50 0 ACAARO C[N@@H+]1[C@H]2CCC[C@@H]1[C@@H](O)C2 20859514 343074839 /nfs/dbraw/zinc/07/48/39/343074839.db2.gz PZPVPVJLCPBGRW-RNJXMRFFSA-N 1 0 141.214 0.604 50 0 ACAARO C[N@@H+]1CCC[C@H](O)CC1 21298466 343075187 /nfs/dbraw/zinc/07/51/87/343075187.db2.gz GLXOHWLGZMRLRM-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO C[C@H]1NCC[N@@H+]2CCC[C@@H]12 20999725 343075237 /nfs/dbraw/zinc/07/52/37/343075237.db2.gz JTFHNFCIQLHQAY-SFYZADRCSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO CC1(C)[NH2+][C@@H]2CCCC[C@@H]2NC1=O 22173950 343080404 /nfs/dbraw/zinc/08/04/04/343080404.db2.gz WCIJYVHCHODWEJ-JGVFFNPUSA-N 1 0 182.267 0.796 50 0 in-vitro ACAARO CN1CC[NH+]([C@@H]2CCSC2)CC1 22586943 343081655 /nfs/dbraw/zinc/08/16/55/343081655.db2.gz HLTFNMSHGMDKJD-SECBINFHSA-N 1 0 186.324 0.739 50 0 ACAARO CC[C@]1(C)C[C@]2(CCO1)C[NH2+]CCN2 22593610 343081930 /nfs/dbraw/zinc/08/19/30/343081930.db2.gz ROHPOJQPAAMVIN-GHMZBOCLSA-N 1 0 198.310 0.897 50 0 ACAARO C[C@H](O)C[NH2+]Cc1nccs1 22861964 343082372 /nfs/dbraw/zinc/08/23/72/343082372.db2.gz ZKYIAKPEKJZRFE-LURJTMIESA-N 1 0 172.253 0.614 50 0 ACAARO Cc1cnc(C[NH2+]CCCO)s1 22862379 343082463 /nfs/dbraw/zinc/08/24/63/343082463.db2.gz CVGIJNNGJDHTFO-UHFFFAOYSA-N 1 0 186.280 0.924 50 0 ACAARO CC[C@H](C[NH3+])N(C)C 23066197 343082894 /nfs/dbraw/zinc/08/28/94/343082894.db2.gz QYMUENUCKRLOTB-ZCFIWIBFSA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO CC(C)[C@H](C[NH3+])N1CCOCC1 22921483 343082932 /nfs/dbraw/zinc/08/29/32/343082932.db2.gz KUZCEYDTUIJKLG-VIFPVBQESA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 22936010 343082980 /nfs/dbraw/zinc/08/29/80/343082980.db2.gz QKAMIGVRCHNECO-VHSXEESVSA-N 1 0 184.283 0.147 50 0 in-vitro ACAARO C[C@H]1CN(C(C)(C)C[NH3+])C[C@H](C)O1 22921441 343082982 /nfs/dbraw/zinc/08/29/82/343082982.db2.gz OTOBTLZVXNJQAW-IUCAKERBSA-N 1 0 186.299 0.833 50 0 in-vitro ACAARO CN1CC[NH2+]CC1(C)C 23094206 343083416 /nfs/dbraw/zinc/08/34/16/343083416.db2.gz RFAPOGMFZTYBEW-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])c1cccnc1 23363454 343083419 /nfs/dbraw/zinc/08/34/19/343083419.db2.gz PEQPPVGTDBKQPE-SECBINFHSA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO CN1CC[C@@]2(CCC[NH2+]C2)C1=O 23508767 343083915 /nfs/dbraw/zinc/08/39/15/343083915.db2.gz LWGBOQLUNPTPFH-SECBINFHSA-N 1 0 168.240 0.218 50 0 ACAARO C[C@@]1(C2CC2)COCC[NH2+]1 23789582 343083936 /nfs/dbraw/zinc/08/39/36/343083936.db2.gz JYWQUNJJKAOYAR-QMMMGPOBSA-N 1 0 141.214 0.775 50 0 ACAARO c1cnc2c(c1)OCC[NH2+]C2 23671002 343083948 /nfs/dbraw/zinc/08/39/48/343083948.db2.gz GCODEMBJCAEKNJ-UHFFFAOYSA-N 1 0 150.181 0.564 50 0 ACAARO CN(C)CC[N@H+](C)[C@@H]1CCSC1 23550026 343083961 /nfs/dbraw/zinc/08/39/61/343083961.db2.gz MHEFUSLDOIOQKY-SECBINFHSA-N 1 0 188.340 0.985 50 0 ACAARO CC(C)N1CCC2(CC[NH2+]CC2)C1=O 23508802 343083968 /nfs/dbraw/zinc/08/39/68/343083968.db2.gz CIQSILGSVXSCIF-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO CN(C)CC[N@H+](C)[C@H]1CCSC1 23550027 343083977 /nfs/dbraw/zinc/08/39/77/343083977.db2.gz MHEFUSLDOIOQKY-VIFPVBQESA-N 1 0 188.340 0.985 50 0 ACAARO C[C@]1(C2CC2)COCC[NH2+]1 23789584 343084015 /nfs/dbraw/zinc/08/40/15/343084015.db2.gz JYWQUNJJKAOYAR-MRVPVSSYSA-N 1 0 141.214 0.775 50 0 ACAARO CC(C)[N@H+](CCN)C1CC1 23810739 343084478 /nfs/dbraw/zinc/08/44/78/343084478.db2.gz OHVBKCDWGYTWFH-UHFFFAOYSA-N 1 0 142.246 0.818 50 0 in-vitro ACAARO C[C@H]1C[C@@H]([NH3+])CN1C1CC1 23844648 343084487 /nfs/dbraw/zinc/08/44/87/343084487.db2.gz BXEZDTWKLTUSIV-NKWVEPMBSA-N 1 0 140.230 0.570 50 0 in-vitro ACAARO CCCN(CC[NH3+])C1CC1 23803757 343084512 /nfs/dbraw/zinc/08/45/12/343084512.db2.gz BOTDXKZGQYXZRT-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO C[NH+]1CCC(C(N)=S)CC1 32005839 343095226 /nfs/dbraw/zinc/09/52/26/343095226.db2.gz MHYXWOIIIZRCAJ-UHFFFAOYSA-N 1 0 158.270 0.614 50 0 ACAARO CCCC[N@@H+]1CC[C@@H](N)C1 31996451 343095233 /nfs/dbraw/zinc/09/52/33/343095233.db2.gz WZQVWDRDYHYXBG-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 ACAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1 26472109 343088718 /nfs/dbraw/zinc/08/87/18/343088718.db2.gz VJSUDAXXXXTREH-DTWKUNHWSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO C[NH2+]CC(=O)NCc1cccs1 26475986 343088785 /nfs/dbraw/zinc/08/87/85/343088785.db2.gz KIRHOFNHFIIWTR-UHFFFAOYSA-N 1 0 184.264 0.584 50 0 ACAARO CCc1cc(C[NH3+])[nH]n1 26547201 343090444 /nfs/dbraw/zinc/09/04/44/343090444.db2.gz QBUQWOXNOUFIGB-UHFFFAOYSA-N 1 0 125.175 0.431 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1cc[nH]c1 26663631 343090460 /nfs/dbraw/zinc/09/04/60/343090460.db2.gz XMTHAWZPEGHZPK-LURJTMIESA-N 1 0 124.187 0.904 50 0 ACAARO CCCCC[C@@H](O)C[NH3+] 26895231 343090850 /nfs/dbraw/zinc/09/08/50/343090850.db2.gz QLELJGOOIWJCOZ-SSDOTTSWSA-N 1 0 131.219 0.886 50 0 ACAARO CC[C@H]1C[NH2+][C@H](CC)CN1 32219262 343101173 /nfs/dbraw/zinc/10/11/73/343101173.db2.gz JIAOVIBEPXQRNK-OCAPTIKFSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO CC(C)NC(=O)C[NH+]1CCCC1 32642352 343103047 /nfs/dbraw/zinc/10/30/47/343103047.db2.gz VZKYFJQZMLDYED-UHFFFAOYSA-N 1 0 170.256 0.607 50 0 ACAARO CC1CC[NH+]([C@@H](C)C(N)=O)CC1 32023543 343097172 /nfs/dbraw/zinc/09/71/72/343097172.db2.gz HUBXBOUOLUITDJ-QMMMGPOBSA-N 1 0 170.256 0.592 50 0 ACAARO C[C@]1(O)CCCC[C@H]1C[NH3+] 32098962 343097176 /nfs/dbraw/zinc/09/71/76/343097176.db2.gz WZVYVHUIYKLCBC-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@@H]1N[C@H](C)C[NH2+][C@@H]1C 33950781 343108102 /nfs/dbraw/zinc/10/81/02/343108102.db2.gz OMEMBAXECFIRSG-QYNIQEEDSA-N 1 0 128.219 0.345 50 0 ACAARO C[C@@H]1N[C@H](C)C[NH2+][C@H]1C 33950783 343108138 /nfs/dbraw/zinc/10/81/38/343108138.db2.gz OMEMBAXECFIRSG-VQVTYTSYSA-N 1 0 128.219 0.345 50 0 ACAARO C[NH2+]CCNCc1ccccc1 32629249 343103212 /nfs/dbraw/zinc/10/32/12/343103212.db2.gz HUQLOABSMDKQBW-UHFFFAOYSA-N 1 0 164.252 0.996 50 0 in-vitro ACAARO C[C@H]1CN(C)[C@H](C)C[NH2+]1 32915050 343103918 /nfs/dbraw/zinc/10/39/18/343103918.db2.gz CDHYSFKPWCVXHZ-NKWVEPMBSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO CC1=NO[C@](C)(C[NH3+])C1 33414647 343104584 /nfs/dbraw/zinc/10/45/84/343104584.db2.gz GDFCBGWOVRCZAD-LURJTMIESA-N 1 0 128.175 0.500 50 0 ACAARO C[N@@H+]1CCC[C@H](C2OCCO2)C1 34091008 343110325 /nfs/dbraw/zinc/11/03/25/343110325.db2.gz PDZDWPHCSFLQAB-QMMMGPOBSA-N 1 0 171.240 0.701 50 0 in-vitro ACAARO Cc1cn(CCC[NH3+])cn1 34439392 343119394 /nfs/dbraw/zinc/11/93/94/343119394.db2.gz BJQQCZZHUZGXKN-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 ACAARO [NH3+]C1(CCCO)CC1 34265788 343114983 /nfs/dbraw/zinc/11/49/83/343114983.db2.gz NRPKAIWKJLKCAF-UHFFFAOYSA-N 1 0 115.176 0.250 50 0 ACAARO C[C@H](O)[C@@H]1CCC[NH2+]1 34278484 343115350 /nfs/dbraw/zinc/11/53/50/343115350.db2.gz IEBYUZARWOFDSE-WDSKDSINSA-N 1 0 115.176 0.119 50 0 ACAARO CCC1(CC[NH3+])OCCO1 34566767 343122226 /nfs/dbraw/zinc/12/22/26/343122226.db2.gz XBJOWTKIJYWPTA-UHFFFAOYSA-N 1 0 145.202 0.488 50 0 in-vitro ACAARO CC1(O)CC[NH2+]CC1 34616879 343123390 /nfs/dbraw/zinc/12/33/90/343123390.db2.gz CXBLQEIODBBSQD-UHFFFAOYSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[C@H]1CN(CCC(N)=[NH2+])C[C@H](C)O1 34651139 343124151 /nfs/dbraw/zinc/12/41/51/343124151.db2.gz QMZHYAVIOCGEBN-YUMQZZPRSA-N 1 0 185.271 0.422 50 0 in-vitro ACAARO CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 34933811 343126062 /nfs/dbraw/zinc/12/60/62/343126062.db2.gz FPGCNHBNSLPKMJ-JTQLQIEISA-N 1 0 190.246 0.447 50 0 ACAARO Cc1cnc(C[NH3+])nc1 34963984 343126765 /nfs/dbraw/zinc/12/67/65/343126765.db2.gz SGSZFTVNOSOSQE-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CCCC[C@H]([NH3+])[C@@H](C)O 34467459 343119803 /nfs/dbraw/zinc/11/98/03/343119803.db2.gz NZNMGQIZVLTFIQ-RQJHMYQMSA-N 1 0 131.219 0.885 50 0 ACAARO C[N@H+](CCO)C1CC1 35649859 343135505 /nfs/dbraw/zinc/13/55/05/343135505.db2.gz OSLUBCFDADJJFO-UHFFFAOYSA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO Cc1ccc([C@H](N)C[NH3+])o1 35677098 343136503 /nfs/dbraw/zinc/13/65/03/343136503.db2.gz HVRFFLOYIZGOTK-ZCFIWIBFSA-N 1 0 140.186 0.547 50 0 in-vitro ACAARO CC[C@H](C)[N@@H+]1CC[C@H](N)C1 36091774 343140581 /nfs/dbraw/zinc/14/05/81/343140581.db2.gz UYZDDPIZRFTWMM-YUMQZZPRSA-N 1 0 142.246 0.818 50 0 ACAARO CC1(C)C[N@H+](CCO)CCO1 36232939 343142362 /nfs/dbraw/zinc/14/23/62/343142362.db2.gz RCXHBDYSIIVSHV-UHFFFAOYSA-N 1 0 159.229 0.090 50 0 ACAARO Cc1ccc2nnc(C[NH3+])n2c1 36240499 343142882 /nfs/dbraw/zinc/14/28/82/343142882.db2.gz KXEMSNHNTOVJHS-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 ACAARO Cc1cccn2c(CC[NH3+])nnc12 36240479 343142900 /nfs/dbraw/zinc/14/29/00/343142900.db2.gz CGSQZZPEMBEGHE-UHFFFAOYSA-N 1 0 176.223 0.539 50 0 ACAARO Cc1n[nH]cc1C[NH2+][C@@H](C)CO 36901751 343153602 /nfs/dbraw/zinc/15/36/02/343153602.db2.gz RTEGGKHVTAVZQY-LURJTMIESA-N 1 0 169.228 0.189 50 0 ACAARO CC[C@H](C)[N@H+](C)CCN 37109523 343159755 /nfs/dbraw/zinc/15/97/55/343159755.db2.gz BKUIZZSXNHURBW-ZETCQYMHSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CCCN(C)CC[NH3+] 37097917 343159840 /nfs/dbraw/zinc/15/98/40/343159840.db2.gz MEZKKZTWNNWYBQ-UHFFFAOYSA-N 1 0 116.208 0.287 50 0 ACAARO CC[C@@H]1CCCCN1C(=O)C[NH2+]C 37022410 343157375 /nfs/dbraw/zinc/15/73/75/343157375.db2.gz SBCVYJRPZBKSQP-SECBINFHSA-N 1 0 184.283 0.997 50 0 ACAARO C[NH2+]CCN(C)C1CC1 37081283 343158342 /nfs/dbraw/zinc/15/83/42/343158342.db2.gz FMDWGIIUYHHDJZ-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH2+]C1CCN(C2CC2)CC1 37241637 343163854 /nfs/dbraw/zinc/16/38/54/343163854.db2.gz BFKLYKRCRPMUCU-UHFFFAOYSA-N 1 0 154.257 0.833 50 0 ACAARO Cc1cccc(NCC[NH3+])n1 37870886 343178905 /nfs/dbraw/zinc/17/89/05/343178905.db2.gz DIISTLIQPFNXIB-UHFFFAOYSA-N 1 0 151.213 0.761 50 0 in-vitro ACAARO C[C@H]1CCC[N@@H+]1CCO 38000088 343182930 /nfs/dbraw/zinc/18/29/30/343182930.db2.gz CTINRKGSNIHQMR-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 ACAARO C[NH2+]CC[C@H]1CCCO1 38097262 343184925 /nfs/dbraw/zinc/18/49/25/343184925.db2.gz KHXLJWOBDMGMCQ-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO Cc1cccc([C@H]([NH3+])CO)c1 38124648 343185263 /nfs/dbraw/zinc/18/52/63/343185263.db2.gz RJJLTGSKFNJQCZ-SECBINFHSA-N 1 0 151.209 0.987 50 0 ACAARO C[C@H]1CCC[C@@]([NH3+])(CO)C1 38124455 343185322 /nfs/dbraw/zinc/18/53/22/343185322.db2.gz YTPOIYYEEUZISJ-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@]([NH3+])(CO)c1ccc(O)cc1 38124560 343185334 /nfs/dbraw/zinc/18/53/34/343185334.db2.gz SGVBDDXPJFOINL-VIFPVBQESA-N 1 0 167.208 0.558 50 0 in-vitro ACAARO CC1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 38343371 343187796 /nfs/dbraw/zinc/18/77/96/343187796.db2.gz AJPSDOLVFRJEID-DHBOJHSNSA-N 1 0 141.214 0.652 50 0 ACAARO CC1=NN=C(N2CC[NH2+]CC2)SC1 38478392 343188632 /nfs/dbraw/zinc/18/86/32/343188632.db2.gz UMFZOJLAVOSHQH-UHFFFAOYSA-N 1 0 198.295 0.370 50 0 ACAARO CN(C)C[C@@H]1CCCC[NH2+]1 38193761 343185719 /nfs/dbraw/zinc/18/57/19/343185719.db2.gz TVQYLBWVRBQOGI-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CN(CCO)c1cc[nH+]cc1 38809999 343190696 /nfs/dbraw/zinc/19/06/96/343190696.db2.gz KEWPEFNJPOHWTD-UHFFFAOYSA-N 1 0 152.197 0.510 50 0 ACAARO C[C@H]1CCN(C)CC[NH2+]1 38864334 343191512 /nfs/dbraw/zinc/19/15/12/343191512.db2.gz YXHIPTFPIOGDBW-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CN1CC[NH2+][C@@H](C(C)(C)C)C1 39113571 343199995 /nfs/dbraw/zinc/19/99/95/343199995.db2.gz JUYGOAGUPDFXFA-MRVPVSSYSA-N 1 0 156.273 0.936 50 0 ACAARO CN1CC[NH2+][C@H](C(C)(C)C)C1 39113570 343200022 /nfs/dbraw/zinc/20/00/22/343200022.db2.gz JUYGOAGUPDFXFA-QMMMGPOBSA-N 1 0 156.273 0.936 50 0 ACAARO Cc1c[nH]c2nc(N)[nH+]c(N)c12 39116154 343201635 /nfs/dbraw/zinc/20/16/35/343201635.db2.gz SJAHHPKPEWRAMH-UHFFFAOYSA-N 1 0 163.184 0.431 50 0 in-vitro ACAARO CC1(C)C[C@@](C)([NH3+])C(=O)O1 39072786 343196328 /nfs/dbraw/zinc/19/63/28/343196328.db2.gz PSNZNUVVVCXRNM-SSDOTTSWSA-N 1 0 143.186 0.429 50 0 ACAARO C[C@H]1C(=O)C2CC[NH+]1CC2 39217046 343206396 /nfs/dbraw/zinc/20/63/96/343206396.db2.gz LGOHLIRGPFPGKT-LURJTMIESA-N 1 0 139.198 0.670 50 0 ACAARO CC1(C)C[NH2+]CC(C)(C)N1 39270110 343209367 /nfs/dbraw/zinc/20/93/67/343209367.db2.gz ADVWVIQNAOXLCV-UHFFFAOYSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO C[C@H]([NH3+])CCCCO 39284929 343209787 /nfs/dbraw/zinc/20/97/87/343209787.db2.gz OLHAHFKZASPGCF-LURJTMIESA-N 1 0 117.192 0.496 50 0 ACAARO C[C@]1(O)CCC[C@H]1[NH3+] 39224690 343207167 /nfs/dbraw/zinc/20/71/67/343207167.db2.gz KKBCPZUWBKCECT-RITPCOANSA-N 1 0 115.176 0.249 50 0 ACAARO CN(C)[C@H]1CCC[C@@H]1[NH3+] 40162786 343215264 /nfs/dbraw/zinc/21/52/64/343215264.db2.gz VCJNAZAMCYBDCP-BQBZGAKWSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO Cc1cc(N)cn[nH+]1 40546730 343220187 /nfs/dbraw/zinc/22/01/87/343220187.db2.gz VINQTTYFIBEQCY-UHFFFAOYSA-N 1 0 109.132 0.367 50 0 ACAARO CC(C)NC(=O)N1CCC[C@@H]([NH3+])C1 41028700 343225777 /nfs/dbraw/zinc/22/57/77/343225777.db2.gz SVDLSVYPMDRYMR-MRVPVSSYSA-N 1 0 185.271 0.528 50 0 ACAARO CC[C@H](C)[C@@H](O)C[NH3+] 41050388 343227451 /nfs/dbraw/zinc/22/74/51/343227451.db2.gz DPHVQNBKFLZZJA-WDSKDSINSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CN(C)c1cc[nH+]c(CO)c1 40864845 343223609 /nfs/dbraw/zinc/22/36/09/343223609.db2.gz MUWKOLJQHBWLBI-UHFFFAOYSA-N 1 0 152.197 0.640 50 0 ACAARO CNC(=O)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 41363030 343233317 /nfs/dbraw/zinc/23/33/17/343233317.db2.gz OQDNVVQCKWELKM-DTORHVGOSA-N 1 0 184.283 0.710 50 0 ACAARO Cc1noc(CC2CC[NH2+]CC2)n1 42384040 343241183 /nfs/dbraw/zinc/24/11/83/343241183.db2.gz JFWWSIFIEJXLMW-UHFFFAOYSA-N 1 0 181.239 0.920 50 0 ACAARO Cc1nc(CC2CC[NH2+]CC2)no1 42384061 343241214 /nfs/dbraw/zinc/24/12/14/343241214.db2.gz YUNTVXGBYBLEKS-UHFFFAOYSA-N 1 0 181.239 0.920 50 0 in-vitro ACAARO CN(CC1CCOCC1)[C@@H]1CC[NH2+]C1 42783325 343249462 /nfs/dbraw/zinc/24/94/62/343249462.db2.gz HCHMGRIRFKWHEZ-LLVKDONJSA-N 1 0 198.310 0.707 50 0 in-vitro ACAARO CC1(C[NH3+])CC1 43220731 343250880 /nfs/dbraw/zinc/25/08/80/343250880.db2.gz NIJMHZCHTZXLJX-UHFFFAOYSA-N 1 0 85.150 0.745 50 0 in-vitro ACAARO CC(C)[NH2+][C@@H]1CCCNC1 43323673 343251521 /nfs/dbraw/zinc/25/15/21/343251521.db2.gz XAXUUHPCEVNZFT-MRVPVSSYSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO Cn1nccc1CCC[NH3+] 44282028 343263223 /nfs/dbraw/zinc/26/32/23/343263223.db2.gz GGQSBSVBYVTPHI-UHFFFAOYSA-N 1 0 139.202 0.311 50 0 ACAARO CC(C)c1nnc([C@H]2C[NH2+]CCO2)[nH]1 43705455 343259564 /nfs/dbraw/zinc/25/95/64/343259564.db2.gz LHFXYMDEEGINSH-SSDOTTSWSA-N 1 0 196.254 0.589 50 0 in-vitro ACAARO Cc1cccc(C[C@H]([NH3+])CO)n1 44463765 343265775 /nfs/dbraw/zinc/26/57/75/343265775.db2.gz SPCGSHGMBJSPRN-QMMMGPOBSA-N 1 0 166.224 0.252 50 0 ACAARO CC[C@H](C)C[C@H]([NH3+])CO 44463831 343265782 /nfs/dbraw/zinc/26/57/82/343265782.db2.gz HFTBNMIETSNLEF-BQBZGAKWSA-N 1 0 131.219 0.742 50 0 ACAARO CC[C@H](C)C[C@@H]([NH3+])CO 44463833 343265800 /nfs/dbraw/zinc/26/58/00/343265800.db2.gz HFTBNMIETSNLEF-NKWVEPMBSA-N 1 0 131.219 0.742 50 0 ACAARO C[C@H]([NH3+])C[C@@H]1CCOC1 44461673 343265803 /nfs/dbraw/zinc/26/58/03/343265803.db2.gz WLKLSUSLRNERQN-BQBZGAKWSA-N 1 0 129.203 0.760 50 0 ACAARO Cc1ccncc1CC[NH3+] 44371772 343264366 /nfs/dbraw/zinc/26/43/66/343264366.db2.gz UGBWPAWWWLLZIO-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])[C@H](N)C(F)(F)F 47845196 343273125 /nfs/dbraw/zinc/27/31/25/343273125.db2.gz MLZFTSAIBWLDIQ-WHFBIAKZSA-N 1 0 170.178 0.859 50 0 ACAARO CC(C)[C@@H]([NH3+])[C@H](N)C(F)(F)F 47845197 343273157 /nfs/dbraw/zinc/27/31/57/343273157.db2.gz MLZFTSAIBWLDIQ-UHNVWZDZSA-N 1 0 170.178 0.859 50 0 ACAARO Cc1ccncc1C(N)=[NH2+] 47478146 343273166 /nfs/dbraw/zinc/27/31/66/343273166.db2.gz GTVANEVOPLXLQE-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 ACAARO CC[C@@]1(C)C[NH2+]CCO1 47845181 343273175 /nfs/dbraw/zinc/27/31/75/343273175.db2.gz DMUXSRMSHNYAGZ-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO Cc1nc(CCC[NH3+])n[nH]1 48630519 343275034 /nfs/dbraw/zinc/27/50/34/343275034.db2.gz FXVXCWWBFBEURF-UHFFFAOYSA-N 1 0 140.190 0.004 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])c1nnc(N)s1 49584942 343276182 /nfs/dbraw/zinc/27/61/82/343276182.db2.gz HXROHLJMXPFMES-SCSAIBSYSA-N 1 0 172.257 0.776 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1nnc(N)s1 49584940 343276202 /nfs/dbraw/zinc/27/62/02/343276202.db2.gz HXROHLJMXPFMES-BYPYZUCNSA-N 1 0 172.257 0.776 50 0 in-vitro ACAARO CCC(CC)(C[NH3+])CO 50273184 343281156 /nfs/dbraw/zinc/28/11/56/343281156.db2.gz BYUSRVMQEUNYIA-UHFFFAOYSA-N 1 0 131.219 0.744 50 0 in-vitro ACAARO Cc1nc(CNC(N)=[NH2+])cs1 50165487 343278883 /nfs/dbraw/zinc/27/88/83/343278883.db2.gz BBIKUCULTXKFOY-UHFFFAOYSA-N 1 0 170.241 0.435 50 0 ACAARO CCC(CC)C(=O)N1CC[C@@H]([NH3+])C1 50228825 343280243 /nfs/dbraw/zinc/28/02/43/343280243.db2.gz FGKADXLAPPPIMR-SECBINFHSA-N 1 0 184.283 0.982 50 0 ACAARO Cc1cc(O[C@@H]2CC[NH2+]C2)ncn1 51868624 343294623 /nfs/dbraw/zinc/29/46/23/343294623.db2.gz GNJBJAFSKNSHGB-MRVPVSSYSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1cc(OC2CC[NH2+]CC2)ncn1 51865693 343294640 /nfs/dbraw/zinc/29/46/40/343294640.db2.gz CQGDCQIOMQGWFX-UHFFFAOYSA-N 1 0 193.250 0.916 50 0 ACAARO Cc1cc(O[C@H]2CC[NH2+]C2)ncn1 51868626 343294645 /nfs/dbraw/zinc/29/46/45/343294645.db2.gz GNJBJAFSKNSHGB-QMMMGPOBSA-N 1 0 179.223 0.526 50 0 ACAARO C[NH2+]CC(C)(C)OC 51957334 343297310 /nfs/dbraw/zinc/29/73/10/343297310.db2.gz UPQXFVNGCXRRTR-UHFFFAOYSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO C[C@H]1CN(C)[C@@H](C)C[NH2+]1 51971099 343297315 /nfs/dbraw/zinc/29/73/15/343297315.db2.gz CDHYSFKPWCVXHZ-BQBZGAKWSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO CCn1cnnc1[C@@H]1CCC[NH2+]C1 52345252 343306244 /nfs/dbraw/zinc/30/62/44/343306244.db2.gz ZNSVPQLNYYMMGF-MRVPVSSYSA-N 1 0 180.255 0.765 50 0 in-vitro ACAARO CC[C@@](C)([NH3+])COC 53173458 343313309 /nfs/dbraw/zinc/31/33/09/343313309.db2.gz XXELXLVUXCNLEJ-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 ACAARO C[NH2+]CC(C)(C)S(C)(=O)=O 53737701 343315492 /nfs/dbraw/zinc/31/54/92/343315492.db2.gz LSLLJIVCOBRODQ-UHFFFAOYSA-N 1 0 165.258 0.029 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])C1CCCC1 54082048 343318064 /nfs/dbraw/zinc/31/80/64/343318064.db2.gz CZBKBYJCHJYUIZ-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[NH+](C)CCn1nccc1N 54433551 343323755 /nfs/dbraw/zinc/32/37/55/343323755.db2.gz CTYVRRJZIOJNGY-UHFFFAOYSA-N 1 0 154.217 0.027 50 0 in-vitro ACAARO Cc1ccnc(SC2C[NH2+]C2)n1 54931844 343331985 /nfs/dbraw/zinc/33/19/85/343331985.db2.gz CSXPWOMZFXMKMC-UHFFFAOYSA-N 1 0 181.264 0.849 50 0 ACAARO CN1CCC[C@]2(CC[NH2+]C2)C1=O 54956964 343332416 /nfs/dbraw/zinc/33/24/16/343332416.db2.gz GDSSVYWSZYKWQL-SECBINFHSA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO CC1(C)[NH2+]CCN2C(=O)CS[C@H]21 55152992 343334306 /nfs/dbraw/zinc/33/43/06/343334306.db2.gz SZKGBSCQYWWPMO-ZETCQYMHSA-N 1 0 186.280 0.270 50 0 ACAARO CC[C@H](C)[C@@H]1CNCC[NH2+]1 56958712 343336085 /nfs/dbraw/zinc/33/60/85/343336085.db2.gz ZENDJDOEMBDKCK-YUMQZZPRSA-N 1 0 142.246 0.594 50 0 in-vitro ACAARO Cc1nc(C[C@H]2CCC[NH2+]2)no1 57217687 343336106 /nfs/dbraw/zinc/33/61/06/343336106.db2.gz GBSKIOYBLROWRH-SSDOTTSWSA-N 1 0 167.212 0.673 50 0 ACAARO CCO/C=C\[C@@](O)(C[NH3+])C(F)(F)F 56659260 343336111 /nfs/dbraw/zinc/33/61/11/343336111.db2.gz UMACIHMNGIOELS-KGJQDRRLSA-N 1 0 199.172 0.789 50 0 ACAARO C[N@@H+](CC(N)=O)CC1CCCCC1 55351691 343336129 /nfs/dbraw/zinc/33/61/29/343336129.db2.gz BIFSRTZSTDIANU-UHFFFAOYSA-N 1 0 184.283 0.984 50 0 ACAARO Cc1nc(C[C@H]2CCC[NH2+]C2)no1 57218624 343336801 /nfs/dbraw/zinc/33/68/01/343336801.db2.gz UIVPKOOMHSYUNJ-MRVPVSSYSA-N 1 0 181.239 0.920 50 0 in-vitro ACAARO C[NH2+]CCCNCc1cccnc1 57362427 343337181 /nfs/dbraw/zinc/33/71/81/343337181.db2.gz WVJCWYJCNRALHO-UHFFFAOYSA-N 1 0 179.267 0.781 50 0 ACAARO CC1(C)CC[C@H](CO)[NH2+]1 57348579 343337183 /nfs/dbraw/zinc/33/71/83/343337183.db2.gz VOQKLHVOCZHBOV-ZCFIWIBFSA-N 1 0 129.203 0.509 50 0 ACAARO CN1CC[NH2+]C2(CCCC2)C1 56894952 343336032 /nfs/dbraw/zinc/33/60/32/343336032.db2.gz MTJIOPLJIVEVOW-UHFFFAOYSA-N 1 0 154.257 0.834 50 0 ACAARO Nc1nc(NCC2CC2)cc[nH+]1 59623837 343346609 /nfs/dbraw/zinc/34/66/09/343346609.db2.gz UMESEQKVSVWXBN-UHFFFAOYSA-N 1 0 164.212 0.881 50 0 ACAARO CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 61610965 343357984 /nfs/dbraw/zinc/35/79/84/343357984.db2.gz JVBUGQVYMKHASD-JTQLQIEISA-N 1 0 192.262 0.817 50 0 in-vitro ACAARO CC(C)n1cnnc1[C@H]1CC[NH2+]C1 62132790 343371632 /nfs/dbraw/zinc/37/16/32/343371632.db2.gz MADRRSCUQPBLJK-QMMMGPOBSA-N 1 0 180.255 0.936 50 0 ACAARO CC[C@@]1(C(N)=O)CCC[NH2+]C1 62852734 343383728 /nfs/dbraw/zinc/38/37/28/343383728.db2.gz NFBWNWYIEDNOBA-MRVPVSSYSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnnn1-c1ccccc1 62494104 343374273 /nfs/dbraw/zinc/37/42/73/343374273.db2.gz BUPTXQPXEKDURQ-ZETCQYMHSA-N 1 0 189.222 0.682 50 0 in-vitro ACAARO Cc1cnc(O[C@H]2CC[NH2+]C2)nc1 63049269 343398698 /nfs/dbraw/zinc/39/86/98/343398698.db2.gz XCUAPUBHCOQCCV-QMMMGPOBSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1cnc(CC[NH3+])nc1 63049576 343398701 /nfs/dbraw/zinc/39/87/01/343398701.db2.gz UUTLAFKDTSDYTR-UHFFFAOYSA-N 1 0 137.186 0.286 50 0 in-vitro ACAARO Cc1ccc(F)c(C[NH3+])n1 66322828 343409960 /nfs/dbraw/zinc/40/99/60/343409960.db2.gz KDAXRSCAQWYKSL-UHFFFAOYSA-N 1 0 140.161 0.988 50 0 in-vitro ACAARO C[C@H](C[NH3+])CC1(C)OCCO1 68577326 343411628 /nfs/dbraw/zinc/41/16/28/343411628.db2.gz BJUCEZIZORMDLQ-ZETCQYMHSA-N 1 0 159.229 0.734 50 0 in-vitro ACAARO C[C@H](C[NH3+])C[C@@H](C)O 68577330 343411633 /nfs/dbraw/zinc/41/16/33/343411633.db2.gz BSJILSAQCDSDCN-NTSWFWBYSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CCc1nc2n(n1)C[C@H]([NH3+])CC2 68587417 343412221 /nfs/dbraw/zinc/41/22/21/343412221.db2.gz PJYAFOPPECXXAT-ZCFIWIBFSA-N 1 0 166.228 0.114 50 0 in-vitro ACAARO CCc1nc2n(n1)C[C@@H]([NH3+])CC2 68587420 343412231 /nfs/dbraw/zinc/41/22/31/343412231.db2.gz PJYAFOPPECXXAT-LURJTMIESA-N 1 0 166.228 0.114 50 0 in-vitro ACAARO Cc1nc2cc(=O)[nH]n2c(C)c1C[NH3+] 68591672 343412237 /nfs/dbraw/zinc/41/22/37/343412237.db2.gz MAKLZWUAMGJCNL-UHFFFAOYSA-N 1 0 192.222 0.098 50 0 ACAARO C[NH2+]CCOc1ccc(O)cc1 68593393 343412260 /nfs/dbraw/zinc/41/22/60/343412260.db2.gz PEDLLTSRVVZSEF-UHFFFAOYSA-N 1 0 167.208 0.990 50 0 in-vitro ACAARO COC(=O)[C@@]1([NH3+])CCOC(C)(C)C1 69543623 343425771 /nfs/dbraw/zinc/42/57/71/343425771.db2.gz FYLQEAJTNLULEM-SECBINFHSA-N 1 0 187.239 0.446 50 0 ACAARO c1cc([C@@H]2CC[NH2+]C2)ncn1 69638766 343430419 /nfs/dbraw/zinc/43/04/19/343430419.db2.gz XRQBVGZNIDPBSF-SSDOTTSWSA-N 1 0 149.197 0.554 50 0 ACAARO Cc1noc(-c2ccc(NN)[nH+]c2)n1 70451563 343487501 /nfs/dbraw/zinc/48/75/01/343487501.db2.gz QYAWSPPFAZZBLQ-UHFFFAOYSA-N 1 0 191.194 0.726 50 0 ACAARO Nc1ccnc([C@H]2CCC[NH2+]2)n1 70628864 343508205 /nfs/dbraw/zinc/50/82/05/343508205.db2.gz UGEJULLEHOXYPW-ZCFIWIBFSA-N 1 0 164.212 0.483 50 0 ACAARO C[C@H]([NH3+])c1nccc(N)n1 70628866 343508273 /nfs/dbraw/zinc/50/82/73/343508273.db2.gz KOYLGWGAZNKTMG-BYPYZUCNSA-N 1 0 138.174 0.079 50 0 ACAARO Nc1ccnc([C@@H]2CCC[NH2+]2)n1 70628863 343508317 /nfs/dbraw/zinc/50/83/17/343508317.db2.gz UGEJULLEHOXYPW-LURJTMIESA-N 1 0 164.212 0.483 50 0 ACAARO [NH3+][C@@H](CO)C[C@@H]1CCCCO1 70884233 343538706 /nfs/dbraw/zinc/53/87/06/343538706.db2.gz PTUBWMDHGLXCEL-SFYZADRCSA-N 1 0 159.229 0.265 50 0 ACAARO Cc1nc(CN(C)[C@H]2CC[NH2+]C2)no1 70895492 343539894 /nfs/dbraw/zinc/53/98/94/343539894.db2.gz LLJCEPUFQPXEPR-QMMMGPOBSA-N 1 0 196.254 0.172 50 0 ACAARO CCc1cc(=O)[nH]c(C(C)(C)[NH3+])n1 70948586 343543207 /nfs/dbraw/zinc/54/32/07/343543207.db2.gz XYLVKQIHRWGSSO-UHFFFAOYSA-N 1 0 181.239 0.526 50 0 ACAARO C[C@@]1(CO)CCCC[NH2+]1 71372382 343552540 /nfs/dbraw/zinc/55/25/40/343552540.db2.gz RPUZRRCAXCJUNW-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO C[C@H]([NH3+])C1(N2CCOCC2)CCCC1 71373479 343552545 /nfs/dbraw/zinc/55/25/45/343552545.db2.gz ATFSZHZPWJAUHO-JTQLQIEISA-N 1 0 198.310 0.979 50 0 in-vitro ACAARO CC1(C)[C@H]2OCC[C@H]2[C@H]1[NH3+] 71372318 343552547 /nfs/dbraw/zinc/55/25/47/343552547.db2.gz WVSGHWGXPGVBQE-XVMARJQXSA-N 1 0 141.214 0.759 50 0 in-vitro ACAARO CN1C[C@@]2(CCC[NH2+]C2)OC1=O 71372396 343552549 /nfs/dbraw/zinc/55/25/49/343552549.db2.gz UVSHUQDLWJHHEB-QMMMGPOBSA-N 1 0 170.212 0.191 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H]1CCOC1 71372660 343552555 /nfs/dbraw/zinc/55/25/55/343552555.db2.gz JCIAQQOICXUMNX-WDSKDSINSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@@]1(CO)CCC[C@@H]1[NH3+] 71372412 343552573 /nfs/dbraw/zinc/55/25/73/343552573.db2.gz VGJDOVOKSWFTCD-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO C[C@]1(CO)CCC[C@@H]1[NH3+] 71372410 343552577 /nfs/dbraw/zinc/55/25/77/343552577.db2.gz VGJDOVOKSWFTCD-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO Cc1ccc([C@@](C)(O)C[NH3+])o1 71372343 343552582 /nfs/dbraw/zinc/55/25/82/343552582.db2.gz KWVBLNLMSMEPMJ-QMMMGPOBSA-N 1 0 155.197 0.754 50 0 in-vitro ACAARO CC1(C)[NH2+]CCc2nc[nH]c21 71478809 343553505 /nfs/dbraw/zinc/55/35/05/343553505.db2.gz ABLIGOLVLVMYKT-UHFFFAOYSA-N 1 0 151.213 0.791 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(=O)N[C@H]1CCCOC1 71023777 343548741 /nfs/dbraw/zinc/54/87/41/343548741.db2.gz ZPESVZMFGMSOLR-JGVFFNPUSA-N 1 0 186.255 0.019 50 0 ACAARO CC[C@H]1C[NH2+]CCN1C[C@@H](C)O 71790925 343558771 /nfs/dbraw/zinc/55/87/71/343558771.db2.gz VTDXGKKJBHENSM-BDAKNGLRSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@@]1(F)CC[NH2+]C1 72266347 343567924 /nfs/dbraw/zinc/56/79/24/343567924.db2.gz OKAPCSXSRDTDMC-RXMQYKEDSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO C[C@]1(F)CC[NH2+]C1 72266346 343567948 /nfs/dbraw/zinc/56/79/48/343567948.db2.gz OKAPCSXSRDTDMC-YFKPBYRVSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO CC1(F)C[NH2+]C1 72266348 343568007 /nfs/dbraw/zinc/56/80/07/343568007.db2.gz WFERYMPRVKKATO-UHFFFAOYSA-N 1 0 89.113 0.318 50 0 in-vitro ACAARO Cc1nccnc1O[C@@H]1CC[NH2+]C1 72411096 343569925 /nfs/dbraw/zinc/56/99/25/343569925.db2.gz UPDKPJQHXZEPRR-MRVPVSSYSA-N 1 0 179.223 0.526 50 0 ACAARO [NH3+]C[C@@H]1CCOC2(CCOCC2)C1 74281245 343571697 /nfs/dbraw/zinc/57/16/97/343571697.db2.gz XANWWWVLZHMFPG-SECBINFHSA-N 1 0 185.267 0.921 50 0 in-vitro ACAARO Cc1nc([C@H]([NH3+])[C@H](C)O)cs1 74309948 343572099 /nfs/dbraw/zinc/57/20/99/343572099.db2.gz VTSLCFNGVMRGIP-MHTLYPKNSA-N 1 0 172.253 0.832 50 0 ACAARO C[C@H]1C[NH2+]CCOC1 74535960 343572913 /nfs/dbraw/zinc/57/29/13/343572913.db2.gz DYHXKPISQYRSST-LURJTMIESA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO C[C@H]([NH3+])CO[C@H]1CCOC1 74923642 343574649 /nfs/dbraw/zinc/57/46/49/343574649.db2.gz XYMTXWOHZOBDGQ-BQBZGAKWSA-N 1 0 145.202 0.139 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H]1N(C)C 74941770 343575096 /nfs/dbraw/zinc/57/50/96/343575096.db2.gz WPWPUGYLNCMHFP-BQBZGAKWSA-N 1 0 128.219 0.156 50 0 in-vitro ACAARO C[C@H]([NH3+])CO[C@@H]1CCOC1 74923637 343575118 /nfs/dbraw/zinc/57/51/18/343575118.db2.gz XYMTXWOHZOBDGQ-NKWVEPMBSA-N 1 0 145.202 0.139 50 0 in-vitro ACAARO COc1cc([C@@H]([NH3+])CO)ccn1 75085405 343575584 /nfs/dbraw/zinc/57/55/84/343575584.db2.gz AHCHLOHTGRFVDW-ZETCQYMHSA-N 1 0 168.196 0.082 50 0 ACAARO COc1cc([C@H]([NH3+])CO)ccn1 75085403 343575586 /nfs/dbraw/zinc/57/55/86/343575586.db2.gz AHCHLOHTGRFVDW-SSDOTTSWSA-N 1 0 168.196 0.082 50 0 ACAARO C[NH2+]CCc1ccc(OC)nc1 75085284 343575597 /nfs/dbraw/zinc/57/55/97/343575597.db2.gz OBNIAZZHSBNMTI-UHFFFAOYSA-N 1 0 166.224 0.852 50 0 in-vitro ACAARO CCC(F)(F)C[NH3+] 74942231 343575605 /nfs/dbraw/zinc/57/56/05/343575605.db2.gz HTADKVIIFXTFNT-UHFFFAOYSA-N 1 0 109.119 0.990 50 0 ACAARO CCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 74942754 343575613 /nfs/dbraw/zinc/57/56/13/343575613.db2.gz FTXFVAJXLNRRQU-YUMQZZPRSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO Cc1cncnc1OC1CC[NH2+]CC1 76635858 343580234 /nfs/dbraw/zinc/58/02/34/343580234.db2.gz UUXYDJQFFRSHIC-UHFFFAOYSA-N 1 0 193.250 0.916 50 0 ACAARO C[C@H]1[NH2+]CCOC1(C)C 78210683 343582380 /nfs/dbraw/zinc/58/23/80/343582380.db2.gz UOIGEGHPYLYHLR-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO Cc1n[nH]c(C[NH3+])c1C 82522251 343605882 /nfs/dbraw/zinc/60/58/82/343605882.db2.gz KWIVLMWFSGZLFF-UHFFFAOYSA-N 1 0 125.175 0.485 50 0 ACAARO CC1CCN([C@@H]2C[NH2+]C[C@@H]2O)CC1 82524036 343605887 /nfs/dbraw/zinc/60/58/87/343605887.db2.gz XMWNNWUOGTYCSF-ZJUUUORDSA-N 1 0 184.283 0.051 50 0 ACAARO Cc1cc(C)n2nc(CC[NH3+])nc2n1 82530422 343605953 /nfs/dbraw/zinc/60/59/53/343605953.db2.gz YYYIQSDSFJYWOL-UHFFFAOYSA-N 1 0 191.238 0.242 50 0 ACAARO CC1CCN([C@H]2C[NH2+]C[C@@H]2O)CC1 82524037 343605991 /nfs/dbraw/zinc/60/59/91/343605991.db2.gz XMWNNWUOGTYCSF-UWVGGRQHSA-N 1 0 184.283 0.051 50 0 ACAARO CCc1nocc1C[NH2+]C 82838094 343613560 /nfs/dbraw/zinc/61/35/60/343613560.db2.gz RUQFAHFBVJQBIR-UHFFFAOYSA-N 1 0 140.186 0.956 50 0 ACAARO CNC(=O)N1CCCC[C@H]1CC[NH3+] 82635755 343608354 /nfs/dbraw/zinc/60/83/54/343608354.db2.gz YUXCSYVSLQDZFB-QMMMGPOBSA-N 1 0 185.271 0.529 50 0 ACAARO Cc1nc2c(c(=O)[nH]1)CC[NH2+]C2 84227113 343632799 /nfs/dbraw/zinc/63/27/99/343632799.db2.gz YYZKKLJMPSCJHD-UHFFFAOYSA-N 1 0 165.196 0.136 50 0 in-vitro ACAARO CCCC1(O)C[NH2+]C1 84327112 343634106 /nfs/dbraw/zinc/63/41/06/343634106.db2.gz OGBGHDPRXMVWSD-UHFFFAOYSA-N 1 0 115.176 0.121 50 0 ACAARO CC(=O)NC1(C)CC[NH2+]CC1 84329001 343634152 /nfs/dbraw/zinc/63/41/52/343634152.db2.gz PJUQPGPSCSSQIW-UHFFFAOYSA-N 1 0 156.229 0.265 50 0 ACAARO C[C@H]([NH3+])C1(C)COCOC1 85392140 343643219 /nfs/dbraw/zinc/64/32/19/343643219.db2.gz GSIGUICFQYCWKZ-LURJTMIESA-N 1 0 145.202 0.344 50 0 ACAARO CC[C@@H]1C[NH2+]C[C@@H](C)[S@@]1=O 85304566 343642393 /nfs/dbraw/zinc/64/23/93/343642393.db2.gz HRXGNKLLVIMNOT-BRDIYROLSA-N 1 0 161.270 0.505 50 0 in-vitro ACAARO Cc1ccc(NC(=O)C[NH3+])c(C)n1 87152324 343657784 /nfs/dbraw/zinc/65/77/84/343657784.db2.gz UOACTOOYKCPZFC-UHFFFAOYSA-N 1 0 179.223 0.596 50 0 ACAARO CC(C)[C@@]1(CO)CC[NH2+]C1 87155597 343658233 /nfs/dbraw/zinc/65/82/33/343658233.db2.gz PDNWIJUIFXPSAA-QMMMGPOBSA-N 1 0 143.230 0.614 50 0 in-vitro ACAARO C[C@@]1(CCCO)CCC[NH2+]1 88613712 343671856 /nfs/dbraw/zinc/67/18/56/343671856.db2.gz URVMAVWYKUWGMW-QMMMGPOBSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO C[C@@]1(O)C[NH+]2CCC1CC2 95080261 343679486 /nfs/dbraw/zinc/67/94/86/343679486.db2.gz IEWKLMGEIQEKBG-MRVPVSSYSA-N 1 0 141.214 0.463 50 0 ACAARO C[C@]1(CCCO)CCC[NH2+]1 88613711 343671873 /nfs/dbraw/zinc/67/18/73/343671873.db2.gz URVMAVWYKUWGMW-MRVPVSSYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO Cc1c[nH+]c(NN)c(N)c1 95494839 343683872 /nfs/dbraw/zinc/68/38/72/343683872.db2.gz WGZIEQDVBHICAC-UHFFFAOYSA-N 1 0 138.174 0.258 50 0 ACAARO CC(C)N1CC2(C[NH2+]C2)C1 95496185 343683891 /nfs/dbraw/zinc/68/38/91/343683891.db2.gz OJCXCNAXUUGKLW-UHFFFAOYSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO CCC1=NC(=O)C2(CC[NH2+]CC2)N1 95483704 343683898 /nfs/dbraw/zinc/68/38/98/343683898.db2.gz JUWGQFYHBAAZLQ-UHFFFAOYSA-N 1 0 181.239 0.047 50 0 ACAARO CC1(C)C[C@@H](C[NH3+])O1 95630835 343684949 /nfs/dbraw/zinc/68/49/49/343684949.db2.gz JDVXFWBTLQEYPW-YFKPBYRVSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[N@H+]1[C@H]2CCC[C@@H]1C[C@H]2O 95707541 343685995 /nfs/dbraw/zinc/68/59/95/343685995.db2.gz PZPVPVJLCPBGRW-GJMOJQLCSA-N 1 0 141.214 0.604 50 0 ACAARO [NH3+]Cc1cccc2c1CNC2=O 95726812 343686042 /nfs/dbraw/zinc/68/60/42/343686042.db2.gz GDTBWQKTARSTEI-UHFFFAOYSA-N 1 0 162.192 0.389 50 0 ACAARO C[NH2+]CC1(N(C)C)CCC1 95942484 343692418 /nfs/dbraw/zinc/69/24/18/343692418.db2.gz GZUHGBJYQNEWOR-UHFFFAOYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[C@H](O)C1CCN(CC[NH3+])CC1 98095821 343705723 /nfs/dbraw/zinc/70/57/23/343705723.db2.gz HQRYTUXOOOAIMO-QMMMGPOBSA-N 1 0 172.272 0.038 50 0 ACAARO C[NH+](C)[C@H]1CC[C@H](O)CC1 100005493 343708278 /nfs/dbraw/zinc/70/82/78/343708278.db2.gz STNVXNYQNKDYBT-OCAPTIKFSA-N 1 0 143.230 0.852 50 0 ACAARO [NH3+][C@@H]1CCCN2CCCC[C@H]12 101724949 343724967 /nfs/dbraw/zinc/72/49/67/343724967.db2.gz SHDAASRRPFQHIB-RKDXNWHRSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](CO)C1 107114818 343740119 /nfs/dbraw/zinc/74/01/19/343740119.db2.gz SSKKCWRWVKPDIA-RNFRBKRXSA-N 1 0 129.203 0.224 50 0 ACAARO CC(F)(F)CC[NH3+] 107256007 343747867 /nfs/dbraw/zinc/74/78/67/343747867.db2.gz INUCXBIYHAIRNX-UHFFFAOYSA-N 1 0 109.119 0.990 50 0 ACAARO CN1C(=O)CC2(CC[NH2+]CC2)CC1=O 107364557 343749745 /nfs/dbraw/zinc/74/97/45/343749745.db2.gz QQECXCKOLSVZNT-UHFFFAOYSA-N 1 0 196.250 0.135 50 0 ACAARO O=[n+]1ccn(O)c2ccccc21 111390259 343754189 /nfs/dbraw/zinc/75/41/89/343754189.db2.gz URFZQIDIJJYNER-UHFFFAOYSA-N 1 0 163.156 0.793 50 0 endogenous,in-man ACAARO Cc1ocnc1CN(C)[C@@H]1CC[NH2+]C1 128579338 343833927 /nfs/dbraw/zinc/83/39/27/343833927.db2.gz PCPCCARECSKSKY-SECBINFHSA-N 1 0 195.266 0.777 50 0 ACAARO C(CN1CCOCC1)[NH2+]CC1CC1 20037668 166045779 /nfs/dbraw/zinc/04/57/79/166045779.db2.gz QQDPKDPZOMPKHV-UHFFFAOYSA-N 1 0 184.283 0.318 50 0 in-vitro ACAARO C(CNC1=[NH+]CCN1)COCC1CC1 65503038 166045893 /nfs/dbraw/zinc/04/58/93/166045893.db2.gz UWDHEKXJVIYTRY-UHFFFAOYSA-N 1 0 197.282 0.352 50 0 ACAARO C(CN1CCOCC1)[NH2+]C1CC1 19840673 166046749 /nfs/dbraw/zinc/04/67/49/166046749.db2.gz LAPUZUGSYBRTCJ-UHFFFAOYSA-N 1 0 170.256 0.071 50 0 ACAARO C/C=C/C[C@H]([NH3+])CO 44463856 166062755 /nfs/dbraw/zinc/06/27/55/166062755.db2.gz ZEODUDKXIGPAIV-SZKDQXIBSA-N 1 0 115.176 0.272 50 0 in-vitro ACAARO C/C=C/C[C@@H]([NH3+])CO 44463857 166063547 /nfs/dbraw/zinc/06/35/47/166063547.db2.gz ZEODUDKXIGPAIV-YRFDSLTASA-N 1 0 115.176 0.272 50 0 in-vitro ACAARO C/C=C/C[NH3+] 2016335 166063686 /nfs/dbraw/zinc/06/36/86/166063686.db2.gz QFUSOYKIDBRREL-NSCUHMNNSA-N 1 0 71.123 0.521 50 0 in-vitro ACAARO C1=CCC2(C1)C[NH2+]C2 237993212 166074560 /nfs/dbraw/zinc/07/45/60/166074560.db2.gz BFMYMAQNEGMNSG-UHFFFAOYSA-N 1 0 109.172 0.926 50 0 ACAARO C1=CC[NH+](C2CC[NH2+]CC2)C1 100650432 166075568 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157.213 0.359 50 0 in-vitro ACAARO C1CC([NH2+]C2CC2)CCO1 1529129 166083320 /nfs/dbraw/zinc/08/33/20/166083320.db2.gz DUIOGILHLJADHT-UHFFFAOYSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO C1CC(C[C@@H]2CO2)CC[NH2+]1 18855692 166083333 /nfs/dbraw/zinc/08/33/33/166083333.db2.gz MSZZYLWFCRBMCT-MRVPVSSYSA-N 1 0 141.214 0.775 50 0 ACAARO C1CC(COC2C[NH2+]C2)C1 20831733 166083360 /nfs/dbraw/zinc/08/33/60/166083360.db2.gz XMBUSTVGQRGXFA-UHFFFAOYSA-N 1 0 141.214 0.775 50 0 ACAARO C1CC(C2C[NH2+]C2)CCO1 23890695 166083521 /nfs/dbraw/zinc/08/35/21/166083521.db2.gz ULQNDLQSKUSZEG-UHFFFAOYSA-N 1 0 141.214 0.632 50 0 in-vitro ACAARO C1CC([NH2+]C2COC2)CCO1 82488075 166083674 /nfs/dbraw/zinc/08/36/74/166083674.db2.gz VLTVCFSSRRWWPW-UHFFFAOYSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO C1CC(C[NH+]2CCNCC2)C1 20160228 166084185 /nfs/dbraw/zinc/08/41/85/166084185.db2.gz LYIJMNZARQYLPL-UHFFFAOYSA-N 1 0 154.257 0.692 50 0 in-vitro ACAARO C1CC([NH2+]C2COC2)C1 82488631 166084210 /nfs/dbraw/zinc/08/42/10/166084210.db2.gz LVIXCAQDKFMQAB-UHFFFAOYSA-N 1 0 127.187 0.527 50 0 ACAARO C1CC(N2CC[NH2+]CC2)C1 23891102 166084378 /nfs/dbraw/zinc/08/43/78/166084378.db2.gz WJJKCJYVIICABH-UHFFFAOYSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CC1C[NH2+]C1COC1 76571523 166084781 /nfs/dbraw/zinc/08/47/81/166084781.db2.gz MATAUEWTEPTZDV-UHFFFAOYSA-N 1 0 127.187 0.385 50 0 ACAARO C1CC2(C1)CC[NH2+]2 71790472 166084847 /nfs/dbraw/zinc/08/48/47/166084847.db2.gz YKNUXXRRPRLOBW-UHFFFAOYSA-N 1 0 97.161 0.902 50 0 ACAARO C1CC([C@@H]2COCC[NH2+]2)C1 23890656 166084904 /nfs/dbraw/zinc/08/49/04/166084904.db2.gz PWMXMPNANXOTLP-QMMMGPOBSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1CC2(C1)C[NH2+]CCO2 76571754 166084989 /nfs/dbraw/zinc/08/49/89/166084989.db2.gz AAZVXZWIZSYZLN-UHFFFAOYSA-N 1 0 127.187 0.529 50 0 in-vitro ACAARO C1CC(OC2CC2)CC[NH2+]1 18855493 166085015 /nfs/dbraw/zinc/08/50/15/166085015.db2.gz PHWYYJLLFOKERS-UHFFFAOYSA-N 1 0 141.214 0.917 50 0 ACAARO C1CC2(CCOCC2)[NH2+]1 72266680 166085057 /nfs/dbraw/zinc/08/50/57/166085057.db2.gz YRTSMAAUDAWPSL-UHFFFAOYSA-N 1 0 127.187 0.529 50 0 in-vitro ACAARO C1CC([C@H]2COCC[NH2+]2)C1 23890659 166085066 /nfs/dbraw/zinc/08/50/66/166085066.db2.gz PWMXMPNANXOTLP-MRVPVSSYSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1CC2(CC2)[NH2+]1 84303643 166085072 /nfs/dbraw/zinc/08/50/72/166085072.db2.gz RBWVZFZPIWEEHW-UHFFFAOYSA-N 1 0 83.134 0.512 50 0 ACAARO C1CC(O[C@@H]2CCOC2)CC[NH2+]1 69606711 166085108 /nfs/dbraw/zinc/08/51/08/166085108.db2.gz XPPIANJSURIDNT-SECBINFHSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C1CC2(CCO1)C[NH2+]C2 20596516 166085267 /nfs/dbraw/zinc/08/52/67/166085267.db2.gz WZFOPYGRZNUWSP-UHFFFAOYSA-N 1 0 127.187 0.386 50 0 in-vitro ACAARO C1CC1[NH2+]C1COC1 16083058 166085278 /nfs/dbraw/zinc/08/52/78/166085278.db2.gz WRHIQBUDVKMWPJ-UHFFFAOYSA-N 1 0 113.160 0.137 50 0 in-vitro ACAARO C1CC1[NH2+]C1CC1 2525585 166085420 /nfs/dbraw/zinc/08/54/20/166085420.db2.gz JKWKFBUUNGGYBP-UHFFFAOYSA-N 1 0 97.161 0.901 50 0 ACAARO 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140.230 0.348 50 0 ACAARO C1CC2(CC[NH2+]1)COC2 45028281 166085865 /nfs/dbraw/zinc/08/58/65/166085865.db2.gz RECARUFTCUAFPV-UHFFFAOYSA-N 1 0 127.187 0.386 50 0 in-vitro ACAARO C1CC2(CC[NH2+]1)CCOC2 66340087 166085916 /nfs/dbraw/zinc/08/59/16/166085916.db2.gz OXXXNXISRXFPBK-UHFFFAOYSA-N 1 0 141.214 0.777 50 0 in-vitro ACAARO C1CC([C@H]2C[NH2+]CCO2)C1 23890675 166085927 /nfs/dbraw/zinc/08/59/27/166085927.db2.gz YTPPDLPMYCHVGL-MRVPVSSYSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1CC(OC[C@@H]2CCOC2)CC[NH2+]1 49689702 166085948 /nfs/dbraw/zinc/08/59/48/166085948.db2.gz VYINHBGEOOYFFU-SECBINFHSA-N 1 0 185.267 0.792 50 0 ACAARO C1CC1C1C[NH2+]C1 114762474 166085974 /nfs/dbraw/zinc/08/59/74/166085974.db2.gz JHBLLBOSAMXJIY-UHFFFAOYSA-N 1 0 97.161 0.616 50 0 in-vitro ACAARO C1CC1N1CC2(C[NH2+]C2)C1 95496198 166085982 /nfs/dbraw/zinc/08/59/82/166085982.db2.gz PXLWBYQKAOCCHM-UHFFFAOYSA-N 1 0 138.214 0.054 50 0 ACAARO C1CC2CCC1[NH2+]2 1420527 166085996 /nfs/dbraw/zinc/08/59/96/166085996.db2.gz SNZSSCZJMVIOCR-UHFFFAOYSA-N 1 0 97.161 0.901 50 0 in-vitro ACAARO C1CC2(CC2)C[NH2+]1 72266802 166086013 /nfs/dbraw/zinc/08/60/13/166086013.db2.gz HOXWESKAHYABGO-UHFFFAOYSA-N 1 0 97.161 0.760 50 0 in-vitro ACAARO C1CC2(C1)C[NH2+]C2 20380901 166086066 /nfs/dbraw/zinc/08/60/66/166086066.db2.gz QPEJAHMNOVMSOZ-UHFFFAOYSA-N 1 0 97.161 0.760 50 0 in-vitro ACAARO C1CC2(C1)C[NH2+]CCOC2 95348405 166086069 /nfs/dbraw/zinc/08/60/69/166086069.db2.gz IKMUMIIPTDFAJX-UHFFFAOYSA-N 1 0 141.214 0.777 50 0 in-vitro ACAARO C1CC2(C1)C[NH2+]CCN2 22927739 166086086 /nfs/dbraw/zinc/08/60/86/166086086.db2.gz GGRDXGCQBQZPNZ-UHFFFAOYSA-N 1 0 126.203 0.102 50 0 in-vitro ACAARO C1CC2(CC[NH2+]1)OCCO2 1847637 166086212 /nfs/dbraw/zinc/08/62/12/166086212.db2.gz KPKNTUUIEVXMOH-UHFFFAOYSA-N 1 0 143.186 0.113 50 0 in-vitro ACAARO C1CC([C@@H]2C[NH2+]CCO2)C1 23890673 166086274 /nfs/dbraw/zinc/08/62/74/166086274.db2.gz YTPPDLPMYCHVGL-QMMMGPOBSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1CC2(C[NH2+]C2)S1 95628903 166086295 /nfs/dbraw/zinc/08/62/95/166086295.db2.gz APPDVBXBDUFODU-UHFFFAOYSA-N 1 0 115.201 0.465 50 0 ACAARO C1CC(O[C@H]2CCOC2)CC[NH2+]1 69606712 166086326 /nfs/dbraw/zinc/08/63/26/166086326.db2.gz XPPIANJSURIDNT-VIFPVBQESA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C1CC2(C1)COCC[NH2+]2 82164305 166086344 /nfs/dbraw/zinc/08/63/44/166086344.db2.gz QJWGZYJFBDSKHF-UHFFFAOYSA-N 1 0 127.187 0.529 50 0 in-vitro ACAARO C1CC12C[NH2+]C2 84304658 166086350 /nfs/dbraw/zinc/08/63/50/166086350.db2.gz RHVACWSWOHDPBX-UHFFFAOYSA-N 1 0 83.134 0.370 50 0 in-vitro ACAARO C1CC1COC1C[NH2+]C1 42769723 166086397 /nfs/dbraw/zinc/08/63/97/166086397.db2.gz YNIGCEJFTCIFBV-UHFFFAOYSA-N 1 0 127.187 0.385 50 0 ACAARO C1CC1c1noc(C2C[NH2+]C2)n1 70635305 166086447 /nfs/dbraw/zinc/08/64/47/166086447.db2.gz NLDFDJOBRPOQHK-UHFFFAOYSA-N 1 0 165.196 0.634 50 0 ACAARO C1CC([C@H]2CNCC[NH2+]2)C1 23890653 166086454 /nfs/dbraw/zinc/08/64/54/166086454.db2.gz DSHDROYIJFRITB-MRVPVSSYSA-N 1 0 140.230 0.348 50 0 ACAARO C1CCC([NH+]2CCNCC2)C1 19256201 166087478 /nfs/dbraw/zinc/08/74/78/166087478.db2.gz PVMCQBPJKPMOKM-UHFFFAOYSA-N 1 0 154.257 0.834 50 0 ACAARO C1CCC([NH2+]CCN2CCOCC2)C1 19953926 166088122 /nfs/dbraw/zinc/08/81/22/166088122.db2.gz DPSWXPYWRQMVHR-UHFFFAOYSA-N 1 0 198.310 0.851 50 0 ACAARO C1CCC2(CC1)CNCC[NH2+]2 22927746 166089782 /nfs/dbraw/zinc/08/97/82/166089782.db2.gz VVBIFWHTQJEQQD-UHFFFAOYSA-N 1 0 154.257 0.882 50 0 in-vitro ACAARO C1CCC2(C1)CNCC[NH2+]2 22927742 166090099 /nfs/dbraw/zinc/09/00/99/166090099.db2.gz IAKQYJGYZJGWLB-UHFFFAOYSA-N 1 0 140.230 0.492 50 0 in-vitro ACAARO C1CCCN(C2C[NH2+]C2)CC1 54931382 166090307 /nfs/dbraw/zinc/09/03/07/166090307.db2.gz PAKMNLRNGOSRKD-UHFFFAOYSA-N 1 0 154.257 0.834 50 0 ACAARO C1CC[NH+](C[C@@H]2CNCCO2)C1 34332140 166090696 /nfs/dbraw/zinc/09/06/96/166090696.db2.gz GMGVKXVKOAWGME-VIFPVBQESA-N 1 0 170.256 0.071 50 0 in-vitro ACAARO C1CC[C@@H](CN2CCOCC2)[NH2+]C1 19435254 166090781 /nfs/dbraw/zinc/09/07/81/166090781.db2.gz CTJYUVGVMCELLF-JTQLQIEISA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO C1CC[C@@H](O[C@H]2CC[NH2+]C2)OC1 6674252 166091103 /nfs/dbraw/zinc/09/11/03/166091103.db2.gz JCZDMBKPCOKANB-DTWKUNHWSA-N 1 0 171.240 0.892 50 0 ACAARO C1CCN(C[C@H]2C[NH2+]CCCO2)CC1 49584964 166091115 /nfs/dbraw/zinc/09/11/15/166091115.db2.gz PVKKESOUKDFXRZ-LLVKDONJSA-N 1 0 198.310 0.851 50 0 in-vitro ACAARO C1CCN([C@H]2CC[NH2+]C2)CC1 22467301 166091245 /nfs/dbraw/zinc/09/12/45/166091245.db2.gz BTZQCTWJDFNRMS-VIFPVBQESA-N 1 0 154.257 0.834 50 0 in-vitro ACAARO C1CCN2CC[NH2+]C[C@@H]2C1 22467690 166091509 /nfs/dbraw/zinc/09/15/09/166091509.db2.gz ONHPOXROAPYCGT-QMMMGPOBSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CC[C@@H](C2OCCO2)[NH2+]C1 47844162 166091674 /nfs/dbraw/zinc/09/16/74/166091674.db2.gz LXFXTYRJIBZVMU-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO C1CCN([C@H]2CC[NH2+]C2)C1 20135934 166091861 /nfs/dbraw/zinc/09/18/61/166091861.db2.gz HFZLSTDPRQSZCQ-QMMMGPOBSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CCN([C@@H]2CC[NH2+]C2)CC1 22467297 166091965 /nfs/dbraw/zinc/09/19/65/166091965.db2.gz BTZQCTWJDFNRMS-SECBINFHSA-N 1 0 154.257 0.834 50 0 in-vitro ACAARO C1CC[C@@H](CCN2CCOCC2)[NH2+]C1 3882650 166091998 /nfs/dbraw/zinc/09/19/98/166091998.db2.gz FUJBQZFRRCQXTB-NSHDSACASA-N 1 0 198.310 0.851 50 0 in-vitro ACAARO C1CCN2CC[NH2+]C[C@H]2C1 22467694 166092010 /nfs/dbraw/zinc/09/20/10/166092010.db2.gz ONHPOXROAPYCGT-MRVPVSSYSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CCN(C2C[NH2+]C2)C1 20445525 166092016 /nfs/dbraw/zinc/09/20/16/166092016.db2.gz KUSISHXBHVFQPM-UHFFFAOYSA-N 1 0 126.203 0.054 50 0 in-vitro ACAARO C1CC[NH+](C[C@@H]2CNCCO2)CC1 4129030 166092166 /nfs/dbraw/zinc/09/21/66/166092166.db2.gz AZDXOXWFGNQSPC-JTQLQIEISA-N 1 0 184.283 0.461 50 0 ACAARO C1CCN(C[C@@H]2C[NH2+]CCCO2)CC1 49584963 166092320 /nfs/dbraw/zinc/09/23/20/166092320.db2.gz PVKKESOUKDFXRZ-NSHDSACASA-N 1 0 198.310 0.851 50 0 in-vitro ACAARO C1CC[NH+](C[C@H]2CNCCO2)CC1 4129032 166092471 /nfs/dbraw/zinc/09/24/71/166092471.db2.gz AZDXOXWFGNQSPC-SNVBAGLBSA-N 1 0 184.283 0.461 50 0 ACAARO C1CCN([C@@H]2CC[NH2+]C2)C1 20135930 166092500 /nfs/dbraw/zinc/09/25/00/166092500.db2.gz HFZLSTDPRQSZCQ-MRVPVSSYSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CC[NH+](C[C@H]2CNCCO2)C1 34332141 166092592 /nfs/dbraw/zinc/09/25/92/166092592.db2.gz GMGVKXVKOAWGME-SECBINFHSA-N 1 0 170.256 0.071 50 0 in-vitro ACAARO C1CC[NH2+]C1 1690615 166092748 /nfs/dbraw/zinc/09/27/48/166092748.db2.gz RWRDLPDLKQPQOW-UHFFFAOYSA-N 1 0 71.123 0.370 50 0 endogenous,in-man ACAARO C1CCN(C2C[NH2+]C2)CC1 23094047 166092752 /nfs/dbraw/zinc/09/27/52/166092752.db2.gz SRYMNAQUZAVQFT-UHFFFAOYSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1CC[NH2+]CC1 1529277 166092848 /nfs/dbraw/zinc/09/28/48/166092848.db2.gz NQRYJNQNLNOLGT-UHFFFAOYSA-N 1 0 85.150 0.760 50 0 endogenous,in-man ACAARO C1CC[C@@H](O[C@@H]2CC[NH2+]C2)OC1 2386584 166092861 /nfs/dbraw/zinc/09/28/61/166092861.db2.gz JCZDMBKPCOKANB-RKDXNWHRSA-N 1 0 171.240 0.892 50 0 ACAARO C1CC[C@]2(CCOC2)[NH2+]C1 82409925 166093056 /nfs/dbraw/zinc/09/30/56/166093056.db2.gz IADNZIFMDRMXPF-MRVPVSSYSA-N 1 0 141.214 0.919 50 0 ACAARO C1CC[C@H](O[C@H]2CC[NH2+]C2)OC1 6674255 166093100 /nfs/dbraw/zinc/09/31/00/166093100.db2.gz JCZDMBKPCOKANB-IUCAKERBSA-N 1 0 171.240 0.892 50 0 ACAARO C1CC[C@H]2OCC[NH2+][C@H]2C1 6658110 166093130 /nfs/dbraw/zinc/09/31/30/166093130.db2.gz AGYZKRGPZJEWPN-JGVFFNPUSA-N 1 0 141.214 0.917 50 0 ACAARO C1CC[C@H]2[NH2+][C@H]2C1 32214491 166093143 /nfs/dbraw/zinc/09/31/43/166093143.db2.gz DINLIZUFVHTMDX-OLQVQODUSA-N 1 0 97.161 0.901 50 0 ACAARO C1CC[C@H]2[NH2+]CCO[C@H]2C1 6658109 166093150 /nfs/dbraw/zinc/09/31/50/166093150.db2.gz AGYZKRGPZJEWPN-SFYZADRCSA-N 1 0 141.214 0.917 50 0 ACAARO C1CC[C@H]2CNCC[N@@H+]2CC1 22467704 166093404 /nfs/dbraw/zinc/09/34/04/166093404.db2.gz ZKGVJAGQEZBTMV-VIFPVBQESA-N 1 0 154.257 0.834 50 0 ACAARO C1CC[C@H](C2OCCO2)[NH2+]C1 47844164 166093634 /nfs/dbraw/zinc/09/36/34/166093634.db2.gz LXFXTYRJIBZVMU-SSDOTTSWSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO 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141.214 0.777 50 0 ACAARO C1C[NH2+]C[C@]2(C1)CCCO2 82046508 166096881 /nfs/dbraw/zinc/09/68/81/166096881.db2.gz BLXRCCOYFVHFFD-QMMMGPOBSA-N 1 0 141.214 0.919 50 0 in-vitro ACAARO C1C[NH2+][C@H]2CNCC[C@@H]2C1 24181044 166096895 /nfs/dbraw/zinc/09/68/95/166096895.db2.gz XOYWYIBCMNHXFE-YUMQZZPRSA-N 1 0 140.230 0.348 50 0 ACAARO C1C[NH2+]C[C@]2(C1)CC[NH2+]C2 59698828 166096919 /nfs/dbraw/zinc/09/69/19/166096919.db2.gz SGLTYXRTDQXURA-QMMMGPOBSA-N 1 0 140.230 0.350 50 0 in-vitro ACAARO C1C[NH2+][C@H]2CCCN[C@H]2C1 24181303 166096947 /nfs/dbraw/zinc/09/69/47/166096947.db2.gz RQPDLNSKAAOHTF-YUMQZZPRSA-N 1 0 140.230 0.490 50 0 ACAARO C1C[NH2+]C[C@H](C2OCCO2)C1 47844235 166096953 /nfs/dbraw/zinc/09/69/53/166096953.db2.gz QAFXKOPNBQVMIE-SSDOTTSWSA-N 1 0 157.213 0.359 50 0 in-vitro ACAARO C1C[NH2+][C@@H]2CCOC[C@@H]2C1 24181075 166097008 /nfs/dbraw/zinc/09/70/08/166097008.db2.gz OPSDHEWDTCRNPP-JGVFFNPUSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1C[NH2+][C@@H]2CCOC[C@H]2C1 24181081 166097021 /nfs/dbraw/zinc/09/70/21/166097021.db2.gz OPSDHEWDTCRNPP-HTQZYQBOSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1C[NH2+]C[C@H](N2CCCC2)C1 32445548 166097054 /nfs/dbraw/zinc/09/70/54/166097054.db2.gz DSRVXZMXCPNZDO-SECBINFHSA-N 1 0 154.257 0.834 50 0 in-vitro ACAARO C1CNC[C@H]([NH2+]C2CCOCC2)C1 43325670 166097073 /nfs/dbraw/zinc/09/70/73/166097073.db2.gz AAKSFRUPVLIFJD-SNVBAGLBSA-N 1 0 184.283 0.507 50 0 ACAARO C1C[NH2+][C@@H]2CCCN[C@H]2C1 24181300 166097099 /nfs/dbraw/zinc/09/70/99/166097099.db2.gz RQPDLNSKAAOHTF-OCAPTIKFSA-N 1 0 140.230 0.490 50 0 ACAARO C1C[NH2+][C@H]2C[C@H]2C1 40449193 166097120 /nfs/dbraw/zinc/09/71/20/166097120.db2.gz RMLNAEPKTRCSRH-RITPCOANSA-N 1 0 97.161 0.758 50 0 in-vitro ACAARO C1C[NH2+]C[C@H](CN2CCOCC2)C1 4312798 166097136 /nfs/dbraw/zinc/09/71/36/166097136.db2.gz ALFVQZQTMWKLKX-SNVBAGLBSA-N 1 0 184.283 0.318 50 0 in-vitro ACAARO C1C[NH2+][C@@H]2CNCC[C@@H]2C1 24181041 166097253 /nfs/dbraw/zinc/09/72/53/166097253.db2.gz XOYWYIBCMNHXFE-JGVFFNPUSA-N 1 0 140.230 0.348 50 0 ACAARO C1C[NH2+][C@@H](CN2CCOCC2)C1 19958161 166097269 /nfs/dbraw/zinc/09/72/69/166097269.db2.gz UUUSROHBEMVRKP-SECBINFHSA-N 1 0 170.256 0.071 50 0 ACAARO C1C[NH2+][C@@H]2CCCN[C@@H]2C1 24181297 166097317 /nfs/dbraw/zinc/09/73/17/166097317.db2.gz RQPDLNSKAAOHTF-HTQZYQBOSA-N 1 0 140.230 0.490 50 0 ACAARO C1C[NH2+][C@H](CN2CCOCC2)C1 19852645 166097349 /nfs/dbraw/zinc/09/73/49/166097349.db2.gz UUUSROHBEMVRKP-VIFPVBQESA-N 1 0 170.256 0.071 50 0 ACAARO C1C[NH2+][C@@H]([C@H]2CCCO2)C1 3732391 166097387 /nfs/dbraw/zinc/09/73/87/166097387.db2.gz YBVFSMCQBPGSSG-HTQZYQBOSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO C1C[NH2+][C@H]([C@@H]2CCCO2)C1 3732392 166097438 /nfs/dbraw/zinc/09/74/38/166097438.db2.gz YBVFSMCQBPGSSG-YUMQZZPRSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO C1C[NH2+][C@H]2CCOC[C@H]2C1 24181084 166097664 /nfs/dbraw/zinc/09/76/64/166097664.db2.gz OPSDHEWDTCRNPP-SFYZADRCSA-N 1 0 141.214 0.775 50 0 in-vitro ACAARO C1C[NH2+]C[C@H](N2CCC2)C1 23891130 166098143 /nfs/dbraw/zinc/09/81/43/166098143.db2.gz YDJSNSJKBMNVAG-MRVPVSSYSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO C1C[NH2+]C[C@H](OC[C@H]2CCCO2)C1 14631614 166098202 /nfs/dbraw/zinc/09/82/02/166098202.db2.gz JUEVOHUEVOKSRJ-NXEZZACHSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO C1C[NH2+]C[C@H](N2CCOCC2)C1 34791707 166098277 /nfs/dbraw/zinc/09/82/77/166098277.db2.gz ITZRLXIJTDBGJS-SECBINFHSA-N 1 0 170.256 0.071 50 0 in-vitro ACAARO C1C[NH2+][C@@H]2C[C@@H]2C1 40449194 166098390 /nfs/dbraw/zinc/09/83/90/166098390.db2.gz RMLNAEPKTRCSRH-NTSWFWBYSA-N 1 0 97.161 0.758 50 0 in-vitro ACAARO C1C[NH2+][C@@]2(C1)CCOC2 83267370 166098474 /nfs/dbraw/zinc/09/84/74/166098474.db2.gz MYBGAQSNYATOKI-ZETCQYMHSA-N 1 0 127.187 0.529 50 0 in-vitro ACAARO C1C[NH2+][C@@H]2COCC[C@@H]2C1 24181052 166098618 /nfs/dbraw/zinc/09/86/18/166098618.db2.gz AWUHIBIWUREKQK-JGVFFNPUSA-N 1 0 141.214 0.775 50 0 ACAARO C1CO[C@@H](C[NH2+]C[C@H]2CCCO2)C1 1555521 166099156 /nfs/dbraw/zinc/09/91/56/166099156.db2.gz WLEPBZLOVVHVIK-NXEZZACHSA-N 1 0 185.267 0.934 50 0 ACAARO C1COCC2(CC2)C[NH2+]1 95829559 166099170 /nfs/dbraw/zinc/09/91/70/166099170.db2.gz SWIPIBOQWRVJQW-UHFFFAOYSA-N 1 0 127.187 0.386 50 0 in-vitro ACAARO C1CO[C@@H](COC2C[NH2+]C2)C1 42769821 166099188 /nfs/dbraw/zinc/09/91/88/166099188.db2.gz ZCCSMDFZRIFWOH-SSDOTTSWSA-N 1 0 157.213 0.154 50 0 ACAARO C1CO[C@H](CO[C@H]2CC[NH2+]C2)C1 14632069 166099196 /nfs/dbraw/zinc/09/91/96/166099196.db2.gz OXFDYGSXJXYMFY-IUCAKERBSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C1COC[C@@H](C2CCOCC2)[NH2+]1 82855568 166099208 /nfs/dbraw/zinc/09/92/08/166099208.db2.gz IBIZDOPRLFKJHM-VIFPVBQESA-N 1 0 171.240 0.401 50 0 ACAARO C1CO[C@H](CN2CC[NH2+]CC2)C1 19230051 166099254 /nfs/dbraw/zinc/09/92/54/166099254.db2.gz GKBPGHNDWVURBD-VIFPVBQESA-N 1 0 170.256 0.071 50 0 in-vitro ACAARO C1CO[C@@]2(C1)C[NH2+][C@@H]2C1CC1 238855907 166099375 /nfs/dbraw/zinc/09/93/75/166099375.db2.gz UATQYOHYZJQRNZ-BDAKNGLRSA-N 1 0 153.225 0.917 50 0 ACAARO C1CO[C@@H](C2CC2)CC[NH2+]1 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1 0 127.187 0.385 50 0 ACAARO C1[NH2+]C2CC1C2 64034384 166109907 /nfs/dbraw/zinc/10/99/07/166109907.db2.gz HAHYXYKFMHJMIE-UHFFFAOYSA-N 1 0 83.134 0.368 50 0 in-vitro ACAARO C1C[C@H]2[NH2+]CCO[C@@H]2C1 20262963 166110057 /nfs/dbraw/zinc/11/00/57/166110057.db2.gz FVHPPCBSLJVBQR-RNFRBKRXSA-N 1 0 127.187 0.527 50 0 in-vitro ACAARO C1C[C@H]2O[C@@H]1[C@@H]1C[NH2+]C[C@@H]12 66345751 166110068 /nfs/dbraw/zinc/11/00/68/166110068.db2.gz GPLRZNABQAUBOS-SOSBWXJGSA-N 1 0 139.198 0.383 50 0 ACAARO C1[NH2+]C[C@@H]2C[C@H]12 20596509 166110268 /nfs/dbraw/zinc/11/02/68/166110268.db2.gz HGWUUOXXAIISDB-SYDPRGILSA-N 1 0 83.134 0.226 50 0 in-vitro ACAARO C1C[C@H]2C[NH2+][C@@H]2C1 20596520 166110302 /nfs/dbraw/zinc/11/03/02/166110302.db2.gz GWFZPCFEIOINER-NTSWFWBYSA-N 1 0 97.161 0.758 50 0 ACAARO C1S[C@@H]2C[NH2+][C@H]1C2 12362980 166110797 /nfs/dbraw/zinc/11/07/97/166110797.db2.gz LTQBUWVDIKUNHJ-WHFBIAKZSA-N 1 0 115.201 0.464 50 0 ACAARO C=C/C=C/C[NH3+] 34119872 166140986 /nfs/dbraw/zinc/14/09/86/166140986.db2.gz HSFHMJJDUVEWRQ-ONEGZZNKSA-N 1 0 83.134 0.687 50 0 ACAARO C=C=CC[NH3+] 38522503 166152940 /nfs/dbraw/zinc/15/29/40/166152940.db2.gz JCWPPNJQFKFPKA-UHFFFAOYSA-N 1 0 69.107 0.286 50 0 in-vitro ACAARO C=CC(=O)NCCCCCC[NH3+] 2276282 166153580 /nfs/dbraw/zinc/15/35/80/166153580.db2.gz KYAKSPGXNQVMAA-UHFFFAOYSA-N 1 0 170.256 0.808 50 0 ACAARO C=CC(=O)NC1CC[NH+](C2CC2)CC1 37012464 166153977 /nfs/dbraw/zinc/15/39/77/166153977.db2.gz ZCSXUQJSNHPEES-UHFFFAOYSA-N 1 0 194.278 0.915 50 0 ACAARO C=CC(=O)N1CCC(C[NH3+])CC1 44512621 166154114 /nfs/dbraw/zinc/15/41/14/166154114.db2.gz PSRWOCLYIBJRTI-UHFFFAOYSA-N 1 0 168.240 0.370 50 0 in-vitro ACAARO C=CC(=O)N1CCC([NH3+])CC1 37117104 166154207 /nfs/dbraw/zinc/15/42/07/166154207.db2.gz LVDSNOXLHFQPQC-UHFFFAOYSA-N 1 0 154.213 0.122 50 0 in-vitro ACAARO C=CC(=O)N1[C@H](C)C[NH2+]C[C@H]1C 68912985 166154429 /nfs/dbraw/zinc/15/44/29/166154429.db2.gz KLXYCEOTJLBSHY-HTQZYQBOSA-N 1 0 168.240 0.381 50 0 ACAARO C=CC(=O)NCCC[NH+](C)C 2527964 166155054 /nfs/dbraw/zinc/15/50/54/166155054.db2.gz ADTJPOBHAXXXFS-UHFFFAOYSA-N 1 0 156.229 0.240 50 0 in-vitro ACAARO C=CC(=O)N1CCC([NH+](C)C)CC1 36335064 166155133 /nfs/dbraw/zinc/15/51/33/166155133.db2.gz YLXQICVLZWJHGZ-UHFFFAOYSA-N 1 0 182.267 0.725 50 0 ACAARO C=CC(=O)N1[C@@H](C)C[NH2+]C[C@H]1C 68912978 166155135 /nfs/dbraw/zinc/15/51/35/166155135.db2.gz KLXYCEOTJLBSHY-OCAPTIKFSA-N 1 0 168.240 0.381 50 0 ACAARO C=CC(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C 68912981 166155153 /nfs/dbraw/zinc/15/51/53/166155153.db2.gz KLXYCEOTJLBSHY-YUMQZZPRSA-N 1 0 168.240 0.381 50 0 ACAARO C=CC(=O)OCCC[NH+](C)C 2558984 166158299 /nfs/dbraw/zinc/15/82/99/166158299.db2.gz UFQHFMGRRVQFNA-UHFFFAOYSA-N 1 0 157.213 0.667 50 0 ACAARO C=CC(=O)OCC[NH+](C)C 1577266 166158704 /nfs/dbraw/zinc/15/87/04/166158704.db2.gz DPBJAVGHACCNRL-UHFFFAOYSA-N 1 0 143.186 0.277 50 0 ACAARO C1C2CC3CC(CC1O3)[NH2+]2 32178106 166082583 /nfs/dbraw/zinc/08/25/83/166082583.db2.gz BYUVHGGRVBURLF-UHFFFAOYSA-N 1 0 139.198 0.668 50 0 ACAARO C=COCC[NH+](C)C 1605900 166211554 /nfs/dbraw/zinc/21/15/54/166211554.db2.gz JWCDUUFOAZFFMX-UHFFFAOYSA-N 1 0 115.176 0.708 50 0 in-vitro ACAARO C=COCC[NH2+]CCOC=C 1679838 166212107 /nfs/dbraw/zinc/21/21/07/166212107.db2.gz XYZOZJCEKYPOHC-UHFFFAOYSA-N 1 0 157.213 0.896 50 0 ACAARO C=COCCC[NH3+] 2556946 166212116 /nfs/dbraw/zinc/21/21/16/166212116.db2.gz JPVNTYZOJCDQBK-UHFFFAOYSA-N 1 0 101.149 0.495 50 0 in-vitro ACAARO C=COCC[NH3+] 2386848 166212130 /nfs/dbraw/zinc/21/21/30/166212130.db2.gz CEYHHQSTMVVZQP-UHFFFAOYSA-N 1 0 87.122 0.105 50 0 ACAARO C=Cn1cc[n+](CC)c1 60183810 166224645 /nfs/dbraw/zinc/22/46/45/166224645.db2.gz MAXSYFSJUKUMRE-UHFFFAOYSA-N 1 0 123.179 0.896 50 0 ACAARO C=Cn1n[n+](C(C)(C)C)nc1C 52203 166226491 /nfs/dbraw/zinc/22/64/91/166226491.db2.gz YTDXRLDDLPLVQQ-UHFFFAOYSA-N 1 0 167.236 0.730 50 0 ACAARO CC(=[NH2+])N(C)C 62987097 166231074 /nfs/dbraw/zinc/23/10/74/166231074.db2.gz PAXRVGDTBDATMF-UHFFFAOYSA-N 1 0 86.138 0.545 50 0 in-vitro ACAARO CC(=O)C(C)(C)[NH3+] 4343299 166235767 /nfs/dbraw/zinc/23/57/67/166235767.db2.gz KNDSDAUZINPACQ-UHFFFAOYSA-N 1 0 101.149 0.313 50 0 in-vitro ACAARO CC(=O)C1CC[NH2+]CC1 6661048 166236879 /nfs/dbraw/zinc/23/68/79/166236879.db2.gz STNLQJRBZHAGSO-UHFFFAOYSA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO CC(=O)C1CC[NH+](C)CC1 5601891 166237247 /nfs/dbraw/zinc/23/72/47/166237247.db2.gz OOMMIHGVMHRTMK-UHFFFAOYSA-N 1 0 141.214 0.917 50 0 ACAARO CC(=O)CC(C)(C)[NH3+] 1510269 166238387 /nfs/dbraw/zinc/23/83/87/166238387.db2.gz CQTRUFMMCCOKTA-UHFFFAOYSA-N 1 0 115.176 0.703 50 0 biogenic,in-vitro ACAARO CC(=O)CC1CC[NH2+]CC1 33607497 166240776 /nfs/dbraw/zinc/24/07/76/166240776.db2.gz LKLPWBVOFQVJKZ-UHFFFAOYSA-N 1 0 141.214 0.965 50 0 ACAARO CC(=O)CC[NH+]1CCN(C)CC1 20303490 166241185 /nfs/dbraw/zinc/24/11/85/166241185.db2.gz BYCHDLKXOCAJJP-UHFFFAOYSA-N 1 0 170.256 0.213 50 0 ACAARO CC(=O)CC[NH+](C)C 5291077 166242107 /nfs/dbraw/zinc/24/21/07/166242107.db2.gz WQVAMFRPCWXWSS-UHFFFAOYSA-N 1 0 115.176 0.527 50 0 in-vitro ACAARO CC(=O)CN1CC[n+]2c(C)csc21 3050245 166243903 /nfs/dbraw/zinc/24/39/03/166243903.db2.gz NJJFXVYCSODRIY-UHFFFAOYSA-N 1 0 197.283 0.753 50 0 ACAARO CC(=O)C[NH2+]C(C)C 38893044 166243907 /nfs/dbraw/zinc/24/39/07/166243907.db2.gz YLSKXOORRICBCF-UHFFFAOYSA-N 1 0 115.176 0.573 50 0 ACAARO CC(=O)C[NH+]1CCCC1 34743443 166244019 /nfs/dbraw/zinc/24/40/19/166244019.db2.gz YZZYFRBPGIXHPD-UHFFFAOYSA-N 1 0 127.187 0.671 50 0 endogenous,in-man ACAARO CC(=O)C[NH+](C)C 1626897 166244211 /nfs/dbraw/zinc/24/42/11/166244211.db2.gz VFPKIWATTACVJR-UHFFFAOYSA-N 1 0 101.149 0.137 50 0 ACAARO CC(=O)Cc1cccc[n+]1C 5495290 166249034 /nfs/dbraw/zinc/24/90/34/166249034.db2.gz NZEYPZBAYANCFD-UHFFFAOYSA-N 1 0 150.201 0.643 50 0 ACAARO CC(=O)N(C)[C@H]1CCC[NH2+]C1 37653903 166251262 /nfs/dbraw/zinc/25/12/62/166251262.db2.gz RRYLJOLAPLXTEM-QMMMGPOBSA-N 1 0 156.229 0.217 50 0 ACAARO CC(=O)N(C)CC1CC[NH2+]CC1 78676098 166251805 /nfs/dbraw/zinc/25/18/05/166251805.db2.gz CFIVGAHZBGCMQS-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 ACAARO CC(=O)N(C(C)C)C1CC[NH2+]CC1 67800787 166251959 /nfs/dbraw/zinc/25/19/59/166251959.db2.gz RUIXNKRFDKFVLD-UHFFFAOYSA-N 1 0 184.283 0.995 50 0 ACAARO CC(=O)N(C)[C@@H]1CCC[NH2+]C1 37653902 166252613 /nfs/dbraw/zinc/25/26/13/166252613.db2.gz RRYLJOLAPLXTEM-MRVPVSSYSA-N 1 0 156.229 0.217 50 0 ACAARO CC(=O)N(C)C1CC[NH2+]CC1 36283143 166252689 /nfs/dbraw/zinc/25/26/89/166252689.db2.gz UGQXPTUMTGDBJJ-UHFFFAOYSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 79438194 166254780 /nfs/dbraw/zinc/25/47/80/166254780.db2.gz AMRWOQMTWUNCTB-SECBINFHSA-N 1 0 182.267 0.749 50 0 in-vitro ACAARO CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 79438192 166254954 /nfs/dbraw/zinc/25/49/54/166254954.db2.gz AMRWOQMTWUNCTB-VIFPVBQESA-N 1 0 182.267 0.749 50 0 in-vitro ACAARO CC(=O)N(CCC[NH3+])C(C)C 32628154 166255586 /nfs/dbraw/zinc/25/55/86/166255586.db2.gz QJCNMBQEDHBGSQ-UHFFFAOYSA-N 1 0 158.245 0.592 50 0 ACAARO CC(=O)N(C1CC[NH2+]CC1)C1CC1 79438213 166255858 /nfs/dbraw/zinc/25/58/58/166255858.db2.gz RBDMALDPMMXVKF-UHFFFAOYSA-N 1 0 182.267 0.749 50 0 ACAARO CC(=O)N1CCC2(CC1)C[NH2+]C2 95938211 166256864 /nfs/dbraw/zinc/25/68/64/166256864.db2.gz RJBGDSXUIAWZNV-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 ACAARO CC(=O)N1CCC(C(N)=[NH2+])CC1 83428655 166257865 /nfs/dbraw/zinc/25/78/65/166257865.db2.gz JJMRXVXSRQAIFX-UHFFFAOYSA-N 1 0 169.228 0.181 50 0 in-vitro ACAARO CC(=O)N1CCC2(CC[NH2+]CC2)C1 72233256 166258204 /nfs/dbraw/zinc/25/82/04/166258204.db2.gz BBIOBMZWYRYMPK-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 in-vitro ACAARO CC(=O)N1CCC(CC[NH3+])CC1 39072610 166258418 /nfs/dbraw/zinc/25/84/18/166258418.db2.gz KCVCXSGVHBGIHR-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO CC(=O)N1CCC([NH2+]C2CC2)CC1 153943 166258576 /nfs/dbraw/zinc/25/85/76/166258576.db2.gz KWLJTPCIXGQHSB-UHFFFAOYSA-N 1 0 182.267 0.749 50 0 in-vitro ACAARO CC(=O)N1CCC([NH2+]C(C)C)CC1 12359879 166258847 /nfs/dbraw/zinc/25/88/47/166258847.db2.gz SFIVDPWNXSXQNS-UHFFFAOYSA-N 1 0 184.283 0.995 50 0 ACAARO CC(=O)N1CCC(C[NH3+])CC1 12379395 166259229 /nfs/dbraw/zinc/25/92/29/166259229.db2.gz NHULDSLAXOHLGR-UHFFFAOYSA-N 1 0 156.229 0.204 50 0 in-vitro ACAARO CC(=O)N1CCC[C@H](C[NH3+])C1 12379398 166260279 /nfs/dbraw/zinc/26/02/79/166260279.db2.gz UWOMLUIOZZSCPN-MRVPVSSYSA-N 1 0 156.229 0.204 50 0 in-vitro ACAARO CC(=O)N1CC[NH+](C(C)C)CC1 32751285 166261534 /nfs/dbraw/zinc/26/15/34/166261534.db2.gz DEYWUBLOMUNNKY-UHFFFAOYSA-N 1 0 170.256 0.559 50 0 ACAARO CC(=O)N1CC[NH2+]C(C)(C)C1 62566312 166261880 /nfs/dbraw/zinc/26/18/80/166261880.db2.gz XVWBIXSBHLGBBA-UHFFFAOYSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO CC(=O)N1CCC[C@@H](C[NH3+])C1 12379399 166261961 /nfs/dbraw/zinc/26/19/61/166261961.db2.gz UWOMLUIOZZSCPN-QMMMGPOBSA-N 1 0 156.229 0.204 50 0 in-vitro ACAARO CC(=O)N1CC[NH+](CC2CC2)CC1 41202155 166262597 /nfs/dbraw/zinc/26/25/97/166262597.db2.gz MLGXIAYMKYYJTL-UHFFFAOYSA-N 1 0 182.267 0.561 50 0 ACAARO CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2CC1 59570414 166263328 /nfs/dbraw/zinc/26/33/28/166263328.db2.gz LWNZPPREVFPPPF-AOOOYVTPSA-N 1 0 182.267 0.464 50 0 ACAARO CC(=O)N1CC[C@H]([NH2+]CC(C)C)C1 12359775 166263478 /nfs/dbraw/zinc/26/34/78/166263478.db2.gz JSFIPTGFMYPBMD-JTQLQIEISA-N 1 0 184.283 0.853 50 0 ACAARO CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 82164684 166263940 /nfs/dbraw/zinc/26/39/40/166263940.db2.gz UPEWNNQEXBGTAZ-POYBYMJQSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 82164681 166264405 /nfs/dbraw/zinc/26/44/05/166264405.db2.gz UPEWNNQEXBGTAZ-HTRCEHHLSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 82164675 166264647 /nfs/dbraw/zinc/26/46/47/166264647.db2.gz UPEWNNQEXBGTAZ-SVRRBLITSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 12359774 166265175 /nfs/dbraw/zinc/26/51/75/166265175.db2.gz JSFIPTGFMYPBMD-SNVBAGLBSA-N 1 0 184.283 0.853 50 0 ACAARO CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 82164678 166265237 /nfs/dbraw/zinc/26/52/37/166265237.db2.gz UPEWNNQEXBGTAZ-XPUUQOCRSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(=O)N1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 163690286 166265893 /nfs/dbraw/zinc/26/58/93/166265893.db2.gz NGEQCXDBQCJUKR-IVZWLZJFSA-N 1 0 182.267 0.592 50 0 in-vitro ACAARO CC(=O)N1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163690041 166266001 /nfs/dbraw/zinc/26/60/01/166266001.db2.gz NGEQCXDBQCJUKR-AEJSXWLSSA-N 1 0 182.267 0.592 50 0 in-vitro ACAARO CC(=O)N1C[C@H]2[NH2+]CCCC[C@@H]2C1 77010487 166266057 /nfs/dbraw/zinc/26/60/57/166266057.db2.gz DSIBUSHANFBFHH-NXEZZACHSA-N 1 0 182.267 0.607 50 0 ACAARO CC(=O)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 77010485 166266076 /nfs/dbraw/zinc/26/60/76/166266076.db2.gz DSIBUSHANFBFHH-VHSXEESVSA-N 1 0 182.267 0.607 50 0 ACAARO CC(=O)N1[C@H](C)C[NH2+]C[C@H]1C 39070240 166266254 /nfs/dbraw/zinc/26/62/54/166266254.db2.gz GMIYNBYIVKBBTO-RNFRBKRXSA-N 1 0 156.229 0.215 50 0 ACAARO CC(=O)N1C[C@@H]2CCCC[NH2+][C@H]2C1 77010491 166267052 /nfs/dbraw/zinc/26/70/52/166267052.db2.gz DSIBUSHANFBFHH-UWVGGRQHSA-N 1 0 182.267 0.607 50 0 ACAARO CC(=O)N1C[C@H]2CCCC[NH2+][C@H]2C1 77010495 166267323 /nfs/dbraw/zinc/26/73/23/166267323.db2.gz DSIBUSHANFBFHH-ZJUUUORDSA-N 1 0 182.267 0.607 50 0 ACAARO CC(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C 39070238 166267350 /nfs/dbraw/zinc/26/73/50/166267350.db2.gz GMIYNBYIVKBBTO-BQBZGAKWSA-N 1 0 156.229 0.215 50 0 ACAARO CC(=O)N1[C@@H](C)C[NH2+]C[C@H]1C 39070236 166267494 /nfs/dbraw/zinc/26/74/94/166267494.db2.gz GMIYNBYIVKBBTO-KNVOCYPGSA-N 1 0 156.229 0.215 50 0 ACAARO CC(=O)NC1CCC([NH3+])CC1 19421948 166268255 /nfs/dbraw/zinc/26/82/55/166268255.db2.gz DGCIBJXJCNPBTN-UHFFFAOYSA-N 1 0 156.229 0.392 50 0 in-vitro ACAARO CC(=O)NC1CC[NH+](C(C)C)CC1 20468924 166269413 /nfs/dbraw/zinc/26/94/13/166269413.db2.gz HQEOYQPFHOXFOU-UHFFFAOYSA-N 1 0 184.283 0.995 50 0 ACAARO CC(=O)NCCCCC[NH3+] 5160191 166270842 /nfs/dbraw/zinc/27/08/42/166270842.db2.gz RMOIHHAKNOFHOE-UHFFFAOYSA-N 1 0 144.218 0.252 50 0 endogenous,in-man ACAARO CC(=O)NCC1CC[NH2+]CC1 4312805 166270974 /nfs/dbraw/zinc/27/09/74/166270974.db2.gz CFRYMBOECAAAQY-UHFFFAOYSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO CC(=O)NCCC[NH2+]C(C)(C)C 95918040 166271294 /nfs/dbraw/zinc/27/12/94/166271294.db2.gz DWGDSPYGHJHJMG-UHFFFAOYSA-N 1 0 172.272 0.901 50 0 ACAARO CC(=O)NCCC[NH+](C)C 1600947 166271351 /nfs/dbraw/zinc/27/13/51/166271351.db2.gz OHLICMMXIJECIN-UHFFFAOYSA-N 1 0 144.218 0.074 50 0 ACAARO CC(=O)NCCCCCC[NH3+] 2570875 166271375 /nfs/dbraw/zinc/27/13/75/166271375.db2.gz WRJPJZTWQTUPQK-UHFFFAOYSA-N 1 0 158.245 0.642 50 0 ACAARO CC(=O)NCC[NH2+][C@H]1CCSC1 20148736 166271888 /nfs/dbraw/zinc/27/18/88/166271888.db2.gz NTIJQRMPMICRFC-QMMMGPOBSA-N 1 0 188.296 0.218 50 0 in-vitro ACAARO CC(=O)NCC1([NH3+])CCCCC1 98213666 166272567 /nfs/dbraw/zinc/27/25/67/166272567.db2.gz OSAYYDDKQDEYPU-UHFFFAOYSA-N 1 0 170.256 0.784 50 0 ACAARO CC(=O)NCC[NH2+][C@@H]1CCSC1 20148735 166272736 /nfs/dbraw/zinc/27/27/36/166272736.db2.gz NTIJQRMPMICRFC-MRVPVSSYSA-N 1 0 188.296 0.218 50 0 in-vitro ACAARO 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/nfs/dbraw/zinc/27/62/66/166276266.db2.gz KAIPSSANSKXTLM-VIFPVBQESA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CC(=O)NN1Cc2ccccc2C1=[NH2+] 5305857 166277064 /nfs/dbraw/zinc/27/70/64/166277064.db2.gz FLQQIEPERWHEPS-UHFFFAOYSA-N 1 0 189.218 0.879 50 0 ACAARO CC(=O)NCc1nc(C[NH3+])cs1 83341066 166277155 /nfs/dbraw/zinc/27/71/55/166277155.db2.gz SMZNDEOWOOOKTC-UHFFFAOYSA-N 1 0 185.252 0.238 50 0 ACAARO CC(=O)N[C@@H](C)C1CC[NH2+]CC1 35689546 166277858 /nfs/dbraw/zinc/27/78/58/166277858.db2.gz BPRBTTFXQRPWER-ZETCQYMHSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO CC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 100203489 166281379 /nfs/dbraw/zinc/28/13/79/166281379.db2.gz DGCIBJXJCNPBTN-ZKCHVHJHSA-N 1 0 156.229 0.392 50 0 in-vitro ACAARO CC(=O)N[C@H](C)C1CC[NH2+]CC1 35689548 166282953 /nfs/dbraw/zinc/28/29/53/166282953.db2.gz BPRBTTFXQRPWER-SSDOTTSWSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO CC(=O)Nc1ccc(NC(N)=[NH2+])cc1 31772053 166284049 /nfs/dbraw/zinc/28/40/49/166284049.db2.gz DMGVDCFBSMNYKP-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/34/51/12/166345112.db2.gz NPXQQVKSWPXMDX-ZETCQYMHSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)(C)C(=O)N1CC[C@H](C[NH3+])C1 50246068 166345141 /nfs/dbraw/zinc/34/51/41/166345141.db2.gz DGFLJEADWWWFGE-MRVPVSSYSA-N 1 0 184.283 0.840 50 0 in-vitro ACAARO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])C1 50228605 166345785 /nfs/dbraw/zinc/34/57/85/166345785.db2.gz NPXQQVKSWPXMDX-SSDOTTSWSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)(C)C(=O)N1CCC[NH2+]CC1 19679928 166346073 /nfs/dbraw/zinc/34/60/73/166346073.db2.gz KAHFTSDJXTZGIK-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CC(C)(C)C(=O)NC1CC[NH2+]CC1 4910456 166346326 /nfs/dbraw/zinc/34/63/26/166346326.db2.gz KQQRSEOEXIQMQE-UHFFFAOYSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)(C)C(=O)N1CCC[C@H]([NH3+])C1 41043828 166346466 /nfs/dbraw/zinc/34/64/66/166346466.db2.gz XOXLNGPFBITEHA-QMMMGPOBSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)(C)C(=O)N[C@H]1CCC[NH2+]C1 19386681 166346535 /nfs/dbraw/zinc/34/65/35/166346535.db2.gz LIWLHRSKINQNMI-QMMMGPOBSA-N 1 0 184.283 0.901 50 0 in-vitro ACAARO CC(C)(C)C(=O)NC1CC([NH3+])C1 36237251 166346627 /nfs/dbraw/zinc/34/66/27/166346627.db2.gz ZVDKPCNKDHWBNN-UHFFFAOYSA-N 1 0 170.256 0.638 50 0 ACAARO CC(C)(C)C(=O)N1CC[NH2+]CC1 2540617 166346839 /nfs/dbraw/zinc/34/68/39/166346839.db2.gz FPXOBQQMHSMJMN-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 in-vitro ACAARO CC(C)(C)C(=O)N[C@@H]1CCC[NH2+]C1 19386679 166346932 /nfs/dbraw/zinc/34/69/32/166346932.db2.gz LIWLHRSKINQNMI-MRVPVSSYSA-N 1 0 184.283 0.901 50 0 in-vitro ACAARO CC(C)(C)CC(=O)N1CC[NH2+]CC1 20282511 166348383 /nfs/dbraw/zinc/34/83/83/166348383.db2.gz AXTVUKIOKILONV-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 ACAARO CC(C)(C)CC[C@H]([NH3+])C(N)=O 83144598 166350342 /nfs/dbraw/zinc/35/03/42/166350342.db2.gz VTCAPSIEEUTMNG-LURJTMIESA-N 1 0 158.245 0.625 50 0 in-vitro ACAARO CC(C)(C)CN1CC[NH2+]CC1 19801357 166350681 /nfs/dbraw/zinc/35/06/81/166350681.db2.gz QRHQUUUKPRHWRO-UHFFFAOYSA-N 1 0 156.273 0.938 50 0 in-vitro ACAARO CC(C)(C)CC[C@@H]([NH3+])C(N)=O 83144600 166351117 /nfs/dbraw/zinc/35/11/17/166351117.db2.gz VTCAPSIEEUTMNG-ZCFIWIBFSA-N 1 0 158.245 0.625 50 0 in-vitro ACAARO CC(C)(C)CN1C[C@@H]([NH3+])CC1=O 40494812 166351611 /nfs/dbraw/zinc/35/16/11/166351611.db2.gz FYYNWVAFIBKSQB-ZETCQYMHSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)(C)C[NH3+] 1648992 166351848 /nfs/dbraw/zinc/35/18/48/166351848.db2.gz XDIAMRVROCPPBK-UHFFFAOYSA-N 1 0 87.166 0.991 50 0 in-vitro ACAARO CC(C)(C)C[NH2+]CCO 1685544 166353447 /nfs/dbraw/zinc/35/34/47/166353447.db2.gz MTPDACKXWMOHEB-UHFFFAOYSA-N 1 0 131.219 0.614 50 0 in-vitro ACAARO CC(C)(C)CN1C[C@H]([NH3+])CC1=O 40494811 166353732 /nfs/dbraw/zinc/35/37/32/166353732.db2.gz FYYNWVAFIBKSQB-SSDOTTSWSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)(C)CNC(=O)C(C)(C)[NH3+] 40924867 166355018 /nfs/dbraw/zinc/35/50/18/166355018.db2.gz LZPWOPQOMACGIL-UHFFFAOYSA-N 1 0 172.272 0.886 50 0 in-vitro ACAARO CC(C)(C)C[C@@H]([NH3+])CN 61839769 166355894 /nfs/dbraw/zinc/35/58/94/166355894.db2.gz NWMYXAPASNVRQE-ZCFIWIBFSA-N 1 0 130.235 0.709 50 0 in-vitro ACAARO CC(C)(C)C[C@@H](O)C[NH3+] 61840487 166356080 /nfs/dbraw/zinc/35/60/80/166356080.db2.gz QZVAIVSSWVSYCP-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)C[C@H]([NH3+])CO 34516102 166356951 /nfs/dbraw/zinc/35/69/51/166356951.db2.gz OCJXWXGVDQCFJW-LURJTMIESA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)C[C@H]([NH3+])CN 61839768 166357335 /nfs/dbraw/zinc/35/73/35/166357335.db2.gz NWMYXAPASNVRQE-LURJTMIESA-N 1 0 130.235 0.709 50 0 in-vitro ACAARO CC(C)(C)C[C@H](O)C[NH3+] 61840486 166357370 /nfs/dbraw/zinc/35/73/70/166357370.db2.gz QZVAIVSSWVSYCP-LURJTMIESA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)C[C@@H]([NH3+])CO 44463803 166357534 /nfs/dbraw/zinc/35/75/34/166357534.db2.gz OCJXWXGVDQCFJW-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)[NH+](CCO)CCO 396185 166358500 /nfs/dbraw/zinc/35/85/00/166358500.db2.gz XHJGXOOOMKCJPP-UHFFFAOYSA-N 1 0 161.245 0.072 50 0 ACAARO CC(C)(C)N1C[C@H](C[NH3+])CC1=O 19089200 166358706 /nfs/dbraw/zinc/35/87/06/166358706.db2.gz OEXQKGOAZYILFN-ZETCQYMHSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC(C)(C)[N@@H+]1CC[C@@H]1CO 1722212 166359064 /nfs/dbraw/zinc/35/90/64/166359064.db2.gz VGWGGPWCDSSOEC-SSDOTTSWSA-N 1 0 143.230 0.852 50 0 ACAARO CC(C)(C)[NH+]1CCNCC1 19801188 166359217 /nfs/dbraw/zinc/35/92/17/166359217.db2.gz PVMNSAIKFPWDQG-UHFFFAOYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC(C)(C)N1C[C@@H]([NH3+])CC1=O 20440502 166359612 /nfs/dbraw/zinc/35/96/12/166359612.db2.gz ZXKDFJHWRPDCJR-LURJTMIESA-N 1 0 156.229 0.345 50 0 in-vitro ACAARO CC(C)(C)[N@@H+]1CC[C@H](N)C1 33426991 166359700 /nfs/dbraw/zinc/35/97/00/166359700.db2.gz UTEZMBDWXGWOQJ-ZETCQYMHSA-N 1 0 142.246 0.818 50 0 in-vitro ACAARO CC(C)(C)N1CC[C@H]([NH3+])C1=O 49647137 166359773 /nfs/dbraw/zinc/35/97/73/166359773.db2.gz FDAXMCBBSSNYSW-LURJTMIESA-N 1 0 156.229 0.345 50 0 ACAARO CC(C)(C)N1C[C@@H](C[NH3+])CC1=O 19089197 166359831 /nfs/dbraw/zinc/35/98/31/166359831.db2.gz OEXQKGOAZYILFN-SSDOTTSWSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC(C)(C)NC(N)=[NH2+] 39307401 166359838 /nfs/dbraw/zinc/35/98/38/166359838.db2.gz CVNWTAXWQHMONY-UHFFFAOYSA-N 1 0 115.180 0.268 50 0 ACAARO CC(C)(C)NC(=O)C(C)(C)[NH3+] 17403786 166360069 /nfs/dbraw/zinc/36/00/69/166360069.db2.gz ZUVGMHPQWJDXHH-UHFFFAOYSA-N 1 0 158.245 0.638 50 0 in-vitro ACAARO CC(C)(C)[NH+]1CC(O)C1 65001 166360106 /nfs/dbraw/zinc/36/01/06/166360106.db2.gz SSQMTFZAUDZFTK-UHFFFAOYSA-N 1 0 129.203 0.461 50 0 in-vitro ACAARO CC(C)(C)N1CC([NH3+])C1 34278507 166360115 /nfs/dbraw/zinc/36/01/15/166360115.db2.gz ZXCILCWPMKLEDC-UHFFFAOYSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO CC(C)(C)[N@@H+]1CC[C@H]1CO 4982854 166360187 /nfs/dbraw/zinc/36/01/87/166360187.db2.gz VGWGGPWCDSSOEC-ZETCQYMHSA-N 1 0 143.230 0.852 50 0 ACAARO CC(C)(C)N1C[C@H]([NH3+])CC1=O 20440507 166360225 /nfs/dbraw/zinc/36/02/25/166360225.db2.gz ZXKDFJHWRPDCJR-ZCFIWIBFSA-N 1 0 156.229 0.345 50 0 in-vitro ACAARO CC(C)(C)[NH3+] 4789979 166360245 /nfs/dbraw/zinc/36/02/45/166360245.db2.gz YBRBMKDOPFTVDT-UHFFFAOYSA-N 1 0 73.139 0.744 50 0 in-vitro ACAARO CC(C)(C)N1CC[C@@H]1C[NH3+] 19366557 166360881 /nfs/dbraw/zinc/36/08/81/166360881.db2.gz FPTNQKRYZXLXLB-SSDOTTSWSA-N 1 0 142.246 0.818 50 0 ACAARO CC(C)(C)[N@@H+]1CC[C@@H](O)C1 77260436 166361020 /nfs/dbraw/zinc/36/10/20/166361020.db2.gz FOETXFLONXERFX-SSDOTTSWSA-N 1 0 143.230 0.852 50 0 ACAARO CC(C)(C)[N@@H+]1CC[C@@H](N)C1 33426990 166361067 /nfs/dbraw/zinc/36/10/67/166361067.db2.gz UTEZMBDWXGWOQJ-SSDOTTSWSA-N 1 0 142.246 0.818 50 0 in-vitro ACAARO CC(C)(C)N1CC[C@H]1C[NH3+] 22586514 166361157 /nfs/dbraw/zinc/36/11/57/166361157.db2.gz FPTNQKRYZXLXLB-ZETCQYMHSA-N 1 0 142.246 0.818 50 0 ACAARO CC(C)(C)N1CC[C@@H]([NH3+])C1=O 49647138 166361263 /nfs/dbraw/zinc/36/12/63/166361263.db2.gz FDAXMCBBSSNYSW-ZCFIWIBFSA-N 1 0 156.229 0.345 50 0 ACAARO CC(C)(C)[N@@H+]1CC[C@H](O)C1 77260435 166361386 /nfs/dbraw/zinc/36/13/86/166361386.db2.gz FOETXFLONXERFX-ZETCQYMHSA-N 1 0 143.230 0.852 50 0 ACAARO CC(C)(C)NC(=O)[C@H]1CCC[NH2+]1 19409570 166362081 /nfs/dbraw/zinc/36/20/81/166362081.db2.gz BNUUSRSYNZFTBX-SSDOTTSWSA-N 1 0 170.256 0.653 50 0 ACAARO CC(C)(C)NC(=O)N[C@@H]1CCC[NH2+]C1 20256848 166362116 /nfs/dbraw/zinc/36/21/16/166362116.db2.gz QCIMGEFADJUJSD-MRVPVSSYSA-N 1 0 199.298 0.836 50 0 ACAARO CC(C)(C)NC(=O)N[C@H]1CCC[NH2+]C1 20256849 166362172 /nfs/dbraw/zinc/36/21/72/166362172.db2.gz QCIMGEFADJUJSD-QMMMGPOBSA-N 1 0 199.298 0.836 50 0 ACAARO CC(C)(C)NC(=O)N1CCC([NH3+])CC1 20256203 166362740 /nfs/dbraw/zinc/36/27/40/166362740.db2.gz NRQBAFUKVDMHHH-UHFFFAOYSA-N 1 0 199.298 0.918 50 0 in-vitro ACAARO CC(C)(C)NC(=O)C1CC[NH2+]CC1 4298669 166363049 /nfs/dbraw/zinc/36/30/49/166363049.db2.gz RVLXBOPJKYOSKH-UHFFFAOYSA-N 1 0 184.283 0.901 50 0 in-vitro ACAARO CC(C)(C)NC(=O)CC[NH3+] 11755232 166363413 /nfs/dbraw/zinc/36/34/13/166363413.db2.gz IWRPQMHTKWRIMR-UHFFFAOYSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CC(C)(C)NC(=O)[C@@H]1CCC[NH2+]C1 19411933 166363585 /nfs/dbraw/zinc/36/35/85/166363585.db2.gz BSCHGEGCEXMNMO-MRVPVSSYSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)(C)[NH2+]CCC(N)=O 19736889 166363635 /nfs/dbraw/zinc/36/36/35/166363635.db2.gz GCKGKTYJDWPLCG-UHFFFAOYSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CC(C)(C)NC(=O)[C@@H]1CCC[NH2+]1 11754497 166363812 /nfs/dbraw/zinc/36/38/12/166363812.db2.gz BNUUSRSYNZFTBX-ZETCQYMHSA-N 1 0 170.256 0.653 50 0 ACAARO CC(C)(C)NC(=O)[C@H]1CCC[NH2+]C1 19411935 166364004 /nfs/dbraw/zinc/36/40/04/166364004.db2.gz BSCHGEGCEXMNMO-QMMMGPOBSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)(C)[NH2+]CCO 1718827 166364769 /nfs/dbraw/zinc/36/47/69/166364769.db2.gz IUXYVKZUDNLISR-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC(C)(C)[NH2+][C@@H]1COC[C@H]1O 37882962 166364977 /nfs/dbraw/zinc/36/49/77/166364977.db2.gz ZOJINERDSOVKHL-RNFRBKRXSA-N 1 0 159.229 0.134 50 0 ACAARO CC(C)(C)[NH2+]CCS(C)(=O)=O 37743400 166365141 /nfs/dbraw/zinc/36/51/41/166365141.db2.gz FSEDFFWXKHUOFO-UHFFFAOYSA-N 1 0 179.285 0.419 50 0 in-vitro ACAARO CC(C)(C)[NH2+]Cc1cnn[nH]1 41050764 166365673 /nfs/dbraw/zinc/36/56/73/166365673.db2.gz VOVRWGSILIBZHP-UHFFFAOYSA-N 1 0 154.217 0.693 50 0 ACAARO CC(C)(C)[NH2+]C[C@H]1CO1 35635752 166366287 /nfs/dbraw/zinc/36/62/87/166366287.db2.gz PZMYHLFQJXHHLD-LURJTMIESA-N 1 0 129.203 0.773 50 0 ACAARO CC(C)(C)[NH2+]CCN 19732707 166366332 /nfs/dbraw/zinc/36/63/32/166366332.db2.gz JYXKYKIDIKVWNY-UHFFFAOYSA-N 1 0 116.208 0.333 50 0 in-vitro ACAARO CC(C)(C)[NH2+]CCCO 5284070 166366342 /nfs/dbraw/zinc/36/63/42/166366342.db2.gz PGOFJDZYVIIGGD-UHFFFAOYSA-N 1 0 131.219 0.757 50 0 in-vitro ACAARO CC(C)(C)[NH2+]C[C@@H]1CO1 35635765 166366389 /nfs/dbraw/zinc/36/63/89/166366389.db2.gz PZMYHLFQJXHHLD-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 ACAARO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]CC[C@H]21 95630799 166367259 /nfs/dbraw/zinc/36/72/59/166367259.db2.gz BDVMAANWMDTLFP-JGVFFNPUSA-N 1 0 198.266 0.968 50 0 ACAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@@H]21 95630792 166367279 /nfs/dbraw/zinc/36/72/79/166367279.db2.gz WFUBKOZDTGFCJO-SFYZADRCSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2C[C@H]21 57219034 166367294 /nfs/dbraw/zinc/36/72/94/166367294.db2.gz MALCQJIQWIWGOV-JGVFFNPUSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@H]2[C@H]([NH3+])[C@H]2C1 100014031 166367321 /nfs/dbraw/zinc/36/73/21/166367321.db2.gz UWWZMHWHRBGMIT-JIGDXULJSA-N 1 0 198.266 0.810 50 0 ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@H]21 16697148 166367382 /nfs/dbraw/zinc/36/73/82/166367382.db2.gz YPCQQZHIBTVQAB-YUMQZZPRSA-N 1 0 198.266 0.825 50 0 in-vitro ACAARO CC(C)(C)OC(=O)CC[NH3+] 402635 166367512 /nfs/dbraw/zinc/36/75/12/166367512.db2.gz ZJXHVYSDMUKUCA-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC2(CC[NH2+]2)C1 71790825 166367615 /nfs/dbraw/zinc/36/76/15/166367615.db2.gz WDVOLHDNUMLNAK-UHFFFAOYSA-N 1 0 198.266 0.969 50 0 ACAARO CC(C)(C)OC(=O)CCOCC[NH3+] 79016736 166367658 /nfs/dbraw/zinc/36/76/58/166367658.db2.gz NSCCYXHEZRMPPH-UHFFFAOYSA-N 1 0 189.255 0.694 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@H]21 95630794 166367685 /nfs/dbraw/zinc/36/76/85/166367685.db2.gz WFUBKOZDTGFCJO-HTQZYQBOSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@@H]2C1 16697154 166367696 /nfs/dbraw/zinc/36/76/96/166367696.db2.gz YKGWXZRHRQUYTA-JGVFFNPUSA-N 1 0 198.266 0.825 50 0 ACAARO CC(C)(C)OC(=O)N1CC2(C[NH2+]C2)C1 32914875 166367698 /nfs/dbraw/zinc/36/76/98/166367698.db2.gz KVOUHLVOTMOJBS-UHFFFAOYSA-N 1 0 198.266 0.827 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]C[C@@H]2C1 16697156 166367713 /nfs/dbraw/zinc/36/77/13/166367713.db2.gz YKGWXZRHRQUYTA-HTQZYQBOSA-N 1 0 198.266 0.825 50 0 ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[NH2+]2 57219030 166367741 /nfs/dbraw/zinc/36/77/41/166367741.db2.gz FCRTVZBUJDHXNR-OCAPTIKFSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@H]21 16697151 166367836 /nfs/dbraw/zinc/36/78/36/166367836.db2.gz YPCQQZHIBTVQAB-JGVFFNPUSA-N 1 0 198.266 0.825 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC(C(N)=[NH2+])C1 76637819 166367920 /nfs/dbraw/zinc/36/79/20/166367920.db2.gz WYLGGYXHNPYCNF-UHFFFAOYSA-N 1 0 199.254 0.789 50 0 ACAARO CC(C)(C)OC(=O)N1CC2(C[C@H]2[NH3+])C1 107188860 166368002 /nfs/dbraw/zinc/36/80/02/166368002.db2.gz UNUOLJNMRCIQCY-SSDOTTSWSA-N 1 0 198.266 0.955 50 0 ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@H]2C1 16697158 166368042 /nfs/dbraw/zinc/36/80/42/166368042.db2.gz YKGWXZRHRQUYTA-YUMQZZPRSA-N 1 0 198.266 0.825 50 0 ACAARO CC(C)(C)OC(=O)N1CC[C@H]1C[NH3+] 16083194 166368126 /nfs/dbraw/zinc/36/81/26/166368126.db2.gz XTIGSUFOTRCYOO-ZETCQYMHSA-N 1 0 186.255 0.955 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2[NH3+] 104548893 166368234 /nfs/dbraw/zinc/36/82/34/166368234.db2.gz MVDURHAWUZLLLY-PRJMDXOYSA-N 1 0 198.266 0.953 50 0 ACAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 403198 166368477 /nfs/dbraw/zinc/36/84/77/166368477.db2.gz UXAWXZDXVOYLII-YUMQZZPRSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[NH+]=C(N)C1 39084662 166368665 /nfs/dbraw/zinc/36/86/65/166368665.db2.gz AQYJBWNCDKSQJH-UHFFFAOYSA-N 1 0 199.254 0.594 50 0 ACAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@@H]21 95630793 166368668 /nfs/dbraw/zinc/36/86/68/166368668.db2.gz WFUBKOZDTGFCJO-YUMQZZPRSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2C[C@@H]21 57219033 166368680 /nfs/dbraw/zinc/36/86/80/166368680.db2.gz MALCQJIQWIWGOV-SFYZADRCSA-N 1 0 198.266 0.968 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2([NH3+])C1 39084501 166368682 /nfs/dbraw/zinc/36/86/82/166368682.db2.gz RYGHDJBBUKJALE-GMSGAONNSA-N 1 0 198.266 0.955 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[NH2+]CC1 152447 166368712 /nfs/dbraw/zinc/36/87/12/166368712.db2.gz CWXPZXBSDSIRCS-UHFFFAOYSA-N 1 0 186.255 0.827 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C1 403624 166368736 /nfs/dbraw/zinc/36/87/36/166368736.db2.gz CMIBWIAICVBURI-ZETCQYMHSA-N 1 0 186.255 0.955 50 0 in-vitro ACAARO 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/nfs/dbraw/zinc/37/00/19/166370019.db2.gz KZDKDSWGCFVJCE-ZETCQYMHSA-N 1 0 188.271 0.394 50 0 ACAARO CC(C)(C)OC(=O)NOCCC[NH3+] 39091100 166370042 /nfs/dbraw/zinc/37/00/42/166370042.db2.gz OKYUIKBFUVQYSQ-UHFFFAOYSA-N 1 0 190.243 0.792 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NC1C[NH2+]C1 4203907 166370265 /nfs/dbraw/zinc/37/02/65/166370265.db2.gz NEMXVXVJGXZDRR-UHFFFAOYSA-N 1 0 172.228 0.483 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@@]12C[NH2+]C[C@@H]1C2 39091201 166370355 /nfs/dbraw/zinc/37/03/55/166370355.db2.gz IJHTZGBRXSYOMG-XVKPBYJWSA-N 1 0 198.266 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@]12C[NH2+]C[C@H]1C2 39091200 166370389 /nfs/dbraw/zinc/37/03/89/166370389.db2.gz IJHTZGBRXSYOMG-GMSGAONNSA-N 1 0 198.266 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NC1[C@@H]2C[NH2+]C[C@H]12 38283543 166370483 /nfs/dbraw/zinc/37/04/83/166370483.db2.gz QIYOMZXJQAKHEK-DHBOJHSNSA-N 1 0 198.266 0.729 50 0 ACAARO CC(C)(C)OC(=O)NCC1C[NH2+]C1 2386281 166370576 /nfs/dbraw/zinc/37/05/76/166370576.db2.gz MOLUHRBHXXGWDP-UHFFFAOYSA-N 1 0 186.255 0.731 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NCCC[NH3+] 2557991 166370670 /nfs/dbraw/zinc/37/06/70/166370670.db2.gz POHWAQLZBIMPRN-UHFFFAOYSA-N 1 0 174.244 0.860 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NC[C@H]1CC[NH2+]1 34264463 166370675 /nfs/dbraw/zinc/37/06/75/166370675.db2.gz QMZBFSZZEGSSPH-SSDOTTSWSA-N 1 0 186.255 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 100052663 166371070 /nfs/dbraw/zinc/37/10/70/166371070.db2.gz QIYOMZXJQAKHEK-JIGDXULJSA-N 1 0 198.266 0.729 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H]1[NH3+] 12506143 166371098 /nfs/dbraw/zinc/37/10/98/166371098.db2.gz XDHLWTHTPXBYLH-WDSKDSINSA-N 1 0 172.228 0.611 50 0 ACAARO CC(C)(C)OC(=O)NCCC(N)=[NH2+] 42463278 166371123 /nfs/dbraw/zinc/37/11/23/166371123.db2.gz MICJHJDLTXMUOE-UHFFFAOYSA-N 1 0 187.243 0.837 50 0 in-vitro ACAARO CC(C)(C)OC(=O)[C@](C)(O)C[NH3+] 85231751 166371161 /nfs/dbraw/zinc/37/11/61/166371161.db2.gz SDTIYVJWKYSYDC-MRVPVSSYSA-N 1 0 175.228 0.038 50 0 in-vitro ACAARO CC(C)(C)OC(=O)[C@@](C)(N)C[NH3+] 71186618 166371367 /nfs/dbraw/zinc/37/13/67/166371367.db2.gz BHPYSCPIJNKEPC-QMMMGPOBSA-N 1 0 174.244 0.004 50 0 ACAARO CC(C)(C)OC(=O)[C@H]1CC[NH2+]C1 2541478 166371379 /nfs/dbraw/zinc/37/13/79/166371379.db2.gz XWAHLXHVEMYNMY-ZETCQYMHSA-N 1 0 171.240 0.938 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 100044550 166371445 /nfs/dbraw/zinc/37/14/45/166371445.db2.gz QIYOMZXJQAKHEK-RNLVFQAGSA-N 1 0 198.266 0.729 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NCC(N)=[NH2+] 36379809 166371450 /nfs/dbraw/zinc/37/14/50/166371450.db2.gz SWBZVFFQFKRUQQ-UHFFFAOYSA-N 1 0 173.216 0.447 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C1 3880881 166371463 /nfs/dbraw/zinc/37/14/63/166371463.db2.gz DQQJBEAXSOOCPG-SSDOTTSWSA-N 1 0 186.255 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NCC[NH3+] 2556977 166371504 /nfs/dbraw/zinc/37/15/04/166371504.db2.gz AOCSUUGBCMTKJH-UHFFFAOYSA-N 1 0 160.217 0.470 50 0 in-vitro ACAARO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]1 34264462 166371549 /nfs/dbraw/zinc/37/15/49/166371549.db2.gz QMZBFSZZEGSSPH-ZETCQYMHSA-N 1 0 186.255 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C1 3880882 166371586 /nfs/dbraw/zinc/37/15/86/166371586.db2.gz DQQJBEAXSOOCPG-ZETCQYMHSA-N 1 0 186.255 0.873 50 0 in-vitro ACAARO CC(C)(C)OC(=O)[C@@H]1CC[NH2+]C1 44143614 166371599 /nfs/dbraw/zinc/37/15/99/166371599.db2.gz XWAHLXHVEMYNMY-SSDOTTSWSA-N 1 0 171.240 0.938 50 0 in-vitro ACAARO CC(C)(C)OC(=O)[C@@](C)(O)C[NH3+] 85231752 166371668 /nfs/dbraw/zinc/37/16/68/166371668.db2.gz SDTIYVJWKYSYDC-QMMMGPOBSA-N 1 0 175.228 0.038 50 0 in-vitro ACAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]1[NH3+] 26475283 166371693 /nfs/dbraw/zinc/37/16/93/166371693.db2.gz XDHLWTHTPXBYLH-PHDIDXHHSA-N 1 0 172.228 0.611 50 0 ACAARO CC(C)(C)OC(=O)[C@H](N)CCC[NH3+] 64219633 166371762 /nfs/dbraw/zinc/37/17/62/166371762.db2.gz KZDKDSWGCFVJCE-SSDOTTSWSA-N 1 0 188.271 0.394 50 0 ACAARO CC(C)(C)OCC(N)=[NH2+] 20516728 166372723 /nfs/dbraw/zinc/37/27/23/166372723.db2.gz JOYDCDBZLFXIEK-UHFFFAOYSA-N 1 0 130.191 0.737 50 0 in-vitro ACAARO CC(C)(C)OCC[NH3+] 2507600 166373503 /nfs/dbraw/zinc/37/35/03/166373503.db2.gz BLMLZYILSIZQTL-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 ACAARO CC(C)(C)S(=O)(=O)CC[NH3+] 35319995 166374829 /nfs/dbraw/zinc/37/48/29/166374829.db2.gz SGVFERHFXXLUCB-UHFFFAOYSA-N 1 0 165.258 0.158 50 0 in-vitro ACAARO CC(C)(C)S(=O)(=O)C1C[NH2+]C1 147928879 166374962 /nfs/dbraw/zinc/37/49/62/166374962.db2.gz GZAMRSKAEHMFHG-UHFFFAOYSA-N 1 0 177.269 0.172 50 0 ACAARO CC(C)(C)S(=O)(=O)CCC[NH3+] 35319994 166375073 /nfs/dbraw/zinc/37/50/73/166375073.db2.gz DZWNLAUNILSEHN-UHFFFAOYSA-N 1 0 179.285 0.549 50 0 ACAARO CC(C)(C)[C@@H](O)C[C@H]([NH3+])CO 238147739 166375495 /nfs/dbraw/zinc/37/54/95/166375495.db2.gz GRCRCCUSCPIVLC-BQBZGAKWSA-N 1 0 161.245 0.103 50 0 ACAARO CC(C)(C)[C@@H](O)C[C@@H]([NH3+])CO 238147528 166376229 /nfs/dbraw/zinc/37/62/29/166376229.db2.gz GRCRCCUSCPIVLC-RQJHMYQMSA-N 1 0 161.245 0.103 50 0 ACAARO CC(C)(C)[C@@H]1CNCC[NH2+]1 21983634 166376303 /nfs/dbraw/zinc/37/63/03/166376303.db2.gz ZXJUSCSGOOZJMN-ZETCQYMHSA-N 1 0 142.246 0.594 50 0 ACAARO CC(C)(C)[C@@H](O)CC[NH3+] 40537851 166376960 /nfs/dbraw/zinc/37/69/60/166376960.db2.gz IUKICUAZNUHIDR-LURJTMIESA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)[C@@H](O)CN1CC[NH2+]CC1 22043787 166377249 /nfs/dbraw/zinc/37/72/49/166377249.db2.gz YYZISBUWORXDCV-VIFPVBQESA-N 1 0 186.299 0.299 50 0 in-vitro ACAARO CC(C)(C)[C@@H](O)C[NH3+] 26895461 166377374 /nfs/dbraw/zinc/37/73/74/166377374.db2.gz PROOIQLVYNCTIE-YFKPBYRVSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCCC1 35931795 166378468 /nfs/dbraw/zinc/37/84/68/166378468.db2.gz QYYWFIOBVXLDLZ-MRVPVSSYSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)(C)[C@H]([NH3+])CN1CCOCC1 23069336 166378596 /nfs/dbraw/zinc/37/85/96/166378596.db2.gz DKPDLTGDTFHZCE-SECBINFHSA-N 1 0 186.299 0.692 50 0 ACAARO CC(C)(C)[C@H](O)C[NH3+] 26895464 166378806 /nfs/dbraw/zinc/37/88/06/166378806.db2.gz PROOIQLVYNCTIE-RXMQYKEDSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)(C)[C@@](C)(O)C[NH3+] 5714686 166378814 /nfs/dbraw/zinc/37/88/14/166378814.db2.gz YZEIOPWSQISDKR-ZETCQYMHSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)(C)[C@H](O)C[C@H]([NH3+])CO 238179932 166379179 /nfs/dbraw/zinc/37/91/79/166379179.db2.gz GRCRCCUSCPIVLC-NKWVEPMBSA-N 1 0 161.245 0.103 50 0 ACAARO CC(C)(C)[C@H]([NH3+])CO 391151 166379591 /nfs/dbraw/zinc/37/95/91/166379591.db2.gz JBULSURVMXPBNA-RXMQYKEDSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)(C)[C@H]([NH3+])CS(C)(=O)=O 40543573 166379598 /nfs/dbraw/zinc/37/95/98/166379598.db2.gz RSTNZIZORIJWMF-ZCFIWIBFSA-N 1 0 179.285 0.404 50 0 ACAARO CC(C)(C)[C@H](O)CC[NH3+] 40537850 166379659 /nfs/dbraw/zinc/37/96/59/166379659.db2.gz IUKICUAZNUHIDR-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)(C)[C@H](O)CN1CC[NH2+]CC1 22043784 166379680 /nfs/dbraw/zinc/37/96/80/166379680.db2.gz YYZISBUWORXDCV-SECBINFHSA-N 1 0 186.299 0.299 50 0 in-vitro ACAARO CC(C)(C)[C@H](O)C[C@@H]([NH3+])CO 238179743 166379764 /nfs/dbraw/zinc/37/97/64/166379764.db2.gz GRCRCCUSCPIVLC-RNFRBKRXSA-N 1 0 161.245 0.103 50 0 ACAARO CC(C)(C)[C@H]([NH3+])CCO 44232433 166379978 /nfs/dbraw/zinc/37/99/78/166379978.db2.gz JMAOWDJEWXBRGR-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)(C)c1[nH]oc(=O)c1CC[NH3+] 12404862 166380200 /nfs/dbraw/zinc/38/02/00/166380200.db2.gz WJRYPJXBXGOFPD-UHFFFAOYSA-N 1 0 184.239 0.767 50 0 ACAARO CC(C)(C)[C@](C)(O)C[NH3+] 5064392 166380220 /nfs/dbraw/zinc/38/02/20/166380220.db2.gz YZEIOPWSQISDKR-SSDOTTSWSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)(C)[C@H]1NCCNC1=O 51925332 166380840 /nfs/dbraw/zinc/38/08/40/166380840.db2.gz SPCDFDAQOUYVTP-LURJTMIESA-N 1 0 156.229 0.121 50 0 ACAARO CC(C)(C)[S@](=O)CC[NH3+] 40954817 166380881 /nfs/dbraw/zinc/38/08/81/166380881.db2.gz XQUVDHRTWQXLMK-VIFPVBQESA-N 1 0 149.259 0.492 50 0 ACAARO CC(C)(C)[C@H]1CNCC[NH2+]1 21983636 166380955 /nfs/dbraw/zinc/38/09/55/166380955.db2.gz ZXJUSCSGOOZJMN-SSDOTTSWSA-N 1 0 142.246 0.594 50 0 in-vitro ACAARO CC(C)(C)[S@@](=O)CC[NH3+] 40954815 166381434 /nfs/dbraw/zinc/38/14/34/166381434.db2.gz XQUVDHRTWQXLMK-SECBINFHSA-N 1 0 149.259 0.492 50 0 ACAARO CC(C)(C)c1[nH][nH]c(=O)c1CC[NH3+] 4235064 166381545 /nfs/dbraw/zinc/38/15/45/166381545.db2.gz DBPGMSYKGUQMMM-UHFFFAOYSA-N 1 0 183.255 0.914 50 0 in-vitro ACAARO CC(C)(C)[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1 72233296 166382108 /nfs/dbraw/zinc/38/21/08/166382108.db2.gz FEFJZNJHJVEBIJ-IVZWLZJFSA-N 1 0 198.310 0.440 50 0 ACAARO CC(C)(C)c1nc(CC[NH3+])no1 8729402 166386049 /nfs/dbraw/zinc/38/60/49/166386049.db2.gz KHDOXPYPDQYYMF-UHFFFAOYSA-N 1 0 169.228 0.868 50 0 ACAARO CC(C)(C)c1nnc(C[NH3+])[nH]1 61843827 166387260 /nfs/dbraw/zinc/38/72/60/166387260.db2.gz UNQWFUIMLVPMKY-UHFFFAOYSA-N 1 0 154.217 0.561 50 0 ACAARO CC(C)(C)c1nc2c(c(=O)[nH]1)C[NH2+]C2 42784271 166390914 /nfs/dbraw/zinc/39/09/14/166390914.db2.gz MZICOGMWWUOQKL-UHFFFAOYSA-N 1 0 193.250 0.671 50 0 ACAARO CC(C)(C)n1ncnc1C[NH3+] 229983088 166391372 /nfs/dbraw/zinc/39/13/72/166391372.db2.gz XBDAQUIRZHEBOJ-UHFFFAOYSA-N 1 0 154.217 0.492 50 0 in-vitro ACAARO CC(C)(C[NH3+])CCS(C)(=O)=O 54634521 166393624 /nfs/dbraw/zinc/39/36/24/166393624.db2.gz PVMUYZJMQKURPI-UHFFFAOYSA-N 1 0 179.285 0.406 50 0 in-vitro ACAARO CC(C)(C[NH3+])N1CCOCC1 19702166 166393703 /nfs/dbraw/zinc/39/37/03/166393703.db2.gz GFIBMQGRHYGHAP-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC(C)(C[NH3+])N1CCSCC1 20257102 166393837 /nfs/dbraw/zinc/39/38/37/166393837.db2.gz QAEVJEMDRDZDAY-UHFFFAOYSA-N 1 0 174.313 0.773 50 0 ACAARO CC(C)(C[NH3+])CCCO 62498414 166393846 /nfs/dbraw/zinc/39/38/46/166393846.db2.gz FMBDDEJFIJTHHM-UHFFFAOYSA-N 1 0 131.219 0.744 50 0 in-vitro ACAARO CC(C)(C[NH3+])CCO 62498392 166394749 /nfs/dbraw/zinc/39/47/49/166394749.db2.gz INBMMXYCODJFAA-UHFFFAOYSA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO CC(C)(C[NH3+])CN1CCOCC1 19737035 166394759 /nfs/dbraw/zinc/39/47/59/166394759.db2.gz CQMVORYYVMMMSP-UHFFFAOYSA-N 1 0 172.272 0.304 50 0 in-vitro ACAARO CC(C)(C[NH3+])C1(O)CCOCC1 85901668 166394917 /nfs/dbraw/zinc/39/49/17/166394917.db2.gz MEFRXXONOGQJQI-UHFFFAOYSA-N 1 0 173.256 0.513 50 0 ACAARO CC(C)(C[NH3+])OC(F)F 83400882 166395236 /nfs/dbraw/zinc/39/52/36/166395236.db2.gz QNWFQMHAAZOJNP-UHFFFAOYSA-N 1 0 139.145 0.963 50 0 ACAARO CC(C)(C[NH3+])C(=O)N1CCCC1 44751196 166395472 /nfs/dbraw/zinc/39/54/72/166395472.db2.gz XDKAYYVXGFABMZ-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO CC(C)(CO)C[NH+]1CCOCC1 31623718 166395807 /nfs/dbraw/zinc/39/58/07/166395807.db2.gz UUQOWECHDHGAEH-UHFFFAOYSA-N 1 0 173.256 0.337 50 0 ACAARO CC(C)(CO)[NH2+]C(C)(C)CO 17436050 166396378 /nfs/dbraw/zinc/39/63/78/166396378.db2.gz VJIFGYXJOCIGNH-UHFFFAOYSA-N 1 0 161.245 0.118 50 0 in-vitro ACAARO CC(C)(CO)CC[NH3+] 44399176 166396788 /nfs/dbraw/zinc/39/67/88/166396788.db2.gz LVFSSKLFZHOPFX-UHFFFAOYSA-N 1 0 117.192 0.354 50 0 ACAARO CC(C)(CO)[NH2+]Cc1ccncc1 6858850 166396836 /nfs/dbraw/zinc/39/68/36/166396836.db2.gz TZDUZQUTTIZESH-UHFFFAOYSA-N 1 0 180.251 0.942 50 0 ACAARO CC(C)(C[NH3+])c1c[nH]cn1 2016281 166396949 /nfs/dbraw/zinc/39/69/49/166396949.db2.gz OKJUBHQJVNBSOG-UHFFFAOYSA-N 1 0 139.202 0.646 50 0 ACAARO CC(C)(CO)[NH+]1CCCC1 19092980 166397056 /nfs/dbraw/zinc/39/70/56/166397056.db2.gz NRXIXDFFYWZZNL-UHFFFAOYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CC(C)(CO)[NH2+]C1(CO)CCCC1 61997372 166397198 /nfs/dbraw/zinc/39/71/98/166397198.db2.gz RAPUYDRKXDNNSQ-UHFFFAOYSA-N 1 0 187.283 0.652 50 0 ACAARO CC(C)(CO)[NH+]1CCOCC1 19092394 166397321 /nfs/dbraw/zinc/39/73/21/166397321.db2.gz FCCWRGFCAKZCBF-UHFFFAOYSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO CC(C)(C[NH3+])n1cccn1 82631496 166397331 /nfs/dbraw/zinc/39/73/31/166397331.db2.gz DOVPROBFGXRSPX-UHFFFAOYSA-N 1 0 139.202 0.577 50 0 ACAARO CC(C)(CO)[NH2+]C1CC1 38123994 166397362 /nfs/dbraw/zinc/39/73/62/166397362.db2.gz YVQKFTIAXXAJGE-UHFFFAOYSA-N 1 0 129.203 0.509 50 0 ACAARO CC(C)(CO)[NH2+]Cc1cccnc1 5817219 166397527 /nfs/dbraw/zinc/39/75/27/166397527.db2.gz ZYKZTDZNOFYWTF-UHFFFAOYSA-N 1 0 180.251 0.942 50 0 in-vitro ACAARO CC(C)(CO)CCC[NH3+] 2584495 166397557 /nfs/dbraw/zinc/39/75/57/166397557.db2.gz ZOOPONUAQQEUQX-UHFFFAOYSA-N 1 0 131.219 0.744 50 0 in-vitro ACAARO CC(C)(CO)[NH2+]Cc1ccccn1 6858849 166397672 /nfs/dbraw/zinc/39/76/72/166397672.db2.gz OTDMSDHYROHOSO-UHFFFAOYSA-N 1 0 180.251 0.942 50 0 in-vitro ACAARO CC(C)(C[NH3+])c1cnccn1 33487060 166397681 /nfs/dbraw/zinc/39/76/81/166397681.db2.gz DYLBXGBJQZSXOY-UHFFFAOYSA-N 1 0 151.213 0.713 50 0 ACAARO CC(C)(C[NH3+])n1ccnc1 60312284 166397742 /nfs/dbraw/zinc/39/77/42/166397742.db2.gz CUBGKECWMNJUFQ-UHFFFAOYSA-N 1 0 139.202 0.577 50 0 ACAARO CC(C)([NH3+])C(C)(C)CO 72283254 166398541 /nfs/dbraw/zinc/39/85/41/166398541.db2.gz JHBCLMWESAGLPS-UHFFFAOYSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)([NH3+])CC(=O)N1CCCC1 82249004 166398661 /nfs/dbraw/zinc/39/86/61/166398661.db2.gz AVEALSCKRLLILA-UHFFFAOYSA-N 1 0 170.256 0.736 50 0 ACAARO CC(C)(F)C[NH3+] 88189515 166398714 /nfs/dbraw/zinc/39/87/14/166398714.db2.gz YRCWDUIBSJKELW-UHFFFAOYSA-N 1 0 91.129 0.693 50 0 in-vitro ACAARO CC(C)([NH3+])C(=O)NC[C@@H]1CCCO1 19672351 166398759 /nfs/dbraw/zinc/39/87/59/166398759.db2.gz OCEKQQPTHJYYGJ-ZETCQYMHSA-N 1 0 186.255 0.019 50 0 ACAARO CC(C)([NH3+])C(=O)NC1CCCC1 19672335 166398775 /nfs/dbraw/zinc/39/87/75/166398775.db2.gz ASQWXQJNRCATFK-UHFFFAOYSA-N 1 0 170.256 0.783 50 0 in-vitro ACAARO CC(C)([NH3+])C(=O)NCc1cccnc1 19672400 166399004 /nfs/dbraw/zinc/39/90/04/166399004.db2.gz WRKGAQSVEKPBHK-UHFFFAOYSA-N 1 0 193.250 0.435 50 0 ACAARO CC(C)([NH3+])C(F)F 87688187 166399148 /nfs/dbraw/zinc/39/91/48/166399148.db2.gz SYTBFGGNMOJFEU-UHFFFAOYSA-N 1 0 109.119 0.989 50 0 in-vitro ACAARO CC(C)([NH3+])C(=O)Nc1cccnc1 40912436 166399154 /nfs/dbraw/zinc/39/91/54/166399154.db2.gz XCHBGFLSBDGOOY-UHFFFAOYSA-N 1 0 179.223 0.757 50 0 ACAARO CC(C)([NH3+])C(=O)NCc1ccco1 19672368 166399168 /nfs/dbraw/zinc/39/91/68/166399168.db2.gz LQKIWELFXJQMIK-UHFFFAOYSA-N 1 0 182.223 0.633 50 0 ACAARO CC(C)([NH3+])C(=O)NCc1ccncc1 19672402 166399174 /nfs/dbraw/zinc/39/91/74/166399174.db2.gz WYTJITQGXYQPNE-UHFFFAOYSA-N 1 0 193.250 0.435 50 0 ACAARO CC(C)(C[C@H]1CCC[NH2+]C1)C(N)=O 238851104 166399213 /nfs/dbraw/zinc/39/92/13/166399213.db2.gz FBUQVCCRZBSYAJ-MRVPVSSYSA-N 1 0 184.283 0.888 50 0 ACAARO CC(C)(CO)[C@@H]([NH3+])C1CC1 225514063 166399317 /nfs/dbraw/zinc/39/93/17/166399317.db2.gz CGQRUWFPBGQBIV-ZETCQYMHSA-N 1 0 143.230 0.742 50 0 in-vitro ACAARO CC(C)(C[C@@H]1CCC[NH2+]C1)C(N)=O 238851105 166399466 /nfs/dbraw/zinc/39/94/66/166399466.db2.gz FBUQVCCRZBSYAJ-QMMMGPOBSA-N 1 0 184.283 0.888 50 0 ACAARO CC(C)([NH3+])C(C)(C)O 34723173 166399696 /nfs/dbraw/zinc/39/96/96/166399696.db2.gz OZSQDNCDEHVGBC-UHFFFAOYSA-N 1 0 117.192 0.495 50 0 in-vitro ACAARO CC(C)(CO)[C@H]([NH3+])C1CC1 225514028 166399828 /nfs/dbraw/zinc/39/98/28/166399828.db2.gz CGQRUWFPBGQBIV-SSDOTTSWSA-N 1 0 143.230 0.742 50 0 in-vitro ACAARO CC(C)(O)C(C)(C)C[NH3+] 84327351 166408065 /nfs/dbraw/zinc/40/80/65/166408065.db2.gz MEZQIRJSYAXKAY-UHFFFAOYSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)(O)C[NH2+][C@H]1CCSC1 83461186 166408922 /nfs/dbraw/zinc/40/89/22/166408922.db2.gz BYZDKNSLOMPPSW-ZETCQYMHSA-N 1 0 175.297 0.852 50 0 ACAARO CC(C)(O)C[NH2+]C1CC1 32005364 166409742 /nfs/dbraw/zinc/40/97/42/166409742.db2.gz CDVGJQFSRQDLPI-UHFFFAOYSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO CC(C)(O)[C@H]1CCCC[NH2+]1 5962407 166411322 /nfs/dbraw/zinc/41/13/22/166411322.db2.gz LWQKTFFRBALRAP-SSDOTTSWSA-N 1 0 143.230 0.899 50 0 ACAARO CC(C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 74942763 166423933 /nfs/dbraw/zinc/42/39/33/166423933.db2.gz MZAAZXXQYZXWGG-DTWKUNHWSA-N 1 0 184.283 0.838 50 0 in-vitro ACAARO CC(C)C(=O)N1CC[C@H]([NH3+])C1 50228612 166424425 /nfs/dbraw/zinc/42/44/25/166424425.db2.gz JZFPVNLLUFKXKC-ZETCQYMHSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(C)C(=O)N1CCC[C@H]([NH3+])C1 19093071 166424576 /nfs/dbraw/zinc/42/45/76/166424576.db2.gz TVKJZIJEHHMBTL-QMMMGPOBSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC(C)C(=O)N[C@H]1CCC[NH2+]C1 19384804 166426141 /nfs/dbraw/zinc/42/61/41/166426141.db2.gz LUQMAIJPUJURSU-QMMMGPOBSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO CC(C)C(=O)[C@H]1CCC[NH2+]1 41166952 166428055 /nfs/dbraw/zinc/42/80/55/166428055.db2.gz PBQZSVNJVABPPR-SSDOTTSWSA-N 1 0 141.214 0.964 50 0 ACAARO CC(C)C(=O)O[C@@H]1CCC[NH2+]C1 42769000 166428435 /nfs/dbraw/zinc/42/84/35/166428435.db2.gz MCXULDOFPGGIDU-MRVPVSSYSA-N 1 0 171.240 0.938 50 0 ACAARO CC(C)C(=O)O[C@H]1CC[NH2+]C1 42769076 166428979 /nfs/dbraw/zinc/42/89/79/166428979.db2.gz NLDCZXUPRQKTNO-ZETCQYMHSA-N 1 0 157.213 0.548 50 0 ACAARO CC(C)CC(=O)N[C@@H]1CCC[NH2+]C1 19404959 166433601 /nfs/dbraw/zinc/43/36/01/166433601.db2.gz YWIVFIVWFMBSQW-SECBINFHSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)CC[C@H]([NH3+])CO 44463874 166452864 /nfs/dbraw/zinc/45/28/64/166452864.db2.gz JTQATQDZVQUMNK-ZETCQYMHSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)CN(C)C(N)=[NH2+] 37108700 166454832 /nfs/dbraw/zinc/45/48/32/166454832.db2.gz XOTGBMZBAJLJTR-UHFFFAOYSA-N 1 0 129.207 0.468 50 0 ACAARO CC(C)CNC(=O)CC[NH3+] 11755113 166465885 /nfs/dbraw/zinc/46/58/85/166465885.db2.gz VLGWASXIZDWMOY-UHFFFAOYSA-N 1 0 144.218 0.107 50 0 ACAARO CC(C)C[C@@H](C[NH3+])CO 51690047 166482941 /nfs/dbraw/zinc/48/29/41/166482941.db2.gz JMGASEAIRBNJHL-ZETCQYMHSA-N 1 0 131.219 0.600 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])C(=O)Nc1cn[nH]c1 35764248 166486442 /nfs/dbraw/zinc/48/64/42/166486442.db2.gz ALGKOHNGIBYOCC-MRVPVSSYSA-N 1 0 196.254 0.722 50 0 ACAARO CC(C)C[C@H](C[NH3+])CCO 71790861 166493560 /nfs/dbraw/zinc/49/35/60/166493560.db2.gz KOHNSJBPXZDCHN-MRVPVSSYSA-N 1 0 145.246 0.990 50 0 in-vitro ACAARO CC(C)C[C@H](C[NH3+])CO 51690048 166494373 /nfs/dbraw/zinc/49/43/73/166494373.db2.gz JMGASEAIRBNJHL-SSDOTTSWSA-N 1 0 131.219 0.600 50 0 in-vitro ACAARO CC(C)[NH3+] 8220693 166506202 /nfs/dbraw/zinc/50/62/02/166506202.db2.gz JJWLVOIRVHMVIS-UHFFFAOYSA-N 1 0 59.112 0.354 50 0 in-man ACAARO CC(C)N(CCC[NH3+])S(C)(=O)=O 32628040 166514479 /nfs/dbraw/zinc/51/44/79/166514479.db2.gz NSJBOBJZLOSRJS-UHFFFAOYSA-N 1 0 194.300 0.005 50 0 in-vitro ACAARO CC(C)[NH+]1CCC(C(N)=O)CC1 32751295 166520249 /nfs/dbraw/zinc/52/02/49/166520249.db2.gz HHDOKHDZYBOLAM-UHFFFAOYSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)NC(=O)C[C@@H](C)[NH3+] 37475630 166529413 /nfs/dbraw/zinc/52/94/13/166529413.db2.gz UNSMDIXGGXNUNN-ZCFIWIBFSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO CC(C)NC(=O)C1CC[NH2+]CC1 4615208 166530376 /nfs/dbraw/zinc/53/03/76/166530376.db2.gz GNIDIQDKQBYDMZ-UHFFFAOYSA-N 1 0 170.256 0.511 50 0 ACAARO CC(C)NC(=O)NCC1([NH3+])CCC1 232657010 166531929 /nfs/dbraw/zinc/53/19/29/166531929.db2.gz LLBWXUSFXPOQSW-UHFFFAOYSA-N 1 0 185.271 0.575 50 0 ACAARO CC(C)NC(=O)N[C@@H]1CC[NH2+]C1 36288004 166532575 /nfs/dbraw/zinc/53/25/75/166532575.db2.gz UBASIRUCHLTMBN-SSDOTTSWSA-N 1 0 171.244 0.056 50 0 in-vitro ACAARO CC(C)NC(=O)N[C@@H]1CCC[NH2+]C1 20209421 166532675 /nfs/dbraw/zinc/53/26/75/166532675.db2.gz MTBPWAKLDMVDLC-MRVPVSSYSA-N 1 0 185.271 0.446 50 0 ACAARO CC(C)NC(=O)NC1CC[NH2+]CC1 20209399 166532722 /nfs/dbraw/zinc/53/27/22/166532722.db2.gz AXGWFNUZFXGNBJ-UHFFFAOYSA-N 1 0 185.271 0.446 50 0 ACAARO CC(C)NC(=O)NCCC[NH3+] 35287528 166532807 /nfs/dbraw/zinc/53/28/07/166532807.db2.gz OSYAUENHDLDILG-UHFFFAOYSA-N 1 0 159.233 0.043 50 0 in-vitro ACAARO CC(C)[NH2+]CCS(C)(=O)=O 37489347 166541166 /nfs/dbraw/zinc/54/11/66/166541166.db2.gz WIDXEYILRKFVGH-UHFFFAOYSA-N 1 0 165.258 0.029 50 0 in-vitro ACAARO CC(C)OC(=O)[C@@H](C)C[NH3+] 54335293 166555127 /nfs/dbraw/zinc/55/51/27/166555127.db2.gz WMNMBLUPPHBHTD-LURJTMIESA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CC(C)OCCN1CC[NH2+]CC1 23247910 166557318 /nfs/dbraw/zinc/55/73/18/166557318.db2.gz HVZJSUVDFMFZCP-UHFFFAOYSA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO CC(C)S(=O)(=O)C1CC[NH2+]CC1 58256135 166564260 /nfs/dbraw/zinc/56/42/60/166564260.db2.gz DLDLIKJDRQJBEB-UHFFFAOYSA-N 1 0 191.296 0.562 50 0 in-vitro ACAARO CC(C)S(=O)(=O)[C@H]1CC[NH2+]C1 95908517 166564901 /nfs/dbraw/zinc/56/49/01/166564901.db2.gz NPQVPIJXGICUEI-ZETCQYMHSA-N 1 0 177.269 0.172 50 0 ACAARO CC(C)[C@@H](C)[NH3+] 2034504 166568675 /nfs/dbraw/zinc/56/86/75/166568675.db2.gz JOZZAIIGWFLONA-RXMQYKEDSA-N 1 0 87.166 0.990 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])[C@H](O)C(F)(F)F 20285507 166576824 /nfs/dbraw/zinc/57/68/24/166576824.db2.gz CXXBVHOIDJALEU-UHNVWZDZSA-N 1 0 171.162 0.893 50 0 ACAARO CC(C)[C@@H]([NH3+])CCO 32099003 166578257 /nfs/dbraw/zinc/57/82/57/166578257.db2.gz ZAQOIAYHBXCGIO-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])[C@@H](O)C(F)(F)F 20285500 166578537 /nfs/dbraw/zinc/57/85/37/166578537.db2.gz CXXBVHOIDJALEU-RFZPGFLSSA-N 1 0 171.162 0.893 50 0 ACAARO CC(C)[C@@H](O)C1(C[NH3+])CC1 90225800 166579866 /nfs/dbraw/zinc/57/98/66/166579866.db2.gz IUNFLTXQCGMMKR-SSDOTTSWSA-N 1 0 143.230 0.742 50 0 in-vitro ACAARO CC(C)[C@@H](O)[C@H](C)[NH3+] 1759073 166580918 /nfs/dbraw/zinc/58/09/18/166580918.db2.gz QLKNFSOWJQLKLV-NTSWFWBYSA-N 1 0 117.192 0.351 50 0 ACAARO CC(C)[C@@H](O)C[NH+](C)C 39077910 166581275 /nfs/dbraw/zinc/58/12/75/166581275.db2.gz CGVDIJPAUMTOMB-ZETCQYMHSA-N 1 0 131.219 0.565 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])[C@@H](N)C(F)(F)F 47845199 166608043 /nfs/dbraw/zinc/60/80/43/166608043.db2.gz MLZFTSAIBWLDIQ-CRCLSJGQSA-N 1 0 170.178 0.859 50 0 ACAARO CC(C)[C@H]([NH3+])CCO 32099004 166608251 /nfs/dbraw/zinc/60/82/51/166608251.db2.gz ZAQOIAYHBXCGIO-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)[C@H](O)[C@H](C)[NH3+] 1759072 166611684 /nfs/dbraw/zinc/61/16/84/166611684.db2.gz QLKNFSOWJQLKLV-WDSKDSINSA-N 1 0 117.192 0.351 50 0 ACAARO CC(C)[C@H](O)[C@@H](C)[NH3+] 1759070 166612616 /nfs/dbraw/zinc/61/26/16/166612616.db2.gz QLKNFSOWJQLKLV-RITPCOANSA-N 1 0 117.192 0.351 50 0 ACAARO CC(C)[C@H]1[NH2+]CC[C@H]1O 98095728 166619806 /nfs/dbraw/zinc/61/98/06/166619806.db2.gz WNZTWIKITBBRJT-RNFRBKRXSA-N 1 0 129.203 0.365 50 0 ACAARO CC(C)c1nncn1CC[NH3+] 68576230 166647734 /nfs/dbraw/zinc/64/77/34/166647734.db2.gz SMCDRBIJYGYMAX-UHFFFAOYSA-N 1 0 154.217 0.360 50 0 in-vitro ACAARO CC(C)c1noc([C@@]2(O)CC[NH2+]C2)n1 98095752 166647814 /nfs/dbraw/zinc/64/78/14/166647814.db2.gz UVFFEVXYPCMTRZ-SECBINFHSA-N 1 0 197.238 0.374 50 0 ACAARO CC(C)n1ccc(CC[NH3+])n1 68589976 166650931 /nfs/dbraw/zinc/65/09/31/166650931.db2.gz TYBUHAZYOVLWBU-UHFFFAOYSA-N 1 0 153.229 0.965 50 0 in-vitro ACAARO CC(C)N1C(=S)N=NC1C[NH3+] 57218709 166651398 /nfs/dbraw/zinc/65/13/98/166651398.db2.gz WZNOVCVYJCSQKE-UHFFFAOYSA-N 1 0 172.257 0.606 50 0 in-vitro ACAARO CC(C)n1cnnc1[C@@H]1CC[NH2+]C1 62132789 166652283 /nfs/dbraw/zinc/65/22/83/166652283.db2.gz MADRRSCUQPBLJK-MRVPVSSYSA-N 1 0 180.255 0.936 50 0 ACAARO CC(C)n1cnnc1CC[NH3+] 19090532 166652831 /nfs/dbraw/zinc/65/28/31/166652831.db2.gz GQKWVZQMZJGFRX-UHFFFAOYSA-N 1 0 154.217 0.360 50 0 in-vitro ACAARO CC(F)(F)C[NH3+] 2559572 166654845 /nfs/dbraw/zinc/65/48/45/166654845.db2.gz JOYPNXSNFIDVPN-UHFFFAOYSA-N 1 0 95.092 0.600 50 0 in-vitro ACAARO CC1(C(=O)N2CCC[C@H]([NH3+])C2)CC1 306173245 166663169 /nfs/dbraw/zinc/66/31/69/166663169.db2.gz FLFZQYVCDSQYOU-QMMMGPOBSA-N 1 0 182.267 0.736 50 0 ACAARO CC1(C)C(=O)NCC12CC[NH2+]CC2 91365929 166665853 /nfs/dbraw/zinc/66/58/53/166665853.db2.gz DFUTZOIHRTZNHS-UHFFFAOYSA-N 1 0 182.267 0.512 50 0 in-vitro ACAARO CC1(C)C=C(C(N)=O)C(C)(C)[NH2+]1 19690796 166668181 /nfs/dbraw/zinc/66/81/81/166668181.db2.gz ACFYUJLIWIDSFM-UHFFFAOYSA-N 1 0 168.240 0.559 50 0 in-vitro ACAARO CC1(C)CC[NH2+]1 68577199 166676114 /nfs/dbraw/zinc/67/61/14/166676114.db2.gz KTHMOBNDGBTCLB-UHFFFAOYSA-N 1 0 85.150 0.758 50 0 ACAARO CC1(C)CC[C@@H](CO)[NH2+]1 57348581 166678081 /nfs/dbraw/zinc/67/80/81/166678081.db2.gz VOQKLHVOCZHBOV-LURJTMIESA-N 1 0 129.203 0.509 50 0 ACAARO CC1(C)C[NH2+]CC[C@@H]1O 40448342 166681770 /nfs/dbraw/zinc/68/17/70/166681770.db2.gz ZCCBPOMEIUZJMR-LURJTMIESA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO CC1(C)C[NH2+][C@@](C)(CO)C1 225796169 166682738 /nfs/dbraw/zinc/68/27/38/166682738.db2.gz HNNCKAKREMQYGD-MRVPVSSYSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)C[NH2+][C@](C)(CO)C1 225796188 166683111 /nfs/dbraw/zinc/68/31/11/166683111.db2.gz HNNCKAKREMQYGD-QMMMGPOBSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)C[NH+]=CN1 5762378 166683336 /nfs/dbraw/zinc/68/33/36/166683336.db2.gz OVABIFHEPZPSCK-UHFFFAOYSA-N 1 0 98.149 0.397 50 0 ACAARO CC1(C)C[C@@H](CO)[NH2+]1 238238053 166685281 /nfs/dbraw/zinc/68/52/81/166685281.db2.gz WVVQMHVJPKHXKT-YFKPBYRVSA-N 1 0 115.176 0.119 50 0 ACAARO CC1(C)C[C@H](CO)[NH2+]1 238247863 166689183 /nfs/dbraw/zinc/68/91/83/166689183.db2.gz WVVQMHVJPKHXKT-RXMQYKEDSA-N 1 0 115.176 0.119 50 0 ACAARO CC1(C)C[C@H]([NH3+])CO1 96032219 166689450 /nfs/dbraw/zinc/68/94/50/166689450.db2.gz KBEFRPWLPUMNCO-YFKPBYRVSA-N 1 0 115.176 0.513 50 0 ACAARO CC1(C)C[S@@](=O)CC[NH2+]1 82110573 166691554 /nfs/dbraw/zinc/69/15/54/166691554.db2.gz LADLQUDXGGSLKJ-SECBINFHSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO CC1(C)C[C@]1(C[NH3+])CO 70500766 166691971 /nfs/dbraw/zinc/69/19/71/166691971.db2.gz BDPVGSNZNXLOHZ-ZETCQYMHSA-N 1 0 129.203 0.354 50 0 ACAARO CC1(C)[NH2+]CC[C@H]1N1CCC(O)CC1 205361250 166694930 /nfs/dbraw/zinc/69/49/30/166694930.db2.gz YLLOCDJMWLKIBA-SNVBAGLBSA-N 1 0 198.310 0.584 50 0 ACAARO CC1(C)[C@@H]([NH3+])C[C@@H]1O 95883965 166697524 /nfs/dbraw/zinc/69/75/24/166697524.db2.gz MLXIQOVWRZVXSV-WHFBIAKZSA-N 1 0 115.176 0.105 50 0 in-vitro ACAARO CC1(C)SC[C@H]1[NH3+] 96034577 166697799 /nfs/dbraw/zinc/69/77/99/166697799.db2.gz BHIGXGGBHPDRAL-SCSAIBSYSA-N 1 0 117.217 0.839 50 0 in-vitro ACAARO CC1(C)[C@@H]([NH3+])C[C@H]1O 95883967 166698113 /nfs/dbraw/zinc/69/81/13/166698113.db2.gz MLXIQOVWRZVXSV-CRCLSJGQSA-N 1 0 115.176 0.105 50 0 in-vitro ACAARO CC1(C)SC[C@@H]1[NH3+] 96034578 166698691 /nfs/dbraw/zinc/69/86/91/166698691.db2.gz BHIGXGGBHPDRAL-BYPYZUCNSA-N 1 0 117.217 0.839 50 0 in-vitro ACAARO CC1(C)[C@H]2C[NH2+]C[C@H]21 68577535 166702442 /nfs/dbraw/zinc/70/24/42/166702442.db2.gz BGOMFPZIMJCRDV-OLQVQODUSA-N 1 0 111.188 0.862 50 0 in-vitro ACAARO CC1(CC[NH3+])N=N1 104562877 166703710 /nfs/dbraw/zinc/70/37/10/166703710.db2.gz WXVCSPSTLPNOAA-UHFFFAOYSA-N 1 0 99.137 0.517 50 0 ACAARO CC1(CCCC[NH3+])OCCO1 98095531 166704458 /nfs/dbraw/zinc/70/44/58/166704458.db2.gz ZCUJMFCFOODBGV-UHFFFAOYSA-N 1 0 159.229 0.878 50 0 in-vitro ACAARO CC1(C)[C@H]2OCC[C@@H]2[C@H]1[NH3+] 71372316 166704586 /nfs/dbraw/zinc/70/45/86/166704586.db2.gz WVSGHWGXPGVBQE-QYNIQEEDSA-N 1 0 141.214 0.759 50 0 in-vitro ACAARO CC1(CO)CC[NH2+]CC1 26896456 166706604 /nfs/dbraw/zinc/70/66/04/166706604.db2.gz XZYORTYWJFJBDE-UHFFFAOYSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO CC1([NH3+])CC1 39348465 166707206 /nfs/dbraw/zinc/70/72/06/166707206.db2.gz VSRXAWSAKJABKW-UHFFFAOYSA-N 1 0 71.123 0.498 50 0 in-vitro ACAARO CC1([C@@H]2CCC[NH2+]C2)OCCO1 82855541 166708034 /nfs/dbraw/zinc/70/80/34/166708034.db2.gz FKIVTIRRGATDKG-MRVPVSSYSA-N 1 0 171.240 0.749 50 0 in-vitro ACAARO CC1([NH3+])CN(C(=O)OC(C)(C)C)C1 44682103 166708782 /nfs/dbraw/zinc/70/87/82/166708782.db2.gz LDWZHGRHSCFIJE-UHFFFAOYSA-N 1 0 186.255 0.955 50 0 in-vitro ACAARO CC1([NH3+])CCOCC1 62820453 166709085 /nfs/dbraw/zinc/70/90/85/166709085.db2.gz HECZPOCJWCHBHK-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO CC1([C@H]2CCC[NH2+]C2)OCCO1 82855542 166710306 /nfs/dbraw/zinc/71/03/06/166710306.db2.gz FKIVTIRRGATDKG-QMMMGPOBSA-N 1 0 171.240 0.749 50 0 in-vitro ACAARO CC1(c2cc[nH+]c(NN)c2)OCCO1 39407671 166710526 /nfs/dbraw/zinc/71/05/26/166710526.db2.gz QQIABWWKVFGZQN-UHFFFAOYSA-N 1 0 195.222 0.587 50 0 ACAARO CC1CCC([NH3+])(CO)CC1 38124521 166746271 /nfs/dbraw/zinc/74/62/71/166746271.db2.gz FKVIDVNRVFJTOC-UHFFFAOYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 4298632 166748064 /nfs/dbraw/zinc/74/80/64/166748064.db2.gz MTKRMEXWJWUDTB-JTQLQIEISA-N 1 0 196.294 0.997 50 0 in-vitro ACAARO CC1CC[NH+](CCC(N)=O)CC1 2633257 166748739 /nfs/dbraw/zinc/74/87/39/166748739.db2.gz LUFVSSFWTHHDAJ-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO CC1CC[NH+](CCO)CC1 10152100 166749593 /nfs/dbraw/zinc/74/95/93/166749593.db2.gz DZWJRQPMTHONRZ-UHFFFAOYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC1CCN(C2C[NH2+]C2)CC1 54931376 166749644 /nfs/dbraw/zinc/74/96/44/166749644.db2.gz LSIKSBOLKDWDFG-UHFFFAOYSA-N 1 0 154.257 0.690 50 0 ACAARO CCC(=O)N1CCC[C@@H]([NH3+])C1 41028458 166761976 /nfs/dbraw/zinc/76/19/76/166761976.db2.gz KEGNZWDFAVMDJK-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO CCC(=O)N(CC)C1CC[NH2+]CC1 37469405 166762242 /nfs/dbraw/zinc/76/22/42/166762242.db2.gz OLFQCYCFOVKCTH-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO CCC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 82164739 166764209 /nfs/dbraw/zinc/76/42/09/166764209.db2.gz HYMWTTBEDLJRDM-RKDXNWHRSA-N 1 0 184.283 0.982 50 0 ACAARO CCC(=O)NC1CC[NH2+]CC1 4575155 166765131 /nfs/dbraw/zinc/76/51/31/166765131.db2.gz RWIXVBSTSIXRQL-UHFFFAOYSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCC(=O)NCCC[NH+](C)C 5768201 166766609 /nfs/dbraw/zinc/76/66/09/166766609.db2.gz LPRTUAMEQDRMAZ-UHFFFAOYSA-N 1 0 158.245 0.464 50 0 ACAARO CCC(=O)NC[C@H]1CCC[NH2+]C1 4312804 166766963 /nfs/dbraw/zinc/76/69/63/166766963.db2.gz ABUOKCYGDYMIBL-QMMMGPOBSA-N 1 0 170.256 0.512 50 0 ACAARO CCC(CC)[NH2+]C(CO)CO 83692979 166796061 /nfs/dbraw/zinc/79/60/61/166796061.db2.gz NCWHPHDWANWCGA-UHFFFAOYSA-N 1 0 161.245 0.118 50 0 ACAARO CCC(CC)[C@@H]([NH3+])C(=O)OC 96100772 166797981 /nfs/dbraw/zinc/79/79/81/166797981.db2.gz FIIIVUQDQKWIKT-SSDOTTSWSA-N 1 0 159.229 0.923 50 0 biogenic ACAARO CCC(CC)[C@@H](O)C[NH3+] 28221738 166798162 /nfs/dbraw/zinc/79/81/62/166798162.db2.gz NGNXQZFLANJCHW-ZETCQYMHSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CCC(CC)[C@H]([NH3+])C(=O)OC 95532773 166800294 /nfs/dbraw/zinc/80/02/94/166800294.db2.gz FIIIVUQDQKWIKT-ZETCQYMHSA-N 1 0 159.229 0.923 50 0 biogenic ACAARO CCC(O)(CC)CC[NH3+] 82411023 166803405 /nfs/dbraw/zinc/80/34/05/166803405.db2.gz PKKWLMYBLBBXLB-UHFFFAOYSA-N 1 0 131.219 0.886 50 0 in-vitro ACAARO CCC1(CO)CC[NH2+]CC1 54956877 166808740 /nfs/dbraw/zinc/80/87/40/166808740.db2.gz GDDYZIOQRPFFAR-UHFFFAOYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CCC1([NH3+])COC1 82828796 166808758 /nfs/dbraw/zinc/80/87/58/166808758.db2.gz DFNDHTNAOKAPGX-UHFFFAOYSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO CCCC(=O)N1CC[C@@H]([NH3+])C1 50228719 166819876 /nfs/dbraw/zinc/81/98/76/166819876.db2.gz LMHKSTWNVUBTEQ-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO CCCC(=O)N1CCC[C@@H]([NH3+])C1 41665745 166819999 /nfs/dbraw/zinc/81/99/99/166819999.db2.gz VNQURLBIUSRNIW-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO CCCCN(C)C(=O)[C@@H]1CCC[NH2+]1 11754502 166877314 /nfs/dbraw/zinc/87/73/14/166877314.db2.gz APCTZHMAWOWWSQ-VIFPVBQESA-N 1 0 184.283 0.997 50 0 ACAARO CCCCN(C)C(=O)[C@@H](C)[NH3+] 19432450 166877615 /nfs/dbraw/zinc/87/76/15/166877615.db2.gz IKLFKVPBJUMSHQ-SSDOTTSWSA-N 1 0 158.245 0.592 50 0 ACAARO CCCCN(C)C(=O)CC[NH3+] 11755237 166877667 /nfs/dbraw/zinc/87/76/67/166877667.db2.gz ZERVSKAMXGUWTO-UHFFFAOYSA-N 1 0 158.245 0.594 50 0 ACAARO CCCCNC(=O)[C@H]1CCC[NH2+]1 19410613 166895120 /nfs/dbraw/zinc/89/51/20/166895120.db2.gz RLBYLDGJTSPAEL-MRVPVSSYSA-N 1 0 170.256 0.655 50 0 ACAARO CCCCNC(=O)[C@H]1CCC[NH2+]C1 19412928 166896153 /nfs/dbraw/zinc/89/61/53/166896153.db2.gz YXJXOPXCTGLNEU-VIFPVBQESA-N 1 0 184.283 0.902 50 0 in-vitro ACAARO CCCC[NH2+]CCN 19370463 166897527 /nfs/dbraw/zinc/89/75/27/166897527.db2.gz DFPGBRPWDZFIPP-UHFFFAOYSA-N 1 0 116.208 0.335 50 0 in-vitro ACAARO CCCC[NH2+][C@@H](C)CO 2160298 166899812 /nfs/dbraw/zinc/89/98/12/166899812.db2.gz PGUQLWBFYNLYAB-ZETCQYMHSA-N 1 0 131.219 0.757 50 0 ACAARO CCCCS(=O)(=O)CCCC[NH3+] 58251592 166910093 /nfs/dbraw/zinc/91/00/93/166910093.db2.gz SXAXVIVDXUMGGU-UHFFFAOYSA-N 1 0 193.312 0.940 50 0 ACAARO CCCC[C@](C)([NH3+])CO 95921860 166930071 /nfs/dbraw/zinc/93/00/71/166930071.db2.gz KIOCABJEBRVQNM-ZETCQYMHSA-N 1 0 131.219 0.886 50 0 ACAARO CCCN(CCC[NH3+])N(O)N=O 4262467 166953697 /nfs/dbraw/zinc/95/36/97/166953697.db2.gz CXQCOPWRDNFJDZ-UHFFFAOYSA-N 1 0 176.220 0.335 50 0 in-vitro ACAARO CCC[NH+](CCC)C[C@@H](O)CO 2166949 166953840 /nfs/dbraw/zinc/95/38/40/166953840.db2.gz CTSOJEIWXYRSEM-SECBINFHSA-N 1 0 175.272 0.462 50 0 ACAARO CCC[NH+]1CCC(NC(C)=O)CC1 16603689 166961212 /nfs/dbraw/zinc/96/12/12/166961212.db2.gz GKBSSMILZQGJPT-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO CCCN1CC[NH2+]CCC1=O 42784329 166967260 /nfs/dbraw/zinc/96/72/60/166967260.db2.gz ZMFGEZSSULOPIW-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 ACAARO CCCN1C[C@@H](C[NH3+])CC1=O 19669248 166972591 /nfs/dbraw/zinc/97/25/91/166972591.db2.gz TZAXYKXNUJBENC-SSDOTTSWSA-N 1 0 156.229 0.204 50 0 ACAARO CCC[NH2+]C 1648987 166974909 /nfs/dbraw/zinc/97/49/09/166974909.db2.gz GVWISOJSERXQBM-UHFFFAOYSA-N 1 0 73.139 0.616 50 0 in-vitro ACAARO CCCNC(=O)[C@@H]1CCCC[NH2+]1 19412814 166981078 /nfs/dbraw/zinc/98/10/78/166981078.db2.gz CUDKXVVKOCEJEY-QMMMGPOBSA-N 1 0 170.256 0.655 50 0 ACAARO CCCNC(=O)[C@@H]1CCC[NH2+]1 2643987 166981259 /nfs/dbraw/zinc/98/12/59/166981259.db2.gz ITPBGPDKSKEXEA-ZETCQYMHSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCC[NH2+]C1CCN(C(C)=O)CC1 12359878 166985590 /nfs/dbraw/zinc/98/55/90/166985590.db2.gz APDNHNPNHUQQSZ-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 in-vitro ACAARO CCCNC(=O)C[NH2+]CCC 20056555 166986166 /nfs/dbraw/zinc/98/61/66/166986166.db2.gz QSARLKFZRYMYSR-UHFFFAOYSA-N 1 0 158.245 0.512 50 0 in-vitro ACAARO CCC[NH2+]C[C@@H](C)O 2572898 166987897 /nfs/dbraw/zinc/98/78/97/166987897.db2.gz JGILRTUNWCFJOU-ZCFIWIBFSA-N 1 0 117.192 0.367 50 0 ACAARO CCC[NH2+]C[C@H](C)O 5431020 166990329 /nfs/dbraw/zinc/99/03/29/166990329.db2.gz JGILRTUNWCFJOU-LURJTMIESA-N 1 0 117.192 0.367 50 0 ACAARO CCC[NH2+][C@H](C)CO 19092661 167000890 /nfs/dbraw/zinc/00/08/90/167000890.db2.gz RBDMEECWQBIBGN-ZCFIWIBFSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CCC[NH2+][C@H]1CCS(=O)(=O)C1 3866511 167003687 /nfs/dbraw/zinc/00/36/87/167003687.db2.gz POJSXHDVRJSEOP-ZETCQYMHSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CCC[NH2+][C@H]1CC(=O)N(C(C)C)C1=O 36850843 167003771 /nfs/dbraw/zinc/00/37/71/167003771.db2.gz GFKQJIZVNYZKGS-QMMMGPOBSA-N 1 0 198.266 0.522 50 0 in-vitro ACAARO CCCOC1C[NH2+]C1 44137170 167010804 /nfs/dbraw/zinc/01/08/04/167010804.db2.gz QTINDJCUYRJBAY-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CCCOC(=O)N1CC[NH2+]CC1 39113838 167011048 /nfs/dbraw/zinc/01/10/48/167011048.db2.gz IGXBNWXKQPCCCJ-UHFFFAOYSA-N 1 0 172.228 0.438 50 0 ACAARO CCCOCCO[C@@H]1CC[NH2+]C1 42776108 167013353 /nfs/dbraw/zinc/01/33/53/167013353.db2.gz RZCDRMBJMUZIIP-SECBINFHSA-N 1 0 173.256 0.792 50 0 ACAARO CCCO[C@@H](C)C[NH3+] 29865965 167013752 /nfs/dbraw/zinc/01/37/52/167013752.db2.gz ZYSOCEMLXONWAC-LURJTMIESA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCCOCCO[C@H]1CC[NH2+]C1 42776112 167013876 /nfs/dbraw/zinc/01/38/76/167013876.db2.gz RZCDRMBJMUZIIP-VIFPVBQESA-N 1 0 173.256 0.792 50 0 ACAARO CCCOCCOC1C[NH2+]C1 42769837 167014199 /nfs/dbraw/zinc/01/41/99/167014199.db2.gz IMVZGRGQSYMGGB-UHFFFAOYSA-N 1 0 159.229 0.401 50 0 ACAARO CCCOCC[NH3+] 2563311 167014430 /nfs/dbraw/zinc/01/44/30/167014430.db2.gz HMWXCSCBUXKXSA-UHFFFAOYSA-N 1 0 103.165 0.372 50 0 in-vitro ACAARO CCCOCCC[NH3+] 2582056 167014518 /nfs/dbraw/zinc/01/45/18/167014518.db2.gz UTOXFQVLOTVLSD-UHFFFAOYSA-N 1 0 117.192 0.762 50 0 in-vitro ACAARO CCCOCCN1CC[NH2+]CC1 19850317 167014899 /nfs/dbraw/zinc/01/48/99/167014899.db2.gz APOQIEHTCZYMIW-UHFFFAOYSA-N 1 0 172.272 0.318 50 0 in-vitro ACAARO CCCOCC1C[NH2+]C1 42784293 167014913 /nfs/dbraw/zinc/01/49/13/167014913.db2.gz RNCYANINLVXQRU-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 ACAARO CCCOCCOCC[NH3+] 74495433 167015352 /nfs/dbraw/zinc/01/53/52/167015352.db2.gz UPYSGFWVMLQLGJ-UHFFFAOYSA-N 1 0 147.218 0.388 50 0 ACAARO CCCO[C@H]1CC[NH2+]C1 14632014 167017655 /nfs/dbraw/zinc/01/76/55/167017655.db2.gz JWNBCQQQLMTPLP-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCCO[C@H](C)C[NH3+] 29865966 167017664 /nfs/dbraw/zinc/01/76/64/167017664.db2.gz ZYSOCEMLXONWAC-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCCO[C@@H]1CC[NH2+]C1 14632012 167017691 /nfs/dbraw/zinc/01/76/91/167017691.db2.gz JWNBCQQQLMTPLP-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCCS(=O)(=O)CCCC[NH3+] 32007374 167022794 /nfs/dbraw/zinc/02/27/94/167022794.db2.gz YPDDDLQWHKKYAJ-UHFFFAOYSA-N 1 0 179.285 0.550 50 0 ACAARO CCC[C@@H](C)C(=O)NCC[NH3+] 20251695 167029101 /nfs/dbraw/zinc/02/91/01/167029101.db2.gz ZRLJSEFCLATEBN-SSDOTTSWSA-N 1 0 158.245 0.498 50 0 in-vitro ACAARO CCC[C@@H](C)[NH2+]CC(=O)N(C)C 20040517 167036835 /nfs/dbraw/zinc/03/68/35/167036835.db2.gz TXVCGKSRLNLBLN-MRVPVSSYSA-N 1 0 172.272 0.853 50 0 ACAARO CCC[C@@H](C)[C@@H]([NH3+])CO 49954477 167038734 /nfs/dbraw/zinc/03/87/34/167038734.db2.gz DNJLOOKMUZMYJY-RQJHMYQMSA-N 1 0 131.219 0.742 50 0 ACAARO CCC[C@@H](C)[C@H]([NH3+])CO 49954475 167040096 /nfs/dbraw/zinc/04/00/96/167040096.db2.gz DNJLOOKMUZMYJY-RNFRBKRXSA-N 1 0 131.219 0.742 50 0 ACAARO CCC[C@@H](C[NH3+])N(C)C 23067948 167040528 /nfs/dbraw/zinc/04/05/28/167040528.db2.gz PLHKKHOLOZDWIB-ZETCQYMHSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CCC[C@@H](C[NH3+])CCO 71790749 167040688 /nfs/dbraw/zinc/04/06/88/167040688.db2.gz XIVNJRJCLPXNQF-SSDOTTSWSA-N 1 0 131.219 0.744 50 0 in-vitro ACAARO CCC[C@@H](C[NH3+])C(=O)OCC 66348358 167041490 /nfs/dbraw/zinc/04/14/90/167041490.db2.gz QOIXAMBISULXTR-ZETCQYMHSA-N 1 0 159.229 0.925 50 0 in-vitro ACAARO CCC[C@@H](CO)N1CC[NH2+]CC1 38120865 167042040 /nfs/dbraw/zinc/04/20/40/167042040.db2.gz CYPYMTUXBWPDSO-VIFPVBQESA-N 1 0 172.272 0.053 50 0 in-vitro ACAARO CCC[C@@H]([NH3+])CN 34332852 167043350 /nfs/dbraw/zinc/04/33/50/167043350.db2.gz LPGZAWSMGCIBOF-RXMQYKEDSA-N 1 0 102.181 0.073 50 0 in-vitro ACAARO CCC[C@@H]([NH3+])C(=O)NC(C)C 36872577 167043488 /nfs/dbraw/zinc/04/34/88/167043488.db2.gz YEENMLDVUCFXMT-SSDOTTSWSA-N 1 0 158.245 0.638 50 0 ACAARO CCC[C@@H]([NH3+])C(=O)N1CCCC1 36872555 167044345 /nfs/dbraw/zinc/04/43/45/167044345.db2.gz ROUVLYJZTLNDBR-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO CCC[C@@H]([NH3+])CC(=O)OC 38324797 167044917 /nfs/dbraw/zinc/04/49/17/167044917.db2.gz UEOPHSISSQTFHC-ZCFIWIBFSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCC[C@@H]([NH3+])CO 403945 167045592 /nfs/dbraw/zinc/04/55/92/167045592.db2.gz ULAXUFGARZZKTK-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 ACAARO CCC[C@@H]([NH3+])CCO 44198106 167045648 /nfs/dbraw/zinc/04/56/48/167045648.db2.gz YZOKDOZIDBMHOK-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 ACAARO CCC[C@@H]([NH3+])C(=O)N(C)C 36872969 167045824 /nfs/dbraw/zinc/04/58/24/167045824.db2.gz VIOINTFUWBVKND-ZCFIWIBFSA-N 1 0 144.218 0.202 50 0 ACAARO CCC[C@@H](O)C[NH3+] 5842254 167050547 /nfs/dbraw/zinc/05/05/47/167050547.db2.gz ZRUPXAZUXDFLTG-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CCC[C@@H]1C[NH2+]CCO1 59369614 167053569 /nfs/dbraw/zinc/05/35/69/167053569.db2.gz QGJFIIKVYPIQAZ-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCC[C@@H]1COCC[NH2+]1 19091139 167053631 /nfs/dbraw/zinc/05/36/31/167053631.db2.gz ACDQSRFDVDVZRK-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCC[C@@H]1CNCC[NH2+]1 34454789 167053635 /nfs/dbraw/zinc/05/36/35/167053635.db2.gz FNJWLOHHZVGUIX-SSDOTTSWSA-N 1 0 128.219 0.348 50 0 in-vitro ACAARO CCC[C@@H]1C[NH2+]CCN1CCOC 82926754 167054274 /nfs/dbraw/zinc/05/42/74/167054274.db2.gz HCXZOCPNDAEQDW-SNVBAGLBSA-N 1 0 186.299 0.707 50 0 in-vitro ACAARO CCC[C@@](C)([NH3+])C(=O)OC 12896000 167058130 /nfs/dbraw/zinc/05/81/30/167058130.db2.gz UCEMIMRGLBPPLW-SSDOTTSWSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCC[C@@](C)([NH3+])C(=O)Nc1cn[nH]c1 37481448 167058631 /nfs/dbraw/zinc/05/86/31/167058631.db2.gz VADAXZXLUPMGLX-SECBINFHSA-N 1 0 196.254 0.866 50 0 ACAARO CCC[C@@](C)([NH3+])CO 34426988 167060201 /nfs/dbraw/zinc/06/02/01/167060201.db2.gz ATRNFARHWKXXLH-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CCC[C@@](C)(O)C[NH3+] 1695062 167060271 /nfs/dbraw/zinc/06/02/71/167060271.db2.gz JSELUEZGSGRXKT-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CCC[C@@]1(C)[NH2+]CCNC1=O 45951744 167061187 /nfs/dbraw/zinc/06/11/87/167061187.db2.gz CAKPCPMHYREPAY-MRVPVSSYSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCC[C@@]1(CO)CC[NH2+]C1 85042406 167061224 /nfs/dbraw/zinc/06/12/24/167061224.db2.gz HGIYSSSZWBJWOV-MRVPVSSYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CCC[C@@]1(CO)CCC[NH2+]1 98095424 167061464 /nfs/dbraw/zinc/06/14/64/167061464.db2.gz NLFIJUIPLVTYCL-QMMMGPOBSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO CCC[C@@]1([NH3+])CCOC1 83186770 167062269 /nfs/dbraw/zinc/06/22/69/167062269.db2.gz LDRYAYIINGGLPP-SSDOTTSWSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO CCC[C@H](C)C(=O)NCC[NH3+] 20251697 167063266 /nfs/dbraw/zinc/06/32/66/167063266.db2.gz ZRLJSEFCLATEBN-ZETCQYMHSA-N 1 0 158.245 0.498 50 0 in-vitro ACAARO CCC[C@H](C)[NH2+]CC(=O)N(C)C 20040520 167070835 /nfs/dbraw/zinc/07/08/35/167070835.db2.gz TXVCGKSRLNLBLN-QMMMGPOBSA-N 1 0 172.272 0.853 50 0 ACAARO CCC[C@H](C)[C@H]([NH3+])CO 49954476 167074013 /nfs/dbraw/zinc/07/40/13/167074013.db2.gz DNJLOOKMUZMYJY-NKWVEPMBSA-N 1 0 131.219 0.742 50 0 ACAARO CCC[C@H](C)[C@@H]([NH3+])CO 49954478 167074609 /nfs/dbraw/zinc/07/46/09/167074609.db2.gz DNJLOOKMUZMYJY-BQBZGAKWSA-N 1 0 131.219 0.742 50 0 ACAARO CCC[C@H](C[NH3+])N(C)C 23067950 167075221 /nfs/dbraw/zinc/07/52/21/167075221.db2.gz PLHKKHOLOZDWIB-SSDOTTSWSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CCC[C@H](C[NH3+])CCO 71790748 167075985 /nfs/dbraw/zinc/07/59/85/167075985.db2.gz XIVNJRJCLPXNQF-ZETCQYMHSA-N 1 0 131.219 0.744 50 0 in-vitro ACAARO CCC[C@H](C[NH3+])C(=O)OCC 66348361 167076268 /nfs/dbraw/zinc/07/62/68/167076268.db2.gz QOIXAMBISULXTR-SSDOTTSWSA-N 1 0 159.229 0.925 50 0 in-vitro ACAARO CCC[C@H](CO)N1CC[NH2+]CC1 38120866 167077589 /nfs/dbraw/zinc/07/75/89/167077589.db2.gz CYPYMTUXBWPDSO-SECBINFHSA-N 1 0 172.272 0.053 50 0 in-vitro ACAARO CCC[C@H]([NH3+])CCO 2530280 167078041 /nfs/dbraw/zinc/07/80/41/167078041.db2.gz YZOKDOZIDBMHOK-LURJTMIESA-N 1 0 117.192 0.496 50 0 ACAARO CCC[C@H]([NH3+])CC(=O)OC 38233953 167078122 /nfs/dbraw/zinc/07/81/22/167078122.db2.gz UEOPHSISSQTFHC-LURJTMIESA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCC[C@H]([NH3+])C(=O)NC(C)C 36872576 167078230 /nfs/dbraw/zinc/07/82/30/167078230.db2.gz YEENMLDVUCFXMT-ZETCQYMHSA-N 1 0 158.245 0.638 50 0 ACAARO CCC[C@H]([NH3+])C(=O)N1CCCC1 36872554 167078446 /nfs/dbraw/zinc/07/84/46/167078446.db2.gz ROUVLYJZTLNDBR-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO CCC[C@H]([NH3+])C(=O)N(C)C 36872968 167079320 /nfs/dbraw/zinc/07/93/20/167079320.db2.gz VIOINTFUWBVKND-LURJTMIESA-N 1 0 144.218 0.202 50 0 ACAARO CCC[C@H]([NH3+])CN 34332851 167079866 /nfs/dbraw/zinc/07/98/66/167079866.db2.gz LPGZAWSMGCIBOF-YFKPBYRVSA-N 1 0 102.181 0.073 50 0 in-vitro ACAARO CCC[C@H]([NH3+])CO 403944 167082024 /nfs/dbraw/zinc/08/20/24/167082024.db2.gz ULAXUFGARZZKTK-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CCC[C@H](O)C[NH3+] 1555529 167085481 /nfs/dbraw/zinc/08/54/81/167085481.db2.gz ZRUPXAZUXDFLTG-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CCC[C@H]1COCC[NH2+]1 19091142 167089794 /nfs/dbraw/zinc/08/97/94/167089794.db2.gz ACDQSRFDVDVZRK-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCC[C@H]1CNCC[NH2+]1 39095696 167089958 /nfs/dbraw/zinc/08/99/58/167089958.db2.gz FNJWLOHHZVGUIX-ZETCQYMHSA-N 1 0 128.219 0.348 50 0 in-vitro ACAARO CCC[C@H]1C[NH2+]CCO1 59369615 167090652 /nfs/dbraw/zinc/09/06/52/167090652.db2.gz QGJFIIKVYPIQAZ-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCC[C@H]1C[NH2+]CCN1CCOC 82926757 167091051 /nfs/dbraw/zinc/09/10/51/167091051.db2.gz HCXZOCPNDAEQDW-JTQLQIEISA-N 1 0 186.299 0.707 50 0 in-vitro ACAARO CCC[C@](C)([NH3+])CO 34426987 167093302 /nfs/dbraw/zinc/09/33/02/167093302.db2.gz ATRNFARHWKXXLH-LURJTMIESA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CCC[C@](C)([NH3+])C(=O)OC 12896005 167094181 /nfs/dbraw/zinc/09/41/81/167094181.db2.gz UCEMIMRGLBPPLW-ZETCQYMHSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCC[C@](C)([NH3+])C(=O)Nc1cn[nH]c1 37481447 167094316 /nfs/dbraw/zinc/09/43/16/167094316.db2.gz VADAXZXLUPMGLX-VIFPVBQESA-N 1 0 196.254 0.866 50 0 ACAARO CCC[C@](C)(O)C[NH3+] 2042083 167094968 /nfs/dbraw/zinc/09/49/68/167094968.db2.gz JSELUEZGSGRXKT-LURJTMIESA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CCC[C@]1(CO)CCC[NH2+]1 98095423 167096411 /nfs/dbraw/zinc/09/64/11/167096411.db2.gz NLFIJUIPLVTYCL-MRVPVSSYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO CCC[n+]1cccc(C(N)=O)c1 401818 167096567 /nfs/dbraw/zinc/09/65/67/167096567.db2.gz XCNUBVXQXQAXSZ-UHFFFAOYSA-O 1 0 165.216 0.483 50 0 ACAARO CCC[C@]1([NH3+])CCOC1 83186766 167096859 /nfs/dbraw/zinc/09/68/59/167096859.db2.gz LDRYAYIINGGLPP-ZETCQYMHSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO CCC[C@]1(C)[NH2+]CCNC1=O 45951747 167096871 /nfs/dbraw/zinc/09/68/71/167096871.db2.gz CAKPCPMHYREPAY-QMMMGPOBSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCC[n+]1ccn(C)c1 2510894 167097517 /nfs/dbraw/zinc/09/75/17/167097517.db2.gz WVDDUSFOSWWJJH-UHFFFAOYSA-N 1 0 125.195 0.723 50 0 in-vitro ACAARO CCC[C@]1(CO)CC[NH2+]C1 85042404 167097731 /nfs/dbraw/zinc/09/77/31/167097731.db2.gz HGIYSSSZWBJWOV-QMMMGPOBSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CCCc1cc(C[NH3+])[nH]n1 26545480 167098611 /nfs/dbraw/zinc/09/86/11/167098611.db2.gz NKVMEFCQFIHAEO-UHFFFAOYSA-N 1 0 139.202 0.821 50 0 in-vitro ACAARO CCCc1cc(=O)[nH]c(C(C)(C)[NH3+])n1 71803650 167100016 /nfs/dbraw/zinc/10/00/16/167100016.db2.gz PLIAHDKKSGLJLX-UHFFFAOYSA-N 1 0 195.266 0.916 50 0 ACAARO CCCc1nnc([C@@H]2C[NH2+]CCO2)[nH]1 43705456 167112195 /nfs/dbraw/zinc/11/21/95/167112195.db2.gz DXQSILJDFCMEOL-ZETCQYMHSA-N 1 0 196.254 0.418 50 0 in-vitro ACAARO CCCc1nnc([C@H]2C[NH2+]CCO2)[nH]1 43705457 167113233 /nfs/dbraw/zinc/11/32/33/167113233.db2.gz DXQSILJDFCMEOL-SSDOTTSWSA-N 1 0 196.254 0.418 50 0 in-vitro ACAARO CCCc1nc2c(c(=O)[nH]1)C[NH2+]C2 42784274 167113387 /nfs/dbraw/zinc/11/33/87/167113387.db2.gz GPSWNCGXYWKUTD-UHFFFAOYSA-N 1 0 179.223 0.326 50 0 ACAARO CCCc1nnsc1C[NH3+] 83339666 167116518 /nfs/dbraw/zinc/11/65/18/167116518.db2.gz SZLGVYWPUBHYKW-UHFFFAOYSA-N 1 0 157.242 0.949 50 0 ACAARO CCCn1cc(C[NH3+])cn1 2538034 167118918 /nfs/dbraw/zinc/11/89/18/167118918.db2.gz VEDJQINYVJOHTP-UHFFFAOYSA-N 1 0 139.202 0.752 50 0 in-vitro ACAARO CCCn1cc(C[NH3+])nn1 50224555 167119469 /nfs/dbraw/zinc/11/94/69/167119469.db2.gz LUXLFSWSHAECCA-UHFFFAOYSA-N 1 0 140.190 0.147 50 0 ACAARO CCCn1cnnc1[C@@H](C)[NH3+] 15080795 167120096 /nfs/dbraw/zinc/12/00/96/167120096.db2.gz RULVBFSANFIEMN-ZCFIWIBFSA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO CCCn1ccc(C[NH3+])n1 2538047 167120245 /nfs/dbraw/zinc/12/02/45/167120245.db2.gz AXPZHWVYVNNIRF-UHFFFAOYSA-N 1 0 139.202 0.752 50 0 ACAARO CCCn1cnnc1C[NH2+]C 19090529 167120942 /nfs/dbraw/zinc/12/09/42/167120942.db2.gz UFQHINLXKSGFEH-UHFFFAOYSA-N 1 0 154.217 0.408 50 0 in-vitro ACAARO CCCn1cnnc1[C@H](C)[NH3+] 15080797 167121354 /nfs/dbraw/zinc/12/13/54/167121354.db2.gz RULVBFSANFIEMN-LURJTMIESA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO CCCn1cnnc1C[NH3+] 19090036 167121668 /nfs/dbraw/zinc/12/16/68/167121668.db2.gz ATLOZABIEKOERI-UHFFFAOYSA-N 1 0 140.190 0.147 50 0 ACAARO CCCn1ccnc1C[NH3+] 4244051 167122903 /nfs/dbraw/zinc/12/29/03/167122903.db2.gz OMHPFEWBBUELID-UHFFFAOYSA-N 1 0 139.202 0.752 50 0 in-vitro ACAARO CCN(C#N)CCC[NH+](C)C 31879336 167123463 /nfs/dbraw/zinc/12/34/63/167123463.db2.gz JUFPVNPONCWXBC-UHFFFAOYSA-N 1 0 155.245 0.741 50 0 ACAARO CCCn1nccc1C[NH3+] 2538046 167123772 /nfs/dbraw/zinc/12/37/72/167123772.db2.gz BZOLWCPFLURXIV-UHFFFAOYSA-N 1 0 139.202 0.752 50 0 ACAARO CCCn1ncnc1[C@@H](C)[NH3+] 19091990 167124287 /nfs/dbraw/zinc/12/42/87/167124287.db2.gz LRGLFDPIPHFWRJ-ZCFIWIBFSA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO CCCn1ncnc1[C@H](C)[NH3+] 19091993 167125546 /nfs/dbraw/zinc/12/55/46/167125546.db2.gz LRGLFDPIPHFWRJ-LURJTMIESA-N 1 0 154.217 0.708 50 0 in-vitro ACAARO CCN(C(=O)C[NH3+])c1ccccc1 11956838 167125616 /nfs/dbraw/zinc/12/56/16/167125616.db2.gz HCPRSLRMSXZZEM-UHFFFAOYSA-N 1 0 178.235 0.998 50 0 ACAARO CCN(C(C)=O)[C@@H]1CC[NH2+]C1 2522722 167129480 /nfs/dbraw/zinc/12/94/80/167129480.db2.gz NHMWGGURJSUYGU-MRVPVSSYSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO CCN(C(C)=O)C1CC[NH2+]CC1 37653818 167129991 /nfs/dbraw/zinc/12/99/91/167129991.db2.gz OCERHFVIXWVCFP-UHFFFAOYSA-N 1 0 170.256 0.607 50 0 ACAARO CC[NH+](C)C 2034511 167130938 /nfs/dbraw/zinc/13/09/38/167130938.db2.gz DAZXVJBJRMWXJP-UHFFFAOYSA-N 1 0 73.139 0.568 50 0 in-vitro ACAARO CCN(C)C(=O)C1CC[NH2+]CC1 37078936 167131317 /nfs/dbraw/zinc/13/13/17/167131317.db2.gz DFSNQAGPMJFAHX-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 ACAARO CCN(C(C)=O)[C@H]1CC[NH2+]C1 4239984 167132303 /nfs/dbraw/zinc/13/23/03/167132303.db2.gz NHMWGGURJSUYGU-QMMMGPOBSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO CCN(C)C(=O)[C@@H]1CCC[NH2+]1 37023363 167136084 /nfs/dbraw/zinc/13/60/84/167136084.db2.gz YZVUUIYIBPCBSR-ZETCQYMHSA-N 1 0 156.229 0.217 50 0 ACAARO CCN(C)C(=O)[C@H]1CCC[NH2+]1 37023365 167137138 /nfs/dbraw/zinc/13/71/38/167137138.db2.gz YZVUUIYIBPCBSR-SSDOTTSWSA-N 1 0 156.229 0.217 50 0 ACAARO CCN(C)C(=O)[C@H]1CSCN1 37078927 167137335 /nfs/dbraw/zinc/13/73/35/167137335.db2.gz NYTWLGQVUGEBIU-ZCFIWIBFSA-N 1 0 174.269 0.127 50 0 in-vitro ACAARO CCN(C)C(=O)[C@@H]([NH3+])C(C)C 37078912 167138179 /nfs/dbraw/zinc/13/81/79/167138179.db2.gz DQGKQYWOIRKPGK-ZETCQYMHSA-N 1 0 158.245 0.448 50 0 ACAARO CCN(C)CC[N@H+](C)CC 19365684 167138742 /nfs/dbraw/zinc/13/87/42/167138742.db2.gz BWTBHGDNJBIYAQ-UHFFFAOYSA-N 1 0 144.262 0.890 50 0 ACAARO CC[N@H+](C)CC(C)=O 19092858 167140018 /nfs/dbraw/zinc/14/00/18/167140018.db2.gz QLOQKEJUTSHYQM-UHFFFAOYSA-N 1 0 115.176 0.527 50 0 in-vitro ACAARO CC[NH+](C)CC 2034401 167140116 /nfs/dbraw/zinc/14/01/16/167140116.db2.gz GNVRJGIVDSQCOP-UHFFFAOYSA-N 1 0 87.166 0.958 50 0 in-vitro ACAARO CC[N@H+](C)CCNC(=O)c1ccn[nH]1 65403845 167140479 /nfs/dbraw/zinc/14/04/79/167140479.db2.gz UPTBBICBYGGLBE-UHFFFAOYSA-N 1 0 196.254 0.091 50 0 ACAARO CC[N@H+](C)CCCO 19092039 167142000 /nfs/dbraw/zinc/14/20/00/167142000.db2.gz TZVYDYIDLQCRHV-UHFFFAOYSA-N 1 0 117.192 0.321 50 0 in-vitro ACAARO CCN(C)CC[NH2+]C 21953164 167142173 /nfs/dbraw/zinc/14/21/73/167142173.db2.gz KQNNOGJHLWDFHO-UHFFFAOYSA-N 1 0 116.208 0.158 50 0 in-vitro ACAARO CC[N@H+](C)C(C)(C)CN 23094233 167142679 /nfs/dbraw/zinc/14/26/79/167142679.db2.gz CSGYGWFTUJILNJ-UHFFFAOYSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CC[N@H+](C)[C@@H](C)CO 19092671 167143744 /nfs/dbraw/zinc/14/37/44/167143744.db2.gz VDKVVJABFRJUOS-LURJTMIESA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CCN(C)[C@@H]1CC[NH2+]C1 51782996 167146247 /nfs/dbraw/zinc/14/62/47/167146247.db2.gz YVPGYPWDDYIQJP-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC[N@H+](C)[C@H](C)CO 19092673 167149922 /nfs/dbraw/zinc/14/99/22/167149922.db2.gz VDKVVJABFRJUOS-ZCFIWIBFSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CCN(C)[C@H]1CC[NH2+]C1 39077680 167150010 /nfs/dbraw/zinc/15/00/10/167150010.db2.gz YVPGYPWDDYIQJP-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN(C)c1cc(C[NH3+])ccn1 37078074 167150219 /nfs/dbraw/zinc/15/02/19/167150219.db2.gz ZZFHGDQHJYINFK-UHFFFAOYSA-N 1 0 165.240 0.996 50 0 in-vitro ACAARO CCN(CC(F)F)[C@@H](C)C[NH3+] 98095720 167158853 /nfs/dbraw/zinc/15/88/53/167158853.db2.gz GQYQDDQXOWLOOF-LURJTMIESA-N 1 0 166.215 0.921 50 0 ACAARO CCN(CC)C(=O)N1CCC([NH3+])CC1 67801094 167160389 /nfs/dbraw/zinc/16/03/89/167160389.db2.gz YHFBMFTWJNZSQJ-UHFFFAOYSA-N 1 0 199.298 0.871 50 0 ACAARO CCN(CC)C(=O)CCC[NH3+] 11755437 167160424 /nfs/dbraw/zinc/16/04/24/167160424.db2.gz UUTNMBJRQVMERG-UHFFFAOYSA-N 1 0 158.245 0.594 50 0 in-vitro ACAARO CCN(CC)C(=O)[C@@H]1CCC[NH2+]C1 155113 167160441 /nfs/dbraw/zinc/16/04/41/167160441.db2.gz ZXQKYQVJDRTTLZ-SECBINFHSA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CCN(CC)C(=O)C(C)(C)[NH3+] 19672480 167160452 /nfs/dbraw/zinc/16/04/52/167160452.db2.gz VYDKPCCQVZSPRA-UHFFFAOYSA-N 1 0 158.245 0.592 50 0 in-vitro ACAARO CCN(CC)C(=O)[C@@H]1CCCC[NH2+]1 4777924 167160719 /nfs/dbraw/zinc/16/07/19/167160719.db2.gz BWTDDMYSMJFACO-VIFPVBQESA-N 1 0 184.283 0.997 50 0 ACAARO CCN(CC)C(=O)[C@@H]1CCC[NH2+]1 4698814 167161112 /nfs/dbraw/zinc/16/11/12/167161112.db2.gz LVUPFABYBLEEMH-QMMMGPOBSA-N 1 0 170.256 0.607 50 0 in-vitro ACAARO CCN(CC)C(=O)N1CC[NH2+]CC1 1847836 167161116 /nfs/dbraw/zinc/16/11/16/167161116.db2.gz IWJSZNIFIDAYDY-UHFFFAOYSA-N 1 0 185.271 0.353 50 0 in-vitro ACAARO CCN(CC)C(=O)[C@@H](C)[NH3+] 19509725 167161319 /nfs/dbraw/zinc/16/13/19/167161319.db2.gz NLPULXIOEMWFQS-ZCFIWIBFSA-N 1 0 144.218 0.202 50 0 in-vitro ACAARO CCN(CC)C(=O)[C@@H]([NH3+])C(C)C 11958929 167161421 /nfs/dbraw/zinc/16/14/21/167161421.db2.gz VMRKJJQTRYRJRT-QMMMGPOBSA-N 1 0 172.272 0.838 50 0 ACAARO CCN(CC)C(=O)C1CC[NH2+]CC1 1664921 167161701 /nfs/dbraw/zinc/16/17/01/167161701.db2.gz HLKAXMBNTHBWKS-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CCN(CC)C(N)=[NH2+] 394156 167161706 /nfs/dbraw/zinc/16/17/06/167161706.db2.gz PDDWJLGBNYUCQO-UHFFFAOYSA-N 1 0 115.180 0.222 50 0 in-vitro ACAARO CCN(CC)C(=O)C[NH2+]C 3423890 167161886 /nfs/dbraw/zinc/16/18/86/167161886.db2.gz RHUYLAPWIXLSEF-UHFFFAOYSA-N 1 0 144.218 0.074 50 0 in-vitro ACAARO CCN(CC)C(=O)CC[NH3+] 8700940 167162235 /nfs/dbraw/zinc/16/22/35/167162235.db2.gz PWFPMYPZAVNQQK-UHFFFAOYSA-N 1 0 144.218 0.204 50 0 in-vitro ACAARO CCN(CC)C(=O)NC1CC[NH2+]CC1 67800576 167162361 /nfs/dbraw/zinc/16/23/61/167162361.db2.gz QBKHBVCLYIPQKC-UHFFFAOYSA-N 1 0 199.298 0.790 50 0 ACAARO CC[NH+](CC)C1CC([NH3+])C1 83119944 167163167 /nfs/dbraw/zinc/16/31/67/167163167.db2.gz UYYZCSJVJKRUMC-UHFFFAOYSA-N 1 0 142.246 0.818 50 0 ACAARO CCN(CC)C(=O)n1cc[n+](C)c1 6593998 167163597 /nfs/dbraw/zinc/16/35/97/167163597.db2.gz GLUSMMMUMISYFJ-UHFFFAOYSA-N 1 0 182.247 0.623 50 0 ACAARO CCN(CC)C(=O)[C@H]1CCC[NH2+]C1 155111 167163750 /nfs/dbraw/zinc/16/37/50/167163750.db2.gz ZXQKYQVJDRTTLZ-VIFPVBQESA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CCN(CC)C1C[NH2+]C1 44185106 167163877 /nfs/dbraw/zinc/16/38/77/167163877.db2.gz PVLJDMLMTNKOAG-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN(CC)C(=O)c1ccc[n+](C)c1 1695831 167163958 /nfs/dbraw/zinc/16/39/58/167163958.db2.gz BEPUNMMUQLADTP-UHFFFAOYSA-N 1 0 193.270 0.993 50 0 ACAARO CCN(CC)C(=O)[C@H]1CCC[NH2+]1 4698815 167164112 /nfs/dbraw/zinc/16/41/12/167164112.db2.gz LVUPFABYBLEEMH-MRVPVSSYSA-N 1 0 170.256 0.607 50 0 in-vitro ACAARO CCN(CC)C(=O)[C@H]1CSCN1 19483096 167164547 /nfs/dbraw/zinc/16/45/47/167164547.db2.gz JZKHHIOYTUFMFG-SSDOTTSWSA-N 1 0 188.296 0.517 50 0 in-vitro ACAARO CC[NH+](CC)CCOCCO 1635602 167164979 /nfs/dbraw/zinc/16/49/79/167164979.db2.gz VKBVRNHODPFVHK-UHFFFAOYSA-N 1 0 161.245 0.337 50 0 in-vitro ACAARO CC[NH+](CC)COC 394566 167164998 /nfs/dbraw/zinc/16/49/98/167164998.db2.gz QGRBGPKKFIYPSW-UHFFFAOYSA-N 1 0 117.192 0.932 50 0 in-vitro ACAARO CC[NH+](CC)CCn1cc(N)cn1 11920289 167165073 /nfs/dbraw/zinc/16/50/73/167165073.db2.gz MWQSJRTXOKYCHJ-UHFFFAOYSA-N 1 0 182.271 0.807 50 0 in-vitro ACAARO CCN(CC)CC[NH3+] 19230110 167165200 /nfs/dbraw/zinc/16/52/00/167165200.db2.gz UDGSVBYJWHOHNN-UHFFFAOYSA-N 1 0 116.208 0.287 50 0 in-vitro ACAARO CC[NH+](CC)CCN(C)C 20230549 167165273 /nfs/dbraw/zinc/16/52/73/167165273.db2.gz YUKZJEQIDOFUPV-UHFFFAOYSA-N 1 0 144.262 0.890 50 0 ACAARO CC[NH+](CC)CCO 388479 167165319 /nfs/dbraw/zinc/16/53/19/167165319.db2.gz BFSVOASYOCHEOV-UHFFFAOYSA-N 1 0 117.192 0.321 50 0 endogenous,in-man ACAARO CC[NH+](CC)CCCNC(C)=O 1649044 167165548 /nfs/dbraw/zinc/16/55/48/167165548.db2.gz BTNPACQCCDWODV-UHFFFAOYSA-N 1 0 172.272 0.854 50 0 ACAARO CC[NH+](CC)CCCO 1648184 167166148 /nfs/dbraw/zinc/16/61/48/167166148.db2.gz WKCYFSZDBICRKL-UHFFFAOYSA-N 1 0 131.219 0.711 50 0 in-vitro ACAARO CC[NH+](CC)CCOC(N)=O 6382231 167166340 /nfs/dbraw/zinc/16/63/40/167166340.db2.gz RSUCVCBRBPTWMO-UHFFFAOYSA-N 1 0 160.217 0.424 50 0 ACAARO CC[NH+](CC)C[C@@H](O)COC 2275245 167167064 /nfs/dbraw/zinc/16/70/64/167167064.db2.gz SDQREAYLIQQDLB-MRVPVSSYSA-N 1 0 161.245 0.336 50 0 ACAARO CC[NH+](CC)CCNC(N)=S 3336020 167167085 /nfs/dbraw/zinc/16/70/85/167167085.db2.gz SEBCSPWHMFYMGA-UHFFFAOYSA-N 1 0 175.301 0.161 50 0 in-vitro ACAARO CCN(CC)CC[NH2+]C 19275844 167167247 /nfs/dbraw/zinc/16/72/47/167167247.db2.gz MKDYQLJYEBWUIG-UHFFFAOYSA-N 1 0 130.235 0.548 50 0 ACAARO CCN(CC)CC[NH2+]CCOC 20050511 167167372 /nfs/dbraw/zinc/16/73/72/167167372.db2.gz VHNKYJGEDZBFET-UHFFFAOYSA-N 1 0 174.288 0.564 50 0 in-vitro ACAARO CC[NH+](CC)CCCNC=O 1649001 167167398 /nfs/dbraw/zinc/16/73/98/167167398.db2.gz QBZJVZZUVFYRGB-UHFFFAOYSA-N 1 0 158.245 0.464 50 0 ACAARO CC[NH+](CC)C[C@@H](C)O 404357 167167419 /nfs/dbraw/zinc/16/74/19/167167419.db2.gz BHUXAQIVYLDUQV-SSDOTTSWSA-N 1 0 131.219 0.709 50 0 ACAARO CC[NH+](CC)C[C@H](O)COC 2275244 167168597 /nfs/dbraw/zinc/16/85/97/167168597.db2.gz SDQREAYLIQQDLB-QMMMGPOBSA-N 1 0 161.245 0.336 50 0 ACAARO CC[NH+](CC)C[C@H]1CNCCO1 5643890 167169252 /nfs/dbraw/zinc/16/92/52/167169252.db2.gz UGQKQNGLLJXUJQ-SECBINFHSA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO CC[NH+](CC)C[C@H](C)O 404358 167170779 /nfs/dbraw/zinc/17/07/79/167170779.db2.gz BHUXAQIVYLDUQV-ZETCQYMHSA-N 1 0 131.219 0.709 50 0 ACAARO CC[NH+](CC)C[C@@H]1CNCCO1 6139188 167170997 /nfs/dbraw/zinc/17/09/97/167170997.db2.gz UGQKQNGLLJXUJQ-VIFPVBQESA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO CC[NH+](CC)Cc1cc(=O)[nH]c(C)n1 25629130 167171028 /nfs/dbraw/zinc/17/10/28/167171028.db2.gz ISJJUXPLURIOKP-UHFFFAOYSA-N 1 0 195.266 0.920 50 0 ACAARO CC[NH+](CC)[C@H](C)CN 19735766 167171864 /nfs/dbraw/zinc/17/18/64/167171864.db2.gz JNFLSJUGIONDMJ-SSDOTTSWSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CC[NH+](CC)[C@H]1CCS(=O)(=O)C1 3865820 167173289 /nfs/dbraw/zinc/17/32/89/167173289.db2.gz UWCZTGHNTULPMO-QMMMGPOBSA-N 1 0 191.296 0.515 50 0 ACAARO CC[NH+](CC)[C@H](C)CO 5848801 167173813 /nfs/dbraw/zinc/17/38/13/167173813.db2.gz FBJITINXSJWUMT-SSDOTTSWSA-N 1 0 131.219 0.709 50 0 ACAARO CCN(CC)[C@H]1CC[NH2+]C1 22913485 167173971 /nfs/dbraw/zinc/17/39/71/167173971.db2.gz XHOADYKJSBCVBJ-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[NH+](CC)[C@@H]1CCS(=O)(=O)C1 3865819 167174222 /nfs/dbraw/zinc/17/42/22/167174222.db2.gz UWCZTGHNTULPMO-MRVPVSSYSA-N 1 0 191.296 0.515 50 0 ACAARO CCN(CC)[C@@H]1CC[NH2+]C1 22029073 167174537 /nfs/dbraw/zinc/17/45/37/167174537.db2.gz XHOADYKJSBCVBJ-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CCN(CC)c1cc[nH+]c(NN)n1 58826510 167177218 /nfs/dbraw/zinc/17/72/18/167177218.db2.gz LQLXMGNCQUCFKI-UHFFFAOYSA-N 1 0 181.243 0.608 50 0 in-vitro ACAARO CCN(CCC[NH3+])C(C)=O 36379577 167181688 /nfs/dbraw/zinc/18/16/88/167181688.db2.gz RPLYQULNDJPCKO-UHFFFAOYSA-N 1 0 144.218 0.204 50 0 ACAARO CCN(CCO)C[C@H]1CCC[NH2+]1 42783461 167183280 /nfs/dbraw/zinc/18/32/80/167183280.db2.gz NZKRIVQRCNQKRN-SECBINFHSA-N 1 0 172.272 0.053 50 0 ACAARO CCN(CC[NH3+])CC(F)F 41055859 167183885 /nfs/dbraw/zinc/18/38/85/167183885.db2.gz LUPIOCDXFJXPJA-UHFFFAOYSA-N 1 0 152.188 0.532 50 0 in-vitro ACAARO CCN(CCO)C[C@H]1CCCC[NH2+]1 42783447 167184082 /nfs/dbraw/zinc/18/40/82/167184082.db2.gz KKGBQFHAVFIYRD-SNVBAGLBSA-N 1 0 186.299 0.443 50 0 ACAARO CCN(CCO)C[C@@H]1CCC[NH2+]1 42783460 167184363 /nfs/dbraw/zinc/18/43/63/167184363.db2.gz NZKRIVQRCNQKRN-VIFPVBQESA-N 1 0 172.272 0.053 50 0 ACAARO CC[N@H+](CCN)C(C)C 37081703 167184651 /nfs/dbraw/zinc/18/46/51/167184651.db2.gz QWUJQUJVQRKKNP-UHFFFAOYSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CC[N@H+](CCO)C1CC1 35649855 167184988 /nfs/dbraw/zinc/18/49/88/167184988.db2.gz RHTKKLUKHAEPFD-UHFFFAOYSA-N 1 0 129.203 0.463 50 0 ACAARO CC[N@H+](CCO)C(C)C 35116611 167185260 /nfs/dbraw/zinc/18/52/60/167185260.db2.gz OKRCCMFEBPRZQH-UHFFFAOYSA-N 1 0 131.219 0.709 50 0 ACAARO CCN(CCO)C[C@@H]1CCCC[NH2+]1 42783446 167185548 /nfs/dbraw/zinc/18/55/48/167185548.db2.gz KKGBQFHAVFIYRD-JTQLQIEISA-N 1 0 186.299 0.443 50 0 ACAARO CCN(CC[NH3+])C1CC1 37079477 167185719 /nfs/dbraw/zinc/18/57/19/167185719.db2.gz PCRMAYOLQMQWRH-UHFFFAOYSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[N@H+](CCN)CC(C)C 37111016 167186593 /nfs/dbraw/zinc/18/65/93/167186593.db2.gz WYHZXLQURXOGSM-UHFFFAOYSA-N 1 0 144.262 0.923 50 0 in-vitro ACAARO CCN(CCO)c1ccccc1C[NH3+] 37899886 167187480 /nfs/dbraw/zinc/18/74/80/167187480.db2.gz HZIVJRTWWUSXHN-UHFFFAOYSA-N 1 0 194.278 0.964 50 0 ACAARO CCN(CCO)c1ccc(C[NH3+])cn1 37899881 167187834 /nfs/dbraw/zinc/18/78/34/167187834.db2.gz VEHMHWQVXUJFPQ-UHFFFAOYSA-N 1 0 195.266 0.359 50 0 ACAARO CCN(CCO)[C@H]1CCC[NH2+]C1 42783273 167188170 /nfs/dbraw/zinc/18/81/70/167188170.db2.gz YWXIXWKXEBPODB-VIFPVBQESA-N 1 0 172.272 0.053 50 0 ACAARO CCN(CCO)[C@@H]1CCC[NH2+]C1 42783272 167188616 /nfs/dbraw/zinc/18/86/16/167188616.db2.gz YWXIXWKXEBPODB-SECBINFHSA-N 1 0 172.272 0.053 50 0 ACAARO CCN(CCO)c1ncccc1C[NH3+] 37899883 167188877 /nfs/dbraw/zinc/18/88/77/167188877.db2.gz DXYHMAVBVDAQNV-UHFFFAOYSA-N 1 0 195.266 0.359 50 0 ACAARO CCN(Cc1ccccc1)C(=O)C[NH3+] 11956706 167191058 /nfs/dbraw/zinc/19/10/58/167191058.db2.gz AOHSSDPPKAHGEM-UHFFFAOYSA-N 1 0 192.262 0.994 50 0 in-vitro ACAARO CCN(C[C@H]([NH3+])CO)c1ccccc1 82885137 167192778 /nfs/dbraw/zinc/19/27/78/167192778.db2.gz DZWNRYZUFMYBPI-JTQLQIEISA-N 1 0 194.278 0.833 50 0 in-vitro ACAARO CCN1CC2(CC[NH2+]CC2)OC1=O 49805913 167197188 /nfs/dbraw/zinc/19/71/88/167197188.db2.gz VLXRWKMOLSVSOD-UHFFFAOYSA-N 1 0 184.239 0.581 50 0 ACAARO CC[N@@H+]1CCC(=O)[C@@H](C)C1 1235041 167198073 /nfs/dbraw/zinc/19/80/73/167198073.db2.gz DZPMPRBBBQMILW-ZETCQYMHSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO CC[N@@H+]1CCC(=O)[C@H](C)C1 1235043 167198228 /nfs/dbraw/zinc/19/82/28/167198228.db2.gz DZPMPRBBBQMILW-SSDOTTSWSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO CC[NH+]1CCC(C(N)=O)CC1 4728940 167198557 /nfs/dbraw/zinc/19/85/57/167198557.db2.gz USGHIMJARYRESV-UHFFFAOYSA-N 1 0 156.229 0.204 50 0 ACAARO CCN1CC2(CC[NH2+]CC2)CC1=O 83351127 167199117 /nfs/dbraw/zinc/19/91/17/167199117.db2.gz WYEOILWMDWYNGG-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 ACAARO CCN1C(=O)O[C@]2(CCC[NH2+]C2)C1=O 91301368 167199234 /nfs/dbraw/zinc/19/92/34/167199234.db2.gz VPPXKPIHOXFVBG-VIFPVBQESA-N 1 0 198.222 0.107 50 0 ACAARO CCN1C(=O)O[C@@]2(CCC[NH2+]C2)C1=O 91301370 167199723 /nfs/dbraw/zinc/19/97/23/167199723.db2.gz VPPXKPIHOXFVBG-SECBINFHSA-N 1 0 198.222 0.107 50 0 ACAARO CC[NH+]1CCC(NC(=O)OC)CC1 16580732 167201779 /nfs/dbraw/zinc/20/17/79/167201779.db2.gz RBSMVAVXCLLIME-UHFFFAOYSA-N 1 0 186.255 0.827 50 0 ACAARO CC[N@@H+]1CCCC[C@@H](N)C1 34615865 167202098 /nfs/dbraw/zinc/20/20/98/167202098.db2.gz DODHTIZNAOJSHI-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 ACAARO CC[N@@H+]1CCCC[C@@H]1CO 42383679 167202153 /nfs/dbraw/zinc/20/21/53/167202153.db2.gz QDCVURQLJNIQBY-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CC[NH+]1CCC(CO)CC1 15635501 167202187 /nfs/dbraw/zinc/20/21/87/167202187.db2.gz FLOQYJOORROJQU-UHFFFAOYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC[N@@H+]1CCCC[C@H]1CN 32445514 167202549 /nfs/dbraw/zinc/20/25/49/167202549.db2.gz LEKNBLYGRWKNSE-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CCN1CCCC[C@H]([NH3+])C1=O 4240226 167202760 /nfs/dbraw/zinc/20/27/60/167202760.db2.gz KBJPENFOWBANKE-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO CC[N@@H+]1CCCC[C@H]1CO 42383681 167202824 /nfs/dbraw/zinc/20/28/24/167202824.db2.gz QDCVURQLJNIQBY-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CCN1CCC2(CC[NH2+]CC2)C1=O 23508782 167203114 /nfs/dbraw/zinc/20/31/14/167203114.db2.gz XAZMRCYLTQKBBF-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 ACAARO CC[NH+]1CCC(O)CC1 2567875 167203238 /nfs/dbraw/zinc/20/32/38/167203238.db2.gz AHOJTPZHHMJMCW-UHFFFAOYSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@@H](CO)C1 15635478 167203935 /nfs/dbraw/zinc/20/39/35/167203935.db2.gz UFFXQKBVALLYQW-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC[N@@H+]1CCCC[C@@H]1CN 32445513 167204037 /nfs/dbraw/zinc/20/40/37/167204037.db2.gz LEKNBLYGRWKNSE-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CC[N@@H+]1CCCC[C@H](N)C1 34615866 167204239 /nfs/dbraw/zinc/20/42/39/167204239.db2.gz DODHTIZNAOJSHI-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 ACAARO CCN1CCC[C@@H]([NH3+])C1 32445542 167204270 /nfs/dbraw/zinc/20/42/70/167204270.db2.gz WAKUKXKZEXFXJP-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[NH+]1CCC(N2CCOCC2)CC1 280483 167204794 /nfs/dbraw/zinc/20/47/94/167204794.db2.gz YVCXVIOEUBVKLS-UHFFFAOYSA-N 1 0 198.310 0.803 50 0 ACAARO CC[NH+]1CCC(NC(=O)C2CC2)CC1 16603329 167204952 /nfs/dbraw/zinc/20/49/52/167204952.db2.gz JXRCTAFVIXFRSE-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO CC[N@@H+]1CCC[C@@H]1CO 5194690 167205251 /nfs/dbraw/zinc/20/52/51/167205251.db2.gz GHQCZUMSSZNLJP-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC1 40025512 167205437 /nfs/dbraw/zinc/20/54/37/167205437.db2.gz MUJKYIZJLVMOBA-JTQLQIEISA-N 1 0 196.294 0.997 50 0 ACAARO CC[N@@H+]1CCC[C@@H](O)C1 404397 167205615 /nfs/dbraw/zinc/20/56/15/167205615.db2.gz ZNPSUOAGONLMLK-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CCN1CCC[C@H]([NH3+])C1 19369225 167205860 /nfs/dbraw/zinc/20/58/60/167205860.db2.gz WAKUKXKZEXFXJP-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H](ON)C1 95218369 167206307 /nfs/dbraw/zinc/20/63/07/167206307.db2.gz SYZPTVNMZNHKHU-ZETCQYMHSA-N 1 0 144.218 0.361 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1CO 4901311 167206549 /nfs/dbraw/zinc/20/65/49/167206549.db2.gz GHQCZUMSSZNLJP-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CCN1CCC[C@@H]1C[NH2+]CCN(C)C 20054267 167206717 /nfs/dbraw/zinc/20/67/17/167206717.db2.gz ZMVVDZONFGZUNP-LLVKDONJSA-N 1 0 199.342 0.622 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@@H]1CNC(N)=S 20285128 167206933 /nfs/dbraw/zinc/20/69/33/167206933.db2.gz PDKRKOVFEONVAU-SSDOTTSWSA-N 1 0 187.312 0.304 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1C(=O)OC 6667037 167207301 /nfs/dbraw/zinc/20/73/01/167207301.db2.gz QHWKVODROGDHIE-ZETCQYMHSA-N 1 0 157.213 0.644 50 0 ACAARO CC[N@@H+]1CCC[C@H]1CNC(N)=S 20285130 167207331 /nfs/dbraw/zinc/20/73/31/167207331.db2.gz PDKRKOVFEONVAU-ZETCQYMHSA-N 1 0 187.312 0.304 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1CN 19230162 167207474 /nfs/dbraw/zinc/20/74/74/167207474.db2.gz UNRBEYYLYRXYCG-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CCN1CCC[C@@H]1C[NH2+]C 90225622 167207542 /nfs/dbraw/zinc/20/75/42/167207542.db2.gz GIMRAHPLZCMZKC-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@@H]1C(=O)N(C)C 65575462 167207714 /nfs/dbraw/zinc/20/77/14/167207714.db2.gz IKVZGSYTHDRKOV-MRVPVSSYSA-N 1 0 170.256 0.559 50 0 ACAARO CC[N@@H+]1CCC[C@@H](ON)C1 95218371 167207724 /nfs/dbraw/zinc/20/77/24/167207724.db2.gz SYZPTVNMZNHKHU-SSDOTTSWSA-N 1 0 144.218 0.361 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1CNC(N)=O 20285394 167207786 /nfs/dbraw/zinc/20/77/86/167207786.db2.gz YFKFZLXPHYBZIO-ZETCQYMHSA-N 1 0 171.244 0.139 50 0 ACAARO CC[N@@H+]1CCC[C@@H]1CN 19230160 167207823 /nfs/dbraw/zinc/20/78/23/167207823.db2.gz UNRBEYYLYRXYCG-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CCN1CCC[C@H]1C[NH2+]CCN(C)C 20054269 167208147 /nfs/dbraw/zinc/20/81/47/167208147.db2.gz ZMVVDZONFGZUNP-NSHDSACASA-N 1 0 199.342 0.622 50 0 in-vitro ACAARO CCN1CCC[C@H]1C[NH2+]C 90225623 167208172 /nfs/dbraw/zinc/20/81/72/167208172.db2.gz GIMRAHPLZCMZKC-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@@H]1CNC(N)=O 20285391 167208387 /nfs/dbraw/zinc/20/83/87/167208387.db2.gz YFKFZLXPHYBZIO-SSDOTTSWSA-N 1 0 171.244 0.139 50 0 ACAARO CC[N@@H+]1CCC[C@H](O)C1 404399 167208442 /nfs/dbraw/zinc/20/84/42/167208442.db2.gz ZNPSUOAGONLMLK-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC1 40025510 167209806 /nfs/dbraw/zinc/20/98/06/167209806.db2.gz MUJKYIZJLVMOBA-SNVBAGLBSA-N 1 0 196.294 0.997 50 0 ACAARO CC[N@@H+]1CCC[C@@H]1C(=O)OC 6667036 167209945 /nfs/dbraw/zinc/20/99/45/167209945.db2.gz QHWKVODROGDHIE-SSDOTTSWSA-N 1 0 157.213 0.644 50 0 ACAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC 135892718 167210073 /nfs/dbraw/zinc/21/00/73/167210073.db2.gz SXIWPRRVNKTRHH-MRVPVSSYSA-N 1 0 185.271 0.400 50 0 ACAARO CC[N@@H+]1CCC[C@H]1C(=O)N(C)C 39116029 167210139 /nfs/dbraw/zinc/21/01/39/167210139.db2.gz IKVZGSYTHDRKOV-QMMMGPOBSA-N 1 0 170.256 0.559 50 0 ACAARO CC[NH+]1CCN(C)CC1 38893114 167211335 /nfs/dbraw/zinc/21/13/35/167211335.db2.gz TXIOGJHPPVXTOY-UHFFFAOYSA-N 1 0 128.219 0.254 50 0 ACAARO CCN1CC[NH2+]C[C@@H]1C 22798691 167211401 /nfs/dbraw/zinc/21/14/01/167211401.db2.gz AKCOBIDAJNERRN-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN1CC[NH2+]C[C@H]1c1ncc[nH]1 83340515 167211496 /nfs/dbraw/zinc/21/14/96/167211496.db2.gz HTSARYGPGGALSF-QMMMGPOBSA-N 1 0 180.255 0.376 50 0 in-vitro ACAARO CCN1CC[NH2+][C@H](C)C1 39077647 167213013 /nfs/dbraw/zinc/21/30/13/167213013.db2.gz DZZVHQHELMADSH-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN1CCN(C2CC[NH2+]CC2)C1=O 49454943 167213107 /nfs/dbraw/zinc/21/31/07/167213107.db2.gz CHSCZFMVNPZRFT-UHFFFAOYSA-N 1 0 197.282 0.496 50 0 in-vitro ACAARO CC[N@@H+]1CCNCC1(C)C 23094242 167213635 /nfs/dbraw/zinc/21/36/35/167213635.db2.gz YUVOFTSSROPRCP-UHFFFAOYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CCN1CC[NH+](CCCCO)CC1 35649806 167214308 /nfs/dbraw/zinc/21/43/08/167214308.db2.gz QNINQNAGDRKECY-UHFFFAOYSA-N 1 0 186.299 0.396 50 0 in-vitro ACAARO CCN1CC[NH2+][C@@H](C)C1 39077648 167214359 /nfs/dbraw/zinc/21/43/59/167214359.db2.gz DZZVHQHELMADSH-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN1CC[NH+](CC)CC1 19798466 167214610 /nfs/dbraw/zinc/21/46/10/167214610.db2.gz DDPRYTUJYNYJKV-UHFFFAOYSA-N 1 0 142.246 0.644 50 0 ACAARO CCN1CC[NH2+]C[C@H]1C 22798698 167214682 /nfs/dbraw/zinc/21/46/82/167214682.db2.gz AKCOBIDAJNERRN-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN1CC[NH2+]C[C@@H]1c1ncc[nH]1 83340514 167215320 /nfs/dbraw/zinc/21/53/20/167215320.db2.gz HTSARYGPGGALSF-MRVPVSSYSA-N 1 0 180.255 0.376 50 0 in-vitro ACAARO CC[N@@H+]1CC[C@@H](O)C1 5020049 167216040 /nfs/dbraw/zinc/21/60/40/167216040.db2.gz IDBNECMSCRAUNU-ZCFIWIBFSA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO CCN1CC[C@@H]([NH3+])C1 33426857 167217941 /nfs/dbraw/zinc/21/79/41/167217941.db2.gz GOLVGZOPWLLUSF-ZCFIWIBFSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO CC[NH+]1CCOCC1 20230620 167218069 /nfs/dbraw/zinc/21/80/69/167218069.db2.gz HVCNXQOWACZAFN-UHFFFAOYSA-N 1 0 115.176 0.339 50 0 in-vitro ACAARO CCN1CC[C@@H]([NH2+]C)C1 37241619 167218538 /nfs/dbraw/zinc/21/85/38/167218538.db2.gz HTLBMXFGHIAEJS-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CCN1CC[C@@H]1C[NH3+] 34437971 167218642 /nfs/dbraw/zinc/21/86/42/167218642.db2.gz VCGBXNXXMFHOBK-ZCFIWIBFSA-N 1 0 114.192 0.039 50 0 ACAARO CC[N@@H+]1CC[C@@H](CO)C1 19091617 167220807 /nfs/dbraw/zinc/22/08/07/167220807.db2.gz OQESQLHTMOOSST-SSDOTTSWSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO CCN1CC[C@H]1C[NH3+] 34437973 167221769 /nfs/dbraw/zinc/22/17/69/167221769.db2.gz VCGBXNXXMFHOBK-LURJTMIESA-N 1 0 114.192 0.039 50 0 ACAARO CC[N@@H+]1CCc2c(nnn2C)C1 1252955 167222036 /nfs/dbraw/zinc/22/20/36/167222036.db2.gz WKHJBMZFFMAYHD-UHFFFAOYSA-N 1 0 166.228 0.193 50 0 ACAARO CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 72314505 167222460 /nfs/dbraw/zinc/22/24/60/167222460.db2.gz LIWDBILSDMYGHH-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CCN1CC[C@H]([NH3+])C1 33426858 167223074 /nfs/dbraw/zinc/22/30/74/167223074.db2.gz GOLVGZOPWLLUSF-LURJTMIESA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO CC[N@H+]1CCc2nc(N)oc2CC1 982 167223502 /nfs/dbraw/zinc/22/35/02/167223502.db2.gz ZNXAJGZPUQOEDZ-UHFFFAOYSA-N 1 0 181.239 0.677 50 0 in-man ACAARO CCN1CC[C@H]([NH2+]C)C1 37241617 167224123 /nfs/dbraw/zinc/22/41/23/167224123.db2.gz HTLBMXFGHIAEJS-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC[N@@H+]1CC[C@H](O)C1 4901309 167224330 /nfs/dbraw/zinc/22/43/30/167224330.db2.gz IDBNECMSCRAUNU-LURJTMIESA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO CC[N@@H+]1CC[C@H](CO)C1 19091620 167225285 /nfs/dbraw/zinc/22/52/85/167225285.db2.gz OQESQLHTMOOSST-ZETCQYMHSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 14987545 167225703 /nfs/dbraw/zinc/22/57/03/167225703.db2.gz ANOMDXFRYJKQTQ-HTQZYQBOSA-N 1 0 143.230 0.709 50 0 ACAARO CC[N@@H+]1C[C@@H](C)C[C@@H](O)C1 14987543 167226280 /nfs/dbraw/zinc/22/62/80/167226280.db2.gz ANOMDXFRYJKQTQ-JGVFFNPUSA-N 1 0 143.230 0.709 50 0 ACAARO CC[N@@H+]1C[C@H](C)NC[C@H]1C 72482137 167226337 /nfs/dbraw/zinc/22/63/37/167226337.db2.gz QNTATFFRXJXEKI-JGVFFNPUSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CCN1C[C@@H]2C[C@H]1C[NH2+]2 91351523 167226385 /nfs/dbraw/zinc/22/63/85/167226385.db2.gz JHJSEBFGEBLLQN-BQBZGAKWSA-N 1 0 126.203 0.052 50 0 ACAARO CCN1C[C@@H](C[NH2+]C)CC1=O 19088183 167226457 /nfs/dbraw/zinc/22/64/57/167226457.db2.gz ULMIVQRUJOTETO-SSDOTTSWSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO CCN1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2O 22688793 167227166 /nfs/dbraw/zinc/22/71/66/167227166.db2.gz FZZHCHHISSHTAE-FGWVZKOKSA-N 1 0 198.310 0.299 50 0 ACAARO CC[N@H+]1C[C@@H](O)C[C@@H](C)C1 4343929 167227196 /nfs/dbraw/zinc/22/71/96/167227196.db2.gz ANOMDXFRYJKQTQ-SFYZADRCSA-N 1 0 143.230 0.709 50 0 ACAARO CCN1C[C@H](C[NH2+]C)CC1=O 19088186 167227471 /nfs/dbraw/zinc/22/74/71/167227471.db2.gz ULMIVQRUJOTETO-ZETCQYMHSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO CC[N@@H+]1C[C@@H](C)NC[C@H]1C 238855114 167227710 /nfs/dbraw/zinc/22/77/10/167227710.db2.gz QNTATFFRXJXEKI-HTQZYQBOSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[N@@H+]1C[C@H](C)N[C@H](C)C1 70533554 167227887 /nfs/dbraw/zinc/22/78/87/167227887.db2.gz WETMGCUENOHMKS-OCAPTIKFSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[NH+]1C[C@@H](C)N[C@H](C)C1 70533555 167228100 /nfs/dbraw/zinc/22/81/00/167228100.db2.gz WETMGCUENOHMKS-HTQZYQBOSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[NH+]1C[C@H](C)N[C@@H](C)C1 70533556 167228256 /nfs/dbraw/zinc/22/82/56/167228256.db2.gz WETMGCUENOHMKS-YUMQZZPRSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[N@@H+]1C[C@@H](C)NC[C@@H]1C 62566243 167228350 /nfs/dbraw/zinc/22/83/50/167228350.db2.gz QNTATFFRXJXEKI-SFYZADRCSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[N@@H+]1C[C@@H]2C[C@H](C1)C2=O 47845152 167228412 /nfs/dbraw/zinc/22/84/12/167228412.db2.gz DPOXVLYGMKIJAJ-KNVOCYPGSA-N 1 0 139.198 0.527 50 0 in-vitro ACAARO CCN1C[C@H]2C[C@@H]1C[NH2+]2 19796085 167228735 /nfs/dbraw/zinc/22/87/35/167228735.db2.gz JHJSEBFGEBLLQN-RNFRBKRXSA-N 1 0 126.203 0.052 50 0 ACAARO CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 1296208 167229153 /nfs/dbraw/zinc/22/91/53/167229153.db2.gz ANOMDXFRYJKQTQ-YUMQZZPRSA-N 1 0 143.230 0.709 50 0 ACAARO CC[N@@H+]1C[C@H](C)NC[C@@H]1C 62566241 167229165 /nfs/dbraw/zinc/22/91/65/167229165.db2.gz QNTATFFRXJXEKI-YUMQZZPRSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC[NH2+]C 2031662 167231743 /nfs/dbraw/zinc/23/17/43/167231743.db2.gz LIWAQLJGPBVORC-UHFFFAOYSA-N 1 0 59.112 0.226 50 0 in-vivo ACAARO CC[N@@H+]1[C@@H](C)CNC[C@H]1C 19801192 167231969 /nfs/dbraw/zinc/23/19/69/167231969.db2.gz GKHLJUSYIJMTQH-OCAPTIKFSA-N 1 0 142.246 0.689 50 0 ACAARO CCNC(=O)C1CC[NH2+]CC1 19803875 167232489 /nfs/dbraw/zinc/23/24/89/167232489.db2.gz KMFMXQYAYHXUJO-UHFFFAOYSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO CCNC(=O)CC[NH2+]C(C)C 19736978 167232892 /nfs/dbraw/zinc/23/28/92/167232892.db2.gz DQAKKAWSELSMOD-UHFFFAOYSA-N 1 0 158.245 0.511 50 0 ACAARO CCNC(=O)CC[NH2+]CCCOC 19737019 167233183 /nfs/dbraw/zinc/23/31/83/167233183.db2.gz GKJSRBLMIKDGIJ-UHFFFAOYSA-N 1 0 188.271 0.139 50 0 ACAARO CCNC(=O)C[N@H+](C)[C@H](C)C1CC1 58403739 167233570 /nfs/dbraw/zinc/23/35/70/167233570.db2.gz IDXFGCQDUAQUOD-MRVPVSSYSA-N 1 0 184.283 0.853 50 0 ACAARO CCNC(=O)C[N@@H+]1CCC[C@@H](C)C1 41362770 167233711 /nfs/dbraw/zinc/23/37/11/167233711.db2.gz YWPADABJHJORIS-SECBINFHSA-N 1 0 184.283 0.854 50 0 ACAARO CCNC(=O)C1([NH3+])CCCC1 37479356 167233897 /nfs/dbraw/zinc/23/38/97/167233897.db2.gz WBPLEJGHYAWBJV-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 in-vitro ACAARO CCNC(=O)CC[NH2+]Cc1ccco1 19736987 167234019 /nfs/dbraw/zinc/23/40/19/167234019.db2.gz JMCKRROADKLEHD-UHFFFAOYSA-N 1 0 196.250 0.895 50 0 ACAARO CCNC(=O)CC[NH2+][C@H](C)CC 19737013 167234440 /nfs/dbraw/zinc/23/44/40/167234440.db2.gz ZGPZKBDZNMVBOR-MRVPVSSYSA-N 1 0 172.272 0.901 50 0 ACAARO CCNC(=O)CC[NH2+]C(C)(C)C 19736950 167234471 /nfs/dbraw/zinc/23/44/71/167234471.db2.gz XMHLDLRWGRPCMH-UHFFFAOYSA-N 1 0 172.272 0.901 50 0 ACAARO CCNC(=O)C1(C[NH3+])CCC1 82632171 167234596 /nfs/dbraw/zinc/23/45/96/167234596.db2.gz GIJVWSYHNGNQOD-UHFFFAOYSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO CCNC(=O)C(C)(C)C[NH3+] 44751240 167234652 /nfs/dbraw/zinc/23/46/52/167234652.db2.gz SDYOQWNQOQNURG-UHFFFAOYSA-N 1 0 144.218 0.107 50 0 in-vitro ACAARO CCNC(=O)CC[NH+]1CCCCC1 78694221 167234962 /nfs/dbraw/zinc/23/49/62/167234962.db2.gz URKOEHBCRODEQR-UHFFFAOYSA-N 1 0 184.283 0.999 50 0 ACAARO CCNC(=O)CC1CC[NH+](C)CC1 71375682 167235019 /nfs/dbraw/zinc/23/50/19/167235019.db2.gz ARCSZCZDWXHSOR-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 ACAARO CCNC(=O)C[N@H+](C)[C@@H](C)C1CC1 58403736 167235044 /nfs/dbraw/zinc/23/50/44/167235044.db2.gz IDXFGCQDUAQUOD-QMMMGPOBSA-N 1 0 184.283 0.853 50 0 ACAARO CCNC(=O)CC[NH2+][C@@H](C)CC 19737012 167235136 /nfs/dbraw/zinc/23/51/36/167235136.db2.gz ZGPZKBDZNMVBOR-QMMMGPOBSA-N 1 0 172.272 0.901 50 0 ACAARO CCNC(=O)C1([NH3+])CCCCC1 19478090 167235388 /nfs/dbraw/zinc/23/53/88/167235388.db2.gz KASRZEZSFBGKKE-UHFFFAOYSA-N 1 0 170.256 0.784 50 0 in-vitro ACAARO CCNC(=O)C[C@@H]1CCCC[NH2+]1 20597479 167236578 /nfs/dbraw/zinc/23/65/78/167236578.db2.gz DXSIWZMPELQDJX-QMMMGPOBSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CCNC(=O)C[N@@H+]1CCC[C@H](C)C1 41362768 167237575 /nfs/dbraw/zinc/23/75/75/167237575.db2.gz YWPADABJHJORIS-VIFPVBQESA-N 1 0 184.283 0.854 50 0 ACAARO CCNC(=O)C[C@H]1CCCC[NH2+]1 20597480 167240349 /nfs/dbraw/zinc/24/03/49/167240349.db2.gz DXSIWZMPELQDJX-MRVPVSSYSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CCNC(=O)N[C@@H]1CCC[NH2+]C1 36949278 167244198 /nfs/dbraw/zinc/24/41/98/167244198.db2.gz LVRXBAMYWHSMJS-SSDOTTSWSA-N 1 0 171.244 0.058 50 0 ACAARO CCNC(=O)NCCC[NH+](C)C 2167573 167244290 /nfs/dbraw/zinc/24/42/90/167244290.db2.gz NGJUYARYEXGDNN-UHFFFAOYSA-N 1 0 173.260 0.257 50 0 ACAARO CCNC(=O)NCC1CC[NH+](C)CC1 38572978 167245114 /nfs/dbraw/zinc/24/51/14/167245114.db2.gz XBICZCKJVPCMLH-UHFFFAOYSA-N 1 0 199.298 0.647 50 0 ACAARO CCNC(=O)NCC1([NH3+])CCCCC1 41044043 167245304 /nfs/dbraw/zinc/24/53/04/167245304.db2.gz OUQIVULLZOBLRN-UHFFFAOYSA-N 1 0 199.298 0.967 50 0 ACAARO CCNC(=O)NC1CC[NH2+]CC1 36949273 167245391 /nfs/dbraw/zinc/24/53/91/167245391.db2.gz ZWNYGGDMCSIJNS-UHFFFAOYSA-N 1 0 171.244 0.058 50 0 ACAARO CCNC(=O)OC[C@H]1CCCC[NH2+]1 86229857 167246433 /nfs/dbraw/zinc/24/64/33/167246433.db2.gz RVWZRPKZNCHSCR-MRVPVSSYSA-N 1 0 186.255 0.875 50 0 in-vitro ACAARO CCNC(=O)OC1CC[NH2+]CC1 71864395 167246764 /nfs/dbraw/zinc/24/67/64/167246764.db2.gz JIYLLYLKTJCEEL-UHFFFAOYSA-N 1 0 172.228 0.485 50 0 in-vitro ACAARO CCNC(=O)N[C@H]1CCC[NH2+]C1 36949279 167246980 /nfs/dbraw/zinc/24/69/80/167246980.db2.gz LVRXBAMYWHSMJS-ZETCQYMHSA-N 1 0 171.244 0.058 50 0 ACAARO CCNC(=O)[C@@H]([NH3+])C(C)C 19519234 167247091 /nfs/dbraw/zinc/24/70/91/167247091.db2.gz CGSZOOCLKWNIAG-LURJTMIESA-N 1 0 144.218 0.106 50 0 in-vitro ACAARO CCNC(=O)OC[C@@H]1CCCC[NH2+]1 86229855 167247612 /nfs/dbraw/zinc/24/76/12/167247612.db2.gz RVWZRPKZNCHSCR-QMMMGPOBSA-N 1 0 186.255 0.875 50 0 in-vitro ACAARO CCNC(=O)[C@H]([NH3+])CC(C)C 19426330 167248577 /nfs/dbraw/zinc/24/85/77/167248577.db2.gz ODAKRYUDLXZGCT-SSDOTTSWSA-N 1 0 158.245 0.496 50 0 ACAARO CCNC(=O)[C@@H]1CCC[NH2+]C1 19410796 167248988 /nfs/dbraw/zinc/24/89/88/167248988.db2.gz GLKMZNSNCZDAGC-SSDOTTSWSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO CCNC(=O)[C@@H]([NH3+])c1ccccc1 19507509 167249171 /nfs/dbraw/zinc/24/91/71/167249171.db2.gz ZKUPSAFYAKFTLX-VIFPVBQESA-N 1 0 178.235 0.823 50 0 ACAARO CCNC(=O)[C@H]([NH3+])C(C)C 19519235 167249656 /nfs/dbraw/zinc/24/96/56/167249656.db2.gz CGSZOOCLKWNIAG-ZCFIWIBFSA-N 1 0 144.218 0.106 50 0 in-vitro ACAARO CCNC(=O)[C@@H]([NH3+])CC(C)C 19426329 167249906 /nfs/dbraw/zinc/24/99/06/167249906.db2.gz ODAKRYUDLXZGCT-ZETCQYMHSA-N 1 0 158.245 0.496 50 0 in-vitro ACAARO CCNC(=O)[C@@H]1CCCC[NH2+]1 19409920 167250650 /nfs/dbraw/zinc/25/06/50/167250650.db2.gz LQVNNJBNMDEIHM-ZETCQYMHSA-N 1 0 156.229 0.265 50 0 ACAARO CCNC(=O)[C@H]([NH3+])c1ccccc1 19507511 167250794 /nfs/dbraw/zinc/25/07/94/167250794.db2.gz ZKUPSAFYAKFTLX-SECBINFHSA-N 1 0 178.235 0.823 50 0 ACAARO CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 95210791 167250830 /nfs/dbraw/zinc/25/08/30/167250830.db2.gz GSWXUVSUISRNSZ-JTQLQIEISA-N 1 0 192.262 0.693 50 0 in-vitro ACAARO CCNC(=O)[C@H]([NH3+])Cc1ccccc1 95210790 167250900 /nfs/dbraw/zinc/25/09/00/167250900.db2.gz GSWXUVSUISRNSZ-SNVBAGLBSA-N 1 0 192.262 0.693 50 0 in-vitro ACAARO CCNC(=O)c1ccc(C[NH3+])cc1 22150717 167251723 /nfs/dbraw/zinc/25/17/23/167251723.db2.gz YUCCNGHVNHMOBD-UHFFFAOYSA-N 1 0 178.235 0.895 50 0 ACAARO CCNC(=O)c1cccc(C[NH3+])c1 22148213 167252866 /nfs/dbraw/zinc/25/28/66/167252866.db2.gz QAIICLBYCCVBEF-UHFFFAOYSA-N 1 0 178.235 0.895 50 0 ACAARO CCNC(=O)[C@H]1CCC[NH2+]C1 19410798 167253322 /nfs/dbraw/zinc/25/33/22/167253322.db2.gz GLKMZNSNCZDAGC-ZETCQYMHSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO CCNC(=O)[C@H]1CCCC[NH2+]1 19409922 167253557 /nfs/dbraw/zinc/25/35/57/167253557.db2.gz LQVNNJBNMDEIHM-SSDOTTSWSA-N 1 0 156.229 0.265 50 0 ACAARO CC[NH2+]C(C)(C)CO 19093059 167254509 /nfs/dbraw/zinc/25/45/09/167254509.db2.gz CPEPOQRXWWGDCU-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC[NH2+]CC(=O)NCc1cccs1 2650168 167257197 /nfs/dbraw/zinc/25/71/97/167257197.db2.gz PMRZUTXHMBRECL-UHFFFAOYSA-N 1 0 198.291 0.974 50 0 in-vitro ACAARO CC[NH2+]C1(CC)COC1 98214188 167257526 /nfs/dbraw/zinc/25/75/26/167257526.db2.gz BRXFTJQEDFFEPS-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 ACAARO CC[NH2+]CC(=O)NCC1CC1 19278108 167257933 /nfs/dbraw/zinc/25/79/33/167257933.db2.gz LIKVQDKLENJSGS-UHFFFAOYSA-N 1 0 156.229 0.122 50 0 ACAARO CC[NH2+]CC(=O)NC1CCCC1 19817292 167257951 /nfs/dbraw/zinc/25/79/51/167257951.db2.gz JKZUHCSEBIOZDV-UHFFFAOYSA-N 1 0 170.256 0.655 50 0 ACAARO CC[NH2+]C1CCN(C)CC1 19439814 167258109 /nfs/dbraw/zinc/25/81/09/167258109.db2.gz GJCMPLHRWWWPHN-UHFFFAOYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[NH2+]C1CCOCC1 20608926 167258262 /nfs/dbraw/zinc/25/82/62/167258262.db2.gz MRBDURJWQDYZGN-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CC[NH2+]C1(C)COC1 98210445 167258270 /nfs/dbraw/zinc/25/82/70/167258270.db2.gz YFSCEOIVSNLMBQ-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 ACAARO CC[NH2+]CC(=O)N1CCCCCC1 19817294 167258381 /nfs/dbraw/zinc/25/83/81/167258381.db2.gz DBTAPKSDRKUCFW-UHFFFAOYSA-N 1 0 184.283 0.999 50 0 in-vitro ACAARO CC[NH2+]CC(=O)NCc1ccccc1 20302331 167258798 /nfs/dbraw/zinc/25/87/98/167258798.db2.gz MLEMOUGXMHMXDO-UHFFFAOYSA-N 1 0 192.262 0.912 50 0 ACAARO CC[NH2+]C1CC1 19091987 167259080 /nfs/dbraw/zinc/25/90/80/167259080.db2.gz ULEZWUGQDAQWPT-UHFFFAOYSA-N 1 0 85.150 0.758 50 0 in-vitro ACAARO CC[NH2+]CC(=O)N[C@@H](C)CC 19392356 167259284 /nfs/dbraw/zinc/25/92/84/167259284.db2.gz FAEKBPLMCDFDLG-ZETCQYMHSA-N 1 0 158.245 0.511 50 0 ACAARO CC[NH2+]CC(=O)NC(C)C 2649918 167259355 /nfs/dbraw/zinc/25/93/55/167259355.db2.gz ZFKNBQCWKKBUCX-UHFFFAOYSA-N 1 0 144.218 0.121 50 0 in-vitro ACAARO CC[NH2+]CC(=O)NC(C)(C)C 3287185 167259579 /nfs/dbraw/zinc/25/95/79/167259579.db2.gz OHRURHOMMYAULE-UHFFFAOYSA-N 1 0 158.245 0.511 50 0 in-vitro ACAARO CC[NH2+]CC 1661184 167259957 /nfs/dbraw/zinc/25/99/57/167259957.db2.gz HPNMFZURTQLUMO-UHFFFAOYSA-N 1 0 73.139 0.616 50 0 endogenous,in-man ACAARO CC[NH2+]CC(=O)NC(CC)CC 44288816 167260136 /nfs/dbraw/zinc/26/01/36/167260136.db2.gz VNKRMZGRRVXYAY-UHFFFAOYSA-N 1 0 172.272 0.901 50 0 ACAARO CC[NH2+]CC(=O)N[C@H](C)CC 19392359 167260262 /nfs/dbraw/zinc/26/02/62/167260262.db2.gz FAEKBPLMCDFDLG-SSDOTTSWSA-N 1 0 158.245 0.511 50 0 ACAARO CC[NH2+]CCCN1CCOCC1 19737009 167260755 /nfs/dbraw/zinc/26/07/55/167260755.db2.gz ZYEXGRIFQOMQNS-UHFFFAOYSA-N 1 0 172.272 0.318 50 0 in-vitro ACAARO CC[NH2+]CCC(=O)OCC 5852946 167260976 /nfs/dbraw/zinc/26/09/76/167260976.db2.gz CNRWEHBBGLCEHG-UHFFFAOYSA-N 1 0 145.202 0.549 50 0 ACAARO CC[NH2+]CCCCO 2567300 167261525 /nfs/dbraw/zinc/26/15/25/167261525.db2.gz PVNNOLUAMRODAC-UHFFFAOYSA-N 1 0 117.192 0.368 50 0 in-vitro ACAARO CC[NH2+]CCCCCO 49804429 167261527 /nfs/dbraw/zinc/26/15/27/167261527.db2.gz GZIGHROPGNILHK-UHFFFAOYSA-N 1 0 131.219 0.759 50 0 ACAARO CC[NH2+]CC(OC)OC 33608631 167261732 /nfs/dbraw/zinc/26/17/32/167261732.db2.gz BNTDCSJFYZPOMC-UHFFFAOYSA-N 1 0 133.191 0.215 50 0 ACAARO CC[NH2+]CC(OCC)OCC 2539957 167261878 /nfs/dbraw/zinc/26/18/78/167261878.db2.gz YSCNYKGRVUVJHA-UHFFFAOYSA-N 1 0 161.245 0.995 50 0 ACAARO CC[NH2+]CC(C)=O 81131551 167262059 /nfs/dbraw/zinc/26/20/59/167262059.db2.gz OBPPXHYAIUTNAW-UHFFFAOYSA-N 1 0 101.149 0.185 50 0 in-vitro ACAARO CCNC(=O)CC[NH2+]CC 19737001 167262463 /nfs/dbraw/zinc/26/24/63/167262463.db2.gz JNKNTVDDUSWEHW-UHFFFAOYSA-N 1 0 144.218 0.122 50 0 ACAARO CC[NH2+]CCC(=O)OC 5650419 167263016 /nfs/dbraw/zinc/26/30/16/167263016.db2.gz KDGSVMQRTUAIDO-UHFFFAOYSA-N 1 0 131.175 0.159 50 0 in-vitro ACAARO CC[NH2+]CC1CCN(C(C)=O)CC1 79437375 167263181 /nfs/dbraw/zinc/26/31/81/167263181.db2.gz BWFFVXOFCNANBE-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 ACAARO CC[NH2+]CC(C)(C)O 1620978 167263307 /nfs/dbraw/zinc/26/33/07/167263307.db2.gz XJUNFOQRHFYPKP-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC[NH2+]CCC[NH2+]CCCOC 19737021 167263443 /nfs/dbraw/zinc/26/34/43/167263443.db2.gz VBZNNTBXYDDNPR-UHFFFAOYSA-N 1 0 174.288 0.612 50 0 ACAARO CC[NH2+]CCCC(=O)OC 37249892 167263786 /nfs/dbraw/zinc/26/37/86/167263786.db2.gz PEOHFFPBAXUCQI-UHFFFAOYSA-N 1 0 145.202 0.549 50 0 ACAARO CC[NH2+]CCC[NH2+]C(C)C 19736980 167264006 /nfs/dbraw/zinc/26/40/06/167264006.db2.gz RZJOWYYRVMKCDF-UHFFFAOYSA-N 1 0 144.262 0.984 50 0 ACAARO CC[NH2+]CCNCC(F)(F)F 22466851 167264440 /nfs/dbraw/zinc/26/44/40/167264440.db2.gz VIMDLHLDHJYTIX-UHFFFAOYSA-N 1 0 170.178 0.748 50 0 ACAARO CC[NH2+]CCOCC 2522933 167264633 /nfs/dbraw/zinc/26/46/33/167264633.db2.gz HDWAEDOMCNQUSW-UHFFFAOYSA-N 1 0 117.192 0.632 50 0 in-vitro ACAARO CC[NH2+]CCN(C)C 19367503 167264859 /nfs/dbraw/zinc/26/48/59/167264859.db2.gz WLNSKTSWPYTNLY-UHFFFAOYSA-N 1 0 116.208 0.158 50 0 ACAARO CC[NH2+]CCOC 2516949 167265193 /nfs/dbraw/zinc/26/51/93/167265193.db2.gz VGEMYWDUTPQWBN-UHFFFAOYSA-N 1 0 103.165 0.242 50 0 in-vitro ACAARO CCNCC[NH2+]CC 19366278 167265285 /nfs/dbraw/zinc/26/52/85/167265285.db2.gz CJKRXEBLWJVYJD-UHFFFAOYSA-N 1 0 116.208 0.205 50 0 in-vitro ACAARO CC[NH2+]CCN(CC)CC 95079696 167265539 /nfs/dbraw/zinc/26/55/39/167265539.db2.gz HDCAZTXEZQWTIJ-UHFFFAOYSA-N 1 0 144.262 0.938 50 0 ACAARO CC[NH2+]CCOCCOC 44422482 167265723 /nfs/dbraw/zinc/26/57/23/167265723.db2.gz CHLRBYYFKHTLKQ-UHFFFAOYSA-N 1 0 147.218 0.259 50 0 ACAARO CC[NH2+]CCN(CC)N(O)N=O 3870938 167265887 /nfs/dbraw/zinc/26/58/87/167265887.db2.gz KCXCCSJYRGUQFM-UHFFFAOYSA-N 1 0 176.220 0.205 50 0 ACAARO CC[NH2+]CCN(C)CC 23352663 167266257 /nfs/dbraw/zinc/26/62/57/167266257.db2.gz KEUXZGFIRAKFAG-UHFFFAOYSA-N 1 0 130.235 0.548 50 0 ACAARO CC[NH2+]CCN1CCCC1 22917649 167267319 /nfs/dbraw/zinc/26/73/19/167267319.db2.gz FBYCSNRISIMKFX-UHFFFAOYSA-N 1 0 142.246 0.692 50 0 in-vitro ACAARO CC[NH2+]C[C@@H](O)C(F)(F)F 82680445 167268008 /nfs/dbraw/zinc/26/80/08/167268008.db2.gz JMZHIEFIHACQKS-SCSAIBSYSA-N 1 0 157.135 0.519 50 0 in-vitro ACAARO CC[NH2+]C[C@@H](O)CC 30834289 167268050 /nfs/dbraw/zinc/26/80/50/167268050.db2.gz JRLAKNMVEGRRGK-LURJTMIESA-N 1 0 117.192 0.367 50 0 ACAARO CC[NH2+]CCSC 42222151 167268231 /nfs/dbraw/zinc/26/82/31/167268231.db2.gz GEFMUUGSTDXPSY-UHFFFAOYSA-N 1 0 119.233 0.959 50 0 ACAARO CC[NH2+]CCn1cccn1 19089383 167268443 /nfs/dbraw/zinc/26/84/43/167268443.db2.gz WGXJFYMKBJEBEF-UHFFFAOYSA-N 1 0 139.202 0.493 50 0 in-vitro ACAARO CC[NH2+]C[C@@H](C)C(=O)OC 17378585 167268458 /nfs/dbraw/zinc/26/84/58/167268458.db2.gz ZMGSTHPWYHINIC-ZCFIWIBFSA-N 1 0 145.202 0.405 50 0 in-vitro ACAARO CC[NH2+]CCn1ccnc1 41042025 167268743 /nfs/dbraw/zinc/26/87/43/167268743.db2.gz NVYAUEUOIDPZCX-UHFFFAOYSA-N 1 0 139.202 0.493 50 0 in-vitro ACAARO CC[NH2+]C[C@@H](C)OC 52602179 167270312 /nfs/dbraw/zinc/27/03/12/167270312.db2.gz ROJOPIDHWGFMTD-ZCFIWIBFSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CC[NH2+]C[C@@H]1CCOC1 19505512 167271901 /nfs/dbraw/zinc/27/19/01/167271901.db2.gz XUBOPJGJMYXBDW-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO CC[NH2+]C[C@H]1CCCN1C 22073398 167272070 /nfs/dbraw/zinc/27/20/70/167272070.db2.gz ADIPLQWTEHRACR-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 ACAARO CC[NH2+]C[C@H](C)OC 52602181 167272478 /nfs/dbraw/zinc/27/24/78/167272478.db2.gz ROJOPIDHWGFMTD-LURJTMIESA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CC[NH2+]C[C@H](C)C(=O)OC 1621723 167272489 /nfs/dbraw/zinc/27/24/89/167272489.db2.gz ZMGSTHPWYHINIC-LURJTMIESA-N 1 0 145.202 0.405 50 0 in-vitro ACAARO CC[NH2+]C[C@@H]1CCCO1 2170194 167272572 /nfs/dbraw/zinc/27/25/72/167272572.db2.gz HLSDMLXXPIEJFI-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CC[NH2+]C[C@@H]1COCCO1 19737061 167272704 /nfs/dbraw/zinc/27/27/04/167272704.db2.gz CLHCIYHDEXJKHF-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 ACAARO CC[NH2+]C[C@@H]1CCCN1C 22073396 167272807 /nfs/dbraw/zinc/27/28/07/167272807.db2.gz ADIPLQWTEHRACR-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 ACAARO CC[NH2+]C[C@H](O)C(F)(F)F 82680444 167272867 /nfs/dbraw/zinc/27/28/67/167272867.db2.gz JMZHIEFIHACQKS-BYPYZUCNSA-N 1 0 157.135 0.519 50 0 in-vitro ACAARO CC[NH2+]C[C@H](O)CC 30834291 167273014 /nfs/dbraw/zinc/27/30/14/167273014.db2.gz JRLAKNMVEGRRGK-ZCFIWIBFSA-N 1 0 117.192 0.367 50 0 ACAARO CC[NH2+]Cc1c(CO)cnc(C)c1O 126152942 167273769 /nfs/dbraw/zinc/27/37/69/167273769.db2.gz BTVHVZBTZNPPSV-UHFFFAOYSA-N 1 0 196.250 0.697 50 0 ACAARO CC[NH2+]C[C@H]1CCCO1 1632713 167273920 /nfs/dbraw/zinc/27/39/20/167273920.db2.gz HLSDMLXXPIEJFI-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CC[NH2+]Cc1cc[nH]n1 36899936 167274132 /nfs/dbraw/zinc/27/41/32/167274132.db2.gz HXZODRZNMSFGLZ-UHFFFAOYSA-N 1 0 125.175 0.519 50 0 ACAARO CC[NH2+]C[C@H]1CCOC1 19505513 167275055 /nfs/dbraw/zinc/27/50/55/167275055.db2.gz XUBOPJGJMYXBDW-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO CC[NH2+]C[C@H]1COCCO1 19737062 167275234 /nfs/dbraw/zinc/27/52/34/167275234.db2.gz CLHCIYHDEXJKHF-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 ACAARO CC[NH2+]Cc1cn(C)nc1C 9306299 167276292 /nfs/dbraw/zinc/27/62/92/167276292.db2.gz WIXGONMGSHBZFS-UHFFFAOYSA-N 1 0 153.229 0.838 50 0 in-vitro ACAARO CC[NH2+]Cc1nonc1C 2534282 167276919 /nfs/dbraw/zinc/27/69/19/167276919.db2.gz QTZTVDCSGDDPEE-UHFFFAOYSA-N 1 0 141.174 0.488 50 0 ACAARO CC[NH2+]Cc1cnn(C)c1 11920296 167277416 /nfs/dbraw/zinc/27/74/16/167277416.db2.gz WODLNVYLYQXAOH-UHFFFAOYSA-N 1 0 139.202 0.530 50 0 in-vitro ACAARO CC[NH2+]Cc1cnn(C)c1C 9303921 167278030 /nfs/dbraw/zinc/27/80/30/167278030.db2.gz HXVHXZXRPXLIIL-UHFFFAOYSA-N 1 0 153.229 0.838 50 0 ACAARO CC[NH2+]Cc1cccc(C(N)=O)c1 19440766 167278222 /nfs/dbraw/zinc/27/82/22/167278222.db2.gz WTMZWRCUIZHAHO-UHFFFAOYSA-N 1 0 178.235 0.895 50 0 ACAARO CC[NH2+]Cc1ncc[nH]1 22861352 167278695 /nfs/dbraw/zinc/27/86/95/167278695.db2.gz YBZZOLVIHMQPDY-UHFFFAOYSA-N 1 0 125.175 0.519 50 0 ACAARO CC[NH2+]Cc1nccn1C 4243967 167278758 /nfs/dbraw/zinc/27/87/58/167278758.db2.gz FZEVGHJNAKWZTR-UHFFFAOYSA-N 1 0 139.202 0.530 50 0 in-vitro ACAARO CC[NH2+]Cc1ccnc(C)n1 22861583 167279017 /nfs/dbraw/zinc/27/90/17/167279017.db2.gz FOMWIYXVMIKJAU-UHFFFAOYSA-N 1 0 151.213 0.895 50 0 ACAARO CC[NH2+][C@@H](C)CCO 19092117 167279807 /nfs/dbraw/zinc/27/98/07/167279807.db2.gz AXCSUIBUZBQBGT-LURJTMIESA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC[NH2+][C@@H](C)CC(=O)OCC 34925142 167280404 /nfs/dbraw/zinc/28/04/04/167280404.db2.gz BFRMCOWFDUQFMA-ZETCQYMHSA-N 1 0 159.229 0.938 50 0 in-vitro ACAARO CC[NH2+][C@@H](C)CN(C)C 43816058 167280997 /nfs/dbraw/zinc/28/09/97/167280997.db2.gz JQURSUCXJUAFGZ-ZETCQYMHSA-N 1 0 130.235 0.546 50 0 in-vitro ACAARO CC[NH2+][C@@H](C)CS(C)(=O)=O 52789035 167283464 /nfs/dbraw/zinc/28/34/64/167283464.db2.gz QHBFJJFWKWVELK-LURJTMIESA-N 1 0 165.258 0.029 50 0 in-vitro ACAARO CC[NH2+][C@@H](C)CS(=O)(=O)CC 62152188 167283659 /nfs/dbraw/zinc/28/36/59/167283659.db2.gz ONINZFLRQKPHGB-ZETCQYMHSA-N 1 0 179.285 0.419 50 0 in-vitro ACAARO CC[NH2+][C@@H](C)COC 19905038 167284640 /nfs/dbraw/zinc/28/46/40/167284640.db2.gz ZLDAYYMUMZNMCC-LURJTMIESA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CC[NH2+][C@@H](CC)CO 6411921 167286244 /nfs/dbraw/zinc/28/62/44/167286244.db2.gz BMTAVLCPOPFWKR-LURJTMIESA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC[NH2+][C@@H](CO)c1ccccn1 32914778 167288830 /nfs/dbraw/zinc/28/88/30/167288830.db2.gz NYNKKODFHUCYJC-VIFPVBQESA-N 1 0 166.224 0.725 50 0 ACAARO CC[NH2+][C@@H]1CCN(C)C1 37240268 167289327 /nfs/dbraw/zinc/28/93/27/167289327.db2.gz RPTGTAYSFGXFGV-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC[NH2+][C@@H]1CCCOC1 71011634 167289960 /nfs/dbraw/zinc/28/99/60/167289960.db2.gz WONUPOBVPBXZPK-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 ACAARO CC[NH2+][C@@H]1CCCNC1 43323615 167290060 /nfs/dbraw/zinc/29/00/60/167290060.db2.gz FUTMGJAGTIOOIF-SSDOTTSWSA-N 1 0 128.219 0.348 50 0 ACAARO CC[NH2+][C@@H]1CCCC[C@H]1O 19092682 167290607 /nfs/dbraw/zinc/29/06/07/167290607.db2.gz NIMUFNCQZMSSAG-HTQZYQBOSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO CC[NH2+][C@@H]1COC[C@H]1OCC 252536274 167290851 /nfs/dbraw/zinc/29/08/51/167290851.db2.gz 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167295980 /nfs/dbraw/zinc/29/59/80/167295980.db2.gz ONINZFLRQKPHGB-SSDOTTSWSA-N 1 0 179.285 0.419 50 0 in-vitro ACAARO CC[NH2+][C@H](C)CS(C)(=O)=O 52789036 167296200 /nfs/dbraw/zinc/29/62/00/167296200.db2.gz QHBFJJFWKWVELK-ZCFIWIBFSA-N 1 0 165.258 0.029 50 0 in-vitro ACAARO CC[NH2+][C@H](C)COC 19905039 167296494 /nfs/dbraw/zinc/29/64/94/167296494.db2.gz ZLDAYYMUMZNMCC-ZCFIWIBFSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CC[NH2+][C@H](C)CCO 19092121 167296643 /nfs/dbraw/zinc/29/66/43/167296643.db2.gz AXCSUIBUZBQBGT-ZCFIWIBFSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO CC[NH2+][C@H](C)CN(C)C 43816059 167297156 /nfs/dbraw/zinc/29/71/56/167297156.db2.gz JQURSUCXJUAFGZ-SSDOTTSWSA-N 1 0 130.235 0.546 50 0 in-vitro ACAARO CC[NH2+][C@H](CO)c1ccccn1 32914779 167298055 /nfs/dbraw/zinc/29/80/55/167298055.db2.gz NYNKKODFHUCYJC-SECBINFHSA-N 1 0 166.224 0.725 50 0 ACAARO CC[NH2+][C@H]1CCCOC1 71011637 167300549 /nfs/dbraw/zinc/30/05/49/167300549.db2.gz WONUPOBVPBXZPK-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 ACAARO CC[NH2+][C@H]1CCN(C(C)=O)C1 12359907 167301734 /nfs/dbraw/zinc/30/17/34/167301734.db2.gz GILRDSYIJNXDLB-QMMMGPOBSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO CC[NH2+][C@H]1CCCN(C)C1 40672308 167302631 /nfs/dbraw/zinc/30/26/31/167302631.db2.gz PMITTYJTJSCELB-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[NH2+][C@H]1CCN(C)C1 37240270 167302931 /nfs/dbraw/zinc/30/29/31/167302931.db2.gz RPTGTAYSFGXFGV-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC[NH2+][C@H]1CCOC1 70962357 167303763 /nfs/dbraw/zinc/30/37/63/167303763.db2.gz DWJJNIVNJZJFRB-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CCNc1cc2c(nn1)CC[NH2+]C2 68587334 167306246 /nfs/dbraw/zinc/30/62/46/167306246.db2.gz LBHRMKQRUZNCFD-UHFFFAOYSA-N 1 0 178.239 0.554 50 0 in-vitro ACAARO CCNc1cc(C[NH3+])ccn1 50423075 167306496 /nfs/dbraw/zinc/30/64/96/167306496.db2.gz YENOREWNIMNEIM-UHFFFAOYSA-N 1 0 151.213 0.972 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H](CO)C1 15635481 167209220 /nfs/dbraw/zinc/20/92/20/167209220.db2.gz UFFXQKBVALLYQW-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC[N@@H+]1CCC[C@H]1CNC(=O)NC 135892761 167209527 /nfs/dbraw/zinc/20/95/27/167209527.db2.gz SXIWPRRVNKTRHH-QMMMGPOBSA-N 1 0 185.271 0.400 50 0 ACAARO CCNc1nccc([C@@H]2CC[NH2+]C2)n1 63772362 167313166 /nfs/dbraw/zinc/31/31/66/167313166.db2.gz DIPVKVLCSRHYTC-MRVPVSSYSA-N 1 0 192.266 0.985 50 0 ACAARO CCNc1nc(NN)[nH+]c(NCC)n1 2023481 167314368 /nfs/dbraw/zinc/31/43/68/167314368.db2.gz BVGUQIRYCWKXNV-UHFFFAOYSA-N 1 0 197.246 0.021 50 0 ACAARO CCNc1[nH]cc[nH+]1 82163979 167314750 /nfs/dbraw/zinc/31/47/50/167314750.db2.gz KKKRLJYCDDWEMQ-UHFFFAOYSA-N 1 0 111.148 0.842 50 0 in-vitro ACAARO CCNc1nccc([C@H]2CC[NH2+]C2)n1 63772363 167314780 /nfs/dbraw/zinc/31/47/80/167314780.db2.gz DIPVKVLCSRHYTC-QMMMGPOBSA-N 1 0 192.266 0.985 50 0 ACAARO CCOC(=O)/C=C1/CC[NH2+]C1 42784358 167320065 /nfs/dbraw/zinc/32/00/65/167320065.db2.gz RGTFNXYRNPAZKE-ALCCZGGFSA-N 1 0 155.197 0.469 50 0 ACAARO CCOC(=O)/C=C/C[NH+](C)C 33975189 167320470 /nfs/dbraw/zinc/32/04/70/167320470.db2.gz NQGDOVGPZYTTCH-AATRIKPKSA-N 1 0 157.213 0.667 50 0 ACAARO CCOC(=O)/C=C/C[NH3+] 26896536 167321397 /nfs/dbraw/zinc/32/13/97/167321397.db2.gz NKUGJYBGZTYNFY-ONEGZZNKSA-N 1 0 129.159 0.064 50 0 ACAARO CCOC(=O)/C=C1/CCC[NH2+]C1 42784346 167321699 /nfs/dbraw/zinc/32/16/99/167321699.db2.gz YTYRQDPJLVARKM-VURMDHGXSA-N 1 0 169.224 0.859 50 0 in-vitro ACAARO CCOC(=O)/C=C/n1cc[nH+]c1N 19899183 167321870 /nfs/dbraw/zinc/32/18/70/167321870.db2.gz OYLAJRXWDLYQRI-HWKANZROSA-N 1 0 181.195 0.499 50 0 ACAARO CCOC(=O)/C=C\n1cc[nH+]c1N 4532427 167322088 /nfs/dbraw/zinc/32/20/88/167322088.db2.gz OYLAJRXWDLYQRI-HYXAFXHYSA-N 1 0 181.195 0.499 50 0 ACAARO CCOC(=O)/C=C1\CCC[NH2+]C1 72482140 167322239 /nfs/dbraw/zinc/32/22/39/167322239.db2.gz YTYRQDPJLVARKM-SOFGYWHQSA-N 1 0 169.224 0.859 50 0 ACAARO CCOC(=O)C1([NH3+])CCOCC1 37459832 167322663 /nfs/dbraw/zinc/32/26/63/167322663.db2.gz XYMJJESBEUZDJM-UHFFFAOYSA-N 1 0 173.212 0.057 50 0 in-vitro ACAARO CCOC(=O)C1([NH3+])CC=CC1 39057827 167322688 /nfs/dbraw/zinc/32/26/88/167322688.db2.gz JCZTVTXVLRXIFL-UHFFFAOYSA-N 1 0 155.197 0.597 50 0 ACAARO CCOC(=O)C1([NH3+])CCCC1 1700229 167323023 /nfs/dbraw/zinc/32/30/23/167323023.db2.gz NLLGKNYQDQBMFW-UHFFFAOYSA-N 1 0 157.213 0.821 50 0 in-vitro ACAARO CCOC(=O)C1(C[NH3+])CC1 21984804 167323168 /nfs/dbraw/zinc/32/31/68/167323168.db2.gz AYTOKAZVIPSHHI-UHFFFAOYSA-N 1 0 143.186 0.288 50 0 in-vitro ACAARO CCOC(=O)C1(C[NH3+])CCC1 39135269 167323266 /nfs/dbraw/zinc/32/32/66/167323266.db2.gz GPEFDMPXVMDHKY-UHFFFAOYSA-N 1 0 157.213 0.679 50 0 in-vitro ACAARO CCOC(=O)C(C)(C)[NH3+] 56960619 167323860 /nfs/dbraw/zinc/32/38/60/167323860.db2.gz DWLJKCGOCUODFL-UHFFFAOYSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO CCOC(=O)C(C)(C)C[NH3+] 1721747 167323966 /nfs/dbraw/zinc/32/39/66/167323966.db2.gz RYKWAKCJLTYPCV-UHFFFAOYSA-N 1 0 145.202 0.534 50 0 in-vitro ACAARO CCOC(=O)C1(F)CC[NH2+]CC1 42684237 167324533 /nfs/dbraw/zinc/32/45/33/167324533.db2.gz IRHZQIJIMBFMKC-UHFFFAOYSA-N 1 0 175.203 0.641 50 0 in-vitro ACAARO CCOC(=O)C1(C)CC[NH2+]CC1 39351813 167324833 /nfs/dbraw/zinc/32/48/33/167324833.db2.gz YWXSWDQLJWHKMW-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)C1([NH3+])CCSCC1 41048822 167325045 /nfs/dbraw/zinc/32/50/45/167325045.db2.gz VJPXHHVSQUQQGL-UHFFFAOYSA-N 1 0 189.280 0.774 50 0 in-vitro ACAARO CCOC(=O)C1([NH3+])CCC1 2548315 167325076 /nfs/dbraw/zinc/32/50/76/167325076.db2.gz SOJJLUOGEIHGRZ-UHFFFAOYSA-N 1 0 143.186 0.431 50 0 in-vitro ACAARO CCOC(=O)C1CCN(C(N)=[NH2+])CC1 43179099 167325687 /nfs/dbraw/zinc/32/56/87/167325687.db2.gz DBJXWJDGBJNKDL-UHFFFAOYSA-N 1 0 199.254 0.155 50 0 in-vitro ACAARO CCOC(=O)C1C[C@H]2C[NH2+]C[C@@H]2C1 95743045 167326162 /nfs/dbraw/zinc/32/61/62/167326162.db2.gz OTXFHRIJKRGBMY-IUCAKERBSA-N 1 0 183.251 0.795 50 0 ACAARO CCOC(=O)C1C[C@@H]2C[NH2+]C[C@H]2C1 95743046 167326268 /nfs/dbraw/zinc/32/62/68/167326268.db2.gz OTXFHRIJKRGBMY-RKDXNWHRSA-N 1 0 183.251 0.795 50 0 ACAARO CCOC(=O)C1CC[NH+](C)CC1 2504552 167326474 /nfs/dbraw/zinc/32/64/74/167326474.db2.gz JWXOOQCMGJBSML-UHFFFAOYSA-N 1 0 171.240 0.891 50 0 in-vitro ACAARO CCOC(=O)C1=CC[N@H+](C)CC1 52606917 167326673 /nfs/dbraw/zinc/32/66/73/167326673.db2.gz GKMQAGZRPQBLHG-UHFFFAOYSA-N 1 0 169.224 0.811 50 0 ACAARO CCOC(=O)C1=CCC[NH2+]C1 3631062 167326769 /nfs/dbraw/zinc/32/67/69/167326769.db2.gz DBJSKLKTQJMDTJ-UHFFFAOYSA-N 1 0 155.197 0.469 50 0 ACAARO CCOC(=O)C1CC[NH2+]CC1 3860448 167327451 /nfs/dbraw/zinc/32/74/51/167327451.db2.gz RUJPPJYDHHAEEK-UHFFFAOYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO CCOC(=O)C1=CCC[N@H+](C)C1 31555018 167327808 /nfs/dbraw/zinc/32/78/08/167327808.db2.gz UNARQANIGOBIHM-UHFFFAOYSA-N 1 0 169.224 0.811 50 0 endogenous,in-man ACAARO CCOC(=O)C=C1CC[NH2+]CC1 42689551 167328351 /nfs/dbraw/zinc/32/83/51/167328351.db2.gz VAYPMPDBKBYGSQ-UHFFFAOYSA-N 1 0 169.224 0.859 50 0 in-vitro ACAARO CCOC(=O)CC1([NH3+])CC1 104599232 167328961 /nfs/dbraw/zinc/32/89/61/167328961.db2.gz JRDMECKJKSZYOQ-UHFFFAOYSA-N 1 0 143.186 0.431 50 0 in-vitro ACAARO CCOC(=O)CC(C)(C)C[NH3+] 17673492 167329176 /nfs/dbraw/zinc/32/91/76/167329176.db2.gz SZJAWKCNGDBTQR-UHFFFAOYSA-N 1 0 159.229 0.925 50 0 in-vitro ACAARO CCOC(=O)CC[C@@H](C)[NH3+] 1725026 167329181 /nfs/dbraw/zinc/32/91/81/167329181.db2.gz GLFMNINNXRUOQV-ZCFIWIBFSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCOC(=O)CC1CC[NH2+]CC1 2578113 167329493 /nfs/dbraw/zinc/32/94/93/167329493.db2.gz IHSUFLCKRIHFGY-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)CC[NH2+]C1CC1 36667786 167329556 /nfs/dbraw/zinc/32/95/56/167329556.db2.gz ZRPBEAVKOMELBB-UHFFFAOYSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CCOC(=O)CC[NH2+]CC1CC1 34553064 167329688 /nfs/dbraw/zinc/32/96/88/167329688.db2.gz LJZXBBGJVOZLGH-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)CCCC[NH3+] 12359819 167329819 /nfs/dbraw/zinc/32/98/19/167329819.db2.gz YMYLIDVSLIIAPI-UHFFFAOYSA-N 1 0 145.202 0.679 50 0 in-vitro ACAARO CCOC(=O)CC[NH+](C)C 1698907 167329861 /nfs/dbraw/zinc/32/98/61/167329861.db2.gz IZMJWGJGVGRWBW-UHFFFAOYSA-N 1 0 145.202 0.501 50 0 in-vitro ACAARO CCOC(=O)CC[NH+]1CCC1 389483 167330296 /nfs/dbraw/zinc/33/02/96/167330296.db2.gz JHEBCRMYKMBVBX-UHFFFAOYSA-N 1 0 157.213 0.645 50 0 ACAARO CCOC(=O)CC[NH2+]C 36671067 167330321 /nfs/dbraw/zinc/33/03/21/167330321.db2.gz XVIJMHJTEHBUJI-UHFFFAOYSA-N 1 0 131.175 0.159 50 0 in-vitro ACAARO CCOC(=O)CC[NH2+]CCOC 19736935 167331121 /nfs/dbraw/zinc/33/11/21/167331121.db2.gz YRZBCDDHSOESLU-UHFFFAOYSA-N 1 0 175.228 0.176 50 0 ACAARO CCOC(=O)CC(C)(C)[NH3+] 5796051 167331160 /nfs/dbraw/zinc/33/11/60/167331160.db2.gz CINTWGJQDJSXPJ-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCOC(=O)CC(C)(C)[NH2+]C 17673590 167331223 /nfs/dbraw/zinc/33/12/23/167331223.db2.gz FDWGVTSFQVTKFB-UHFFFAOYSA-N 1 0 159.229 0.938 50 0 in-vitro ACAARO CCOC(=O)CC[NH2+]C(C)C 15443525 167331301 /nfs/dbraw/zinc/33/13/01/167331301.db2.gz BGEHOKVPALSAIX-UHFFFAOYSA-N 1 0 159.229 0.938 50 0 in-vitro ACAARO CCOC(=O)CCC(N)=[NH2+] 40539429 167331333 /nfs/dbraw/zinc/33/13/33/167331333.db2.gz WFLQKKAOJXSPIK-UHFFFAOYSA-N 1 0 144.174 0.266 50 0 ACAARO CCOC(=O)CCN(C)CC[NH2+]C 69800783 167331422 /nfs/dbraw/zinc/33/14/22/167331422.db2.gz ZVOKGUXZYPGFLI-UHFFFAOYSA-N 1 0 188.271 0.091 50 0 ACAARO CCOC(=O)CCC[NH3+] 1671851 167331497 /nfs/dbraw/zinc/33/14/97/167331497.db2.gz MAFQLJCYFMKEJJ-UHFFFAOYSA-N 1 0 131.175 0.288 50 0 in-vitro ACAARO CCOC(=O)CC[NH2+]CCCOC 19736862 167331532 /nfs/dbraw/zinc/33/15/32/167331532.db2.gz XTIULWPWCRKKBD-UHFFFAOYSA-N 1 0 189.255 0.566 50 0 ACAARO CCOC(=O)CCC[NH+](C)C 1671852 167331537 /nfs/dbraw/zinc/33/15/37/167331537.db2.gz FNOBLETXVSZOGS-UHFFFAOYSA-N 1 0 159.229 0.891 50 0 ACAARO CCOC(=O)CC[C@H](C)[NH3+] 6385628 167332803 /nfs/dbraw/zinc/33/28/03/167332803.db2.gz GLFMNINNXRUOQV-LURJTMIESA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CCOC(=O)CO[C@@H]1CCC[NH2+]C1 86005658 167334999 /nfs/dbraw/zinc/33/49/99/167334999.db2.gz IGNMURXXCRPMJM-MRVPVSSYSA-N 1 0 187.239 0.318 50 0 ACAARO CCOC(=O)COC1CC[NH2+]CC1 77252310 167335478 /nfs/dbraw/zinc/33/54/78/167335478.db2.gz VDKVPBCMAIZLLR-UHFFFAOYSA-N 1 0 187.239 0.318 50 0 in-vitro ACAARO CCOC(=O)CO[C@H]1CCC[NH2+]C1 86005662 167335618 /nfs/dbraw/zinc/33/56/18/167335618.db2.gz IGNMURXXCRPMJM-QMMMGPOBSA-N 1 0 187.239 0.318 50 0 ACAARO CCOC(=O)C[C@@H]1CC[NH2+]C1 34548373 167336653 /nfs/dbraw/zinc/33/66/53/167336653.db2.gz MNTGUDCHRPBCJG-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 ACAARO CCOC(=O)C[C@H]1CCC[NH2+]1 5829570 167336855 /nfs/dbraw/zinc/33/68/55/167336855.db2.gz MYUVDBULNNBWOG-SSDOTTSWSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CCOC(=O)C[C@H]([NH3+])C(C)C 2511918 167336911 /nfs/dbraw/zinc/33/69/11/167336911.db2.gz UEXXWHOBPJEQJJ-ZETCQYMHSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CCOC(=O)C[C@H]1CCC[NH2+]C1 4270068 167336922 /nfs/dbraw/zinc/33/69/22/167336922.db2.gz RJFIWCWTENIBKC-MRVPVSSYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)C[C@H]1CC[NH2+]C1 34548375 167336969 /nfs/dbraw/zinc/33/69/69/167336969.db2.gz MNTGUDCHRPBCJG-SSDOTTSWSA-N 1 0 157.213 0.549 50 0 ACAARO CCOC(=O)C[C@H](C)[NH3+] 5020034 167336983 /nfs/dbraw/zinc/33/69/83/167336983.db2.gz HHIOOBJZIASBFF-YFKPBYRVSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO CCOC(=O)C[C@H]([NH3+])C1CC1 26895759 167337420 /nfs/dbraw/zinc/33/74/20/167337420.db2.gz DARPOOYXGSBFGN-ZETCQYMHSA-N 1 0 157.213 0.677 50 0 ACAARO CCOC(=O)C[C@H](C)[NH+](C)C 13347108 167337458 /nfs/dbraw/zinc/33/74/58/167337458.db2.gz JKSXUJFHXQYFMR-ZETCQYMHSA-N 1 0 159.229 0.890 50 0 in-vitro ACAARO CCOC(=O)C[C@H]([NH3+])CC 36437019 167337524 /nfs/dbraw/zinc/33/75/24/167337524.db2.gz OKIYALVMFMZSLV-ZCFIWIBFSA-N 1 0 145.202 0.677 50 0 ACAARO CCOC(=O)C[C@H](C)[NH2+]C 34925152 167337761 /nfs/dbraw/zinc/33/77/61/167337761.db2.gz BCDWUXYUMDIPLB-LURJTMIESA-N 1 0 145.202 0.548 50 0 in-vitro ACAARO CCOC(=O)C[C@@H]1CCC[NH2+]C1 2529851 167337763 /nfs/dbraw/zinc/33/77/63/167337763.db2.gz RJFIWCWTENIBKC-QMMMGPOBSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)C[C@H](C)C[NH3+] 80574785 167337797 /nfs/dbraw/zinc/33/77/97/167337797.db2.gz WDSJSQKWRWJLCD-LURJTMIESA-N 1 0 145.202 0.534 50 0 in-vitro ACAARO CCOC(=O)N1CCC([NH3+])CC1 3860144 167339069 /nfs/dbraw/zinc/33/90/69/167339069.db2.gz GQQQULCEHJQUJT-UHFFFAOYSA-N 1 0 172.228 0.566 50 0 in-vitro ACAARO CCOC(=O)N1CCC([NH2+]C)CC1 12359626 167339079 /nfs/dbraw/zinc/33/90/79/167339079.db2.gz QKPLFXBOWHKIQH-UHFFFAOYSA-N 1 0 186.255 0.827 50 0 in-vitro ACAARO CCOC(=O)N(C)C1CC[NH2+]CC1 36283666 167339675 /nfs/dbraw/zinc/33/96/75/167339675.db2.gz QIAQJLFLGMPNAB-UHFFFAOYSA-N 1 0 186.255 0.827 50 0 in-vitro ACAARO CCOC(=O)NCCC[NH+](C)C 1690982 167340947 /nfs/dbraw/zinc/34/09/47/167340947.db2.gz KYFYKXCFZWLCAM-UHFFFAOYSA-N 1 0 174.244 0.684 50 0 ACAARO CCOC(=O)N1CC[C@]2(CC[NH2+]C2)C1 33426569 167341664 /nfs/dbraw/zinc/34/16/64/167341664.db2.gz XTKLRALDNRTFCM-JTQLQIEISA-N 1 0 198.266 0.828 50 0 ACAARO CCOC(=O)N1CCC[NH2+]CC1 19386449 167342205 /nfs/dbraw/zinc/34/22/05/167342205.db2.gz CYXOGUSFYRBSJU-UHFFFAOYSA-N 1 0 172.228 0.438 50 0 in-vitro ACAARO CCOC(=O)N1CC[NH2+]CC1 155007 167342215 /nfs/dbraw/zinc/34/22/15/167342215.db2.gz LNOQURRKNJKKBU-UHFFFAOYSA-N 1 0 158.201 0.048 50 0 ACAARO CCOC(=O)N1C[C@H]2CC[NH2+][C@H]2C1 39125853 167342374 /nfs/dbraw/zinc/34/23/74/167342374.db2.gz SULDDMOQJXWUNO-SFYZADRCSA-N 1 0 184.239 0.437 50 0 ACAARO CCOC(=O)NC1CC[NH2+]CC1 2518294 167342593 /nfs/dbraw/zinc/34/25/93/167342593.db2.gz JIRHHWNUZXRDHN-UHFFFAOYSA-N 1 0 172.228 0.485 50 0 in-vitro ACAARO CCOC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 85282908 167342656 /nfs/dbraw/zinc/34/26/56/167342656.db2.gz KTBMEKRSICOQBG-YUMQZZPRSA-N 1 0 184.239 0.294 50 0 ACAARO CCOC(=O)N1CC[C@H]([NH3+])C1 34119444 167343276 /nfs/dbraw/zinc/34/32/76/167343276.db2.gz AYRKWHRVFHIRPI-LURJTMIESA-N 1 0 158.201 0.176 50 0 in-vitro ACAARO CCOC(=O)N1CC[C@@H]([NH3+])C1 34119445 167343352 /nfs/dbraw/zinc/34/33/52/167343352.db2.gz AYRKWHRVFHIRPI-ZCFIWIBFSA-N 1 0 158.201 0.176 50 0 in-vitro ACAARO CCOC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 85282906 167343474 /nfs/dbraw/zinc/34/34/74/167343474.db2.gz KTBMEKRSICOQBG-HTQZYQBOSA-N 1 0 184.239 0.294 50 0 ACAARO CCOC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 33426568 167343503 /nfs/dbraw/zinc/34/35/03/167343503.db2.gz XTKLRALDNRTFCM-SNVBAGLBSA-N 1 0 198.266 0.828 50 0 ACAARO CCOC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 85282904 167343512 /nfs/dbraw/zinc/34/35/12/167343512.db2.gz KTBMEKRSICOQBG-OCAPTIKFSA-N 1 0 184.239 0.294 50 0 ACAARO CCOC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 36288212 167343606 /nfs/dbraw/zinc/34/36/06/167343606.db2.gz SULDDMOQJXWUNO-JGVFFNPUSA-N 1 0 184.239 0.437 50 0 ACAARO CCOC(=O)[C@@H](C)C[NH2+]C 43612408 167343874 /nfs/dbraw/zinc/34/38/74/167343874.db2.gz OBUSVPFFSXYBDT-LURJTMIESA-N 1 0 145.202 0.405 50 0 in-vitro ACAARO CCOC(=O)[C@@H](C)C[NH3+] 13355647 167343945 /nfs/dbraw/zinc/34/39/45/167343945.db2.gz XBEVGFLLWVWHCF-YFKPBYRVSA-N 1 0 131.175 0.144 50 0 in-vitro ACAARO CCOC(=O)[C@@H](C)C[NH2+]C1CC1 43612411 167344298 /nfs/dbraw/zinc/34/42/98/167344298.db2.gz GQPJTQFHFDIHDF-ZETCQYMHSA-N 1 0 171.240 0.938 50 0 in-vitro ACAARO CCOC(=O)N[C@H]1CCC[NH2+]C1 19388059 167345405 /nfs/dbraw/zinc/34/54/05/167345405.db2.gz NBLUTJMVAOOOIZ-ZETCQYMHSA-N 1 0 172.228 0.485 50 0 in-vitro ACAARO CCOC(=O)N[C@@H]1CCC[NH2+]C1 19388056 167345515 /nfs/dbraw/zinc/34/55/15/167345515.db2.gz NBLUTJMVAOOOIZ-SSDOTTSWSA-N 1 0 172.228 0.485 50 0 in-vitro ACAARO CCOC(=O)[C@@H](N)CCCC[NH3+] 1631425 167346583 /nfs/dbraw/zinc/34/65/83/167346583.db2.gz CZEPJJXZASVXQF-ZETCQYMHSA-N 1 0 174.244 0.006 50 0 in-vitro ACAARO CCOC(=O)[C@@H](C)[C@@H](C)[NH3+] 38559108 167346697 /nfs/dbraw/zinc/34/66/97/167346697.db2.gz FMLDWVZXTNBACN-NTSWFWBYSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CCOC(=O)[C@@H]([NH3+])C(C)C 162644 167346740 /nfs/dbraw/zinc/34/67/40/167346740.db2.gz BQIVJVAZDJHDJF-LURJTMIESA-N 1 0 145.202 0.533 50 0 biogenic,in-vitro ACAARO CCOC(=O)[C@@H](F)C1C[NH2+]C1 238855638 167347138 /nfs/dbraw/zinc/34/71/38/167347138.db2.gz SHSWYKLRJCDXCD-LURJTMIESA-N 1 0 161.176 0.107 50 0 in-vitro ACAARO CCOC(=O)[C@@H](CC)C[NH3+] 78724372 167347886 /nfs/dbraw/zinc/34/78/86/167347886.db2.gz XDXLAPISJVHRKE-LURJTMIESA-N 1 0 145.202 0.534 50 0 ACAARO CCOC(=O)[C@@H]([NH3+])CC 13346968 167348086 /nfs/dbraw/zinc/34/80/86/167348086.db2.gz KXSBWGSJFSEIED-YFKPBYRVSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO CCOC(=O)[C@@H]([NH3+])[C@@H](C)CC 5925317 167348320 /nfs/dbraw/zinc/34/83/20/167348320.db2.gz ICPWNTVICOHCML-BQBZGAKWSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CCOC(=O)[C@@H]([NH3+])C1CCOCC1 95634790 167348648 /nfs/dbraw/zinc/34/86/48/167348648.db2.gz UDQUOJITDLECBI-QMMMGPOBSA-N 1 0 187.239 0.303 50 0 in-vitro ACAARO CCOC(=O)[C@@H](C)[C@H](C)[NH3+] 38559110 167349711 /nfs/dbraw/zinc/34/97/11/167349711.db2.gz FMLDWVZXTNBACN-WDSKDSINSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CCOC(=O)[C@@H]([NH3+])C1CC1 21408125 167349843 /nfs/dbraw/zinc/34/98/43/167349843.db2.gz BESPXVHLGXOILQ-LURJTMIESA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO CCOC(=O)[C@@H]([NH3+])[C@H](C)CC 5922563 167350014 /nfs/dbraw/zinc/35/00/14/167350014.db2.gz ICPWNTVICOHCML-RQJHMYQMSA-N 1 0 159.229 0.923 50 0 ACAARO CCOC(=O)[C@@H]1CCC[NH2+][C@H]1C 34119834 167350092 /nfs/dbraw/zinc/35/00/92/167350092.db2.gz QRSUHEMVICBCFP-JGVFFNPUSA-N 1 0 171.240 0.938 50 0 ACAARO CCOC(=O)[C@@H]1CCCC[NH2+]C1 66351475 167350187 /nfs/dbraw/zinc/35/01/87/167350187.db2.gz MHDRKTAHSNYQII-MRVPVSSYSA-N 1 0 171.240 0.939 50 0 ACAARO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1C 34119832 167350491 /nfs/dbraw/zinc/35/04/91/167350491.db2.gz QRSUHEMVICBCFP-HTQZYQBOSA-N 1 0 171.240 0.938 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC=CC[C@H]1[NH3+] 4262535 167351503 /nfs/dbraw/zinc/35/15/03/167351503.db2.gz PTXUIEXYXGXMEU-HTQZYQBOSA-N 1 0 169.224 0.843 50 0 ACAARO CCOC(=O)[C@@H]1CCC[C@H]1[NH3+] 34118595 167351551 /nfs/dbraw/zinc/35/15/51/167351551.db2.gz AGCJYTRMZBPEEO-RNFRBKRXSA-N 1 0 157.213 0.677 50 0 ACAARO CCOC(=O)[C@@H]1CCC[NH2+]1 2556650 167351848 /nfs/dbraw/zinc/35/18/48/167351848.db2.gz QPNJHVDIRZNKOX-LURJTMIESA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CCC[C@@H]1[NH3+] 2570069 167352021 /nfs/dbraw/zinc/35/20/21/167352021.db2.gz AGCJYTRMZBPEEO-RQJHMYQMSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC12CC[NH2+]CC2 115751027 167352168 /nfs/dbraw/zinc/35/21/68/167352168.db2.gz MSYHIJNSNXQIQS-QMMMGPOBSA-N 1 0 183.251 0.939 50 0 ACAARO CCOC(=O)[C@@H]1CCC[N@H+](C)C1 155206 167352353 /nfs/dbraw/zinc/35/23/53/167352353.db2.gz VFJJNMLPRDRTCO-MRVPVSSYSA-N 1 0 171.240 0.891 50 0 biogenic,in-vitro ACAARO CCOC(=O)[C@@H]1CCC[NH2+]C1 57099 167352385 /nfs/dbraw/zinc/35/23/85/167352385.db2.gz XIWBSOUNZWSFKU-SSDOTTSWSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[N@H+](C)C1 37758661 167352724 /nfs/dbraw/zinc/35/27/24/167352724.db2.gz DHWKOWPDAGMVOD-SSDOTTSWSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[C@@H]([NH3+])C1 78210734 167353395 /nfs/dbraw/zinc/35/33/95/167353395.db2.gz GBSHHLOUZFKHSC-RNFRBKRXSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C 40443079 167353408 /nfs/dbraw/zinc/35/34/08/167353408.db2.gz TVTNJIINRHALKA-RNFRBKRXSA-N 1 0 157.213 0.405 50 0 ACAARO CCOC(=O)[C@@H]1CC[C@@H]([NH3+])CO1 95743260 167353428 /nfs/dbraw/zinc/35/34/28/167353428.db2.gz DPHUSCGJQGFYGW-RQJHMYQMSA-N 1 0 173.212 0.056 50 0 ACAARO CCOC(=O)[C@@H]1CC[C@H]([NH3+])CO1 95743258 167353437 /nfs/dbraw/zinc/35/34/37/167353437.db2.gz DPHUSCGJQGFYGW-BQBZGAKWSA-N 1 0 173.212 0.056 50 0 ACAARO CCOC(=O)[C@@H]1C[NH2+]CCS1 90470899 167353485 /nfs/dbraw/zinc/35/34/85/167353485.db2.gz VJRQGYGWAYZJHI-LURJTMIESA-N 1 0 175.253 0.255 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1C[C@@H](C)C[NH2+]1 4203178 167353604 /nfs/dbraw/zinc/35/36/04/167353604.db2.gz DIBKCNKVDZNMDH-RQJHMYQMSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO CCOC(=O)C1=C(O)CC[NH2+]CC1 79017107 167353649 /nfs/dbraw/zinc/35/36/49/167353649.db2.gz NUYVIGAOMRNWRB-SSDOTTSWSA-N 1 0 185.223 0.118 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CN(C)CCC1=O 19938813 167353809 /nfs/dbraw/zinc/35/38/09/167353809.db2.gz XZTPUNHHNWXMLJ-SSDOTTSWSA-N 1 0 185.223 0.070 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[NH2+]C[C@@H]1C 16697914 167353825 /nfs/dbraw/zinc/35/38/25/167353825.db2.gz PXBYFCRSEFPAKW-JGVFFNPUSA-N 1 0 171.240 0.795 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[C@@H](O)[C@@H]([NH3+])C1 95743467 167354419 /nfs/dbraw/zinc/35/44/19/167354419.db2.gz PIJOTEIYZWNRBX-GJMOJQLCSA-N 1 0 187.239 0.038 50 0 ACAARO CCOC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 101328666 167354843 /nfs/dbraw/zinc/35/48/43/167354843.db2.gz PZYIEJIXPMWKPS-XLPZGREQSA-N 1 0 169.224 0.690 50 0 ACAARO CCOC(=O)[C@@H]1CC[NH2+]C1 14684378 167354850 /nfs/dbraw/zinc/35/48/50/167354850.db2.gz MPEUOPWWEODARH-ZCFIWIBFSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[C@H](C)[NH2+]1 14593207 167354883 /nfs/dbraw/zinc/35/48/83/167354883.db2.gz SIHWTRLYXYEMIA-BQBZGAKWSA-N 1 0 157.213 0.690 50 0 ACAARO CCOC(=O)[C@@H]1CC[NH2+]C[C@H]1C 16697918 167354908 /nfs/dbraw/zinc/35/49/08/167354908.db2.gz PXBYFCRSEFPAKW-HTQZYQBOSA-N 1 0 171.240 0.795 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[C@H]([NH3+])C1 78210732 167355152 /nfs/dbraw/zinc/35/51/52/167355152.db2.gz GBSHHLOUZFKHSC-RQJHMYQMSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH3+])C1 95743213 167355198 /nfs/dbraw/zinc/35/51/98/167355198.db2.gz PIJOTEIYZWNRBX-CSMHCCOUSA-N 1 0 187.239 0.038 50 0 ACAARO CCOC(=O)[C@@H]1CN(CC)CCC1=O 16010437 167355224 /nfs/dbraw/zinc/35/52/24/167355224.db2.gz ZKACXIUSAAGGDH-MRVPVSSYSA-N 1 0 199.250 0.460 50 0 ACAARO CCOC(=O)[C@@](C)([NH3+])C1CC1 36947147 167355663 /nfs/dbraw/zinc/35/56/63/167355663.db2.gz QBXWQCIZCQXRKX-QMMMGPOBSA-N 1 0 157.213 0.677 50 0 biogenic ACAARO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1[NH3+] 32098933 167356006 /nfs/dbraw/zinc/35/60/06/167356006.db2.gz UIFFSCXLBNDAFP-KDXUFGMBSA-N 1 0 183.251 0.923 50 0 ACAARO CCOC(=O)[C@]1(C)C[C@H]([NH3+])C1 103536690 167356274 /nfs/dbraw/zinc/35/62/74/167356274.db2.gz NKIDITHWVZAHFD-FKQCQYRASA-N 1 0 157.213 0.677 50 0 ACAARO CCOC(=O)[C@@]12C[NH2+]C[C@@H]1C2 95707447 167356285 /nfs/dbraw/zinc/35/62/85/167356285.db2.gz KYOYTSMQIIGIRI-XPUUQOCRSA-N 1 0 155.197 0.159 50 0 ACAARO CCOC(=O)[C@@]1(C)CCC[NH2+]C1 21987547 167356327 /nfs/dbraw/zinc/35/63/27/167356327.db2.gz LNANFKKPVLUIBX-VIFPVBQESA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)[C@H](C)C[NH2+]C1CC1 43612412 167356432 /nfs/dbraw/zinc/35/64/32/167356432.db2.gz GQPJTQFHFDIHDF-SSDOTTSWSA-N 1 0 171.240 0.938 50 0 in-vitro ACAARO CCOC(=O)[C@H](C)C[NH2+]C 43612410 167356511 /nfs/dbraw/zinc/35/65/11/167356511.db2.gz OBUSVPFFSXYBDT-ZCFIWIBFSA-N 1 0 145.202 0.405 50 0 in-vitro ACAARO CCOC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 100238625 167356677 /nfs/dbraw/zinc/35/66/77/167356677.db2.gz LLYQBDZAXNIXQC-ZMONIFLSSA-N 1 0 155.197 0.015 50 0 in-vitro ACAARO CCOC(=O)[C@H](C)C[NH3+] 2511920 167356711 /nfs/dbraw/zinc/35/67/11/167356711.db2.gz XBEVGFLLWVWHCF-RXMQYKEDSA-N 1 0 131.175 0.144 50 0 in-vitro ACAARO CCOC(=O)[C@@]1(O)C[NH+]2CCC1CC2 392755 167356891 /nfs/dbraw/zinc/35/68/91/167356891.db2.gz FBZKUNAGFJRJJT-SNVBAGLBSA-N 1 0 199.250 0.006 50 0 ACAARO CCOC(=O)[C@@]1(C)CC[NH2+]C1 62919846 167357024 /nfs/dbraw/zinc/35/70/24/167357024.db2.gz QHUUMIBNWDSADG-QMMMGPOBSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO CCOC(=O)[C@@](C)([NH3+])C(C)C 52883742 167357237 /nfs/dbraw/zinc/35/72/37/167357237.db2.gz QOGBMWLDGSUFON-QMMMGPOBSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CCOC(=O)[C@]1(C)C[C@@H]([NH3+])C1 103538297 167357349 /nfs/dbraw/zinc/35/73/49/167357349.db2.gz NKIDITHWVZAHFD-WRXNHJIOSA-N 1 0 157.213 0.677 50 0 ACAARO CCOC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1[NH3+] 32099065 167357645 /nfs/dbraw/zinc/35/76/45/167357645.db2.gz TZHZZNUBQDLQHZ-CWKFCGSDSA-N 1 0 185.223 0.054 50 0 ACAARO CCOC(=O)[C@@]1(C)CCC[NH2+]1 59512050 167357656 /nfs/dbraw/zinc/35/76/56/167357656.db2.gz GFZALZKFOASWKW-MRVPVSSYSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CCOC(=O)[C@H]([NH3+])C1CC1 21408129 167358432 /nfs/dbraw/zinc/35/84/32/167358432.db2.gz BESPXVHLGXOILQ-ZCFIWIBFSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO CCOC(=O)[C@H]([NH3+])[C@H](C)CC 24699442 167358500 /nfs/dbraw/zinc/35/85/00/167358500.db2.gz ICPWNTVICOHCML-RNFRBKRXSA-N 1 0 159.229 0.923 50 0 ACAARO CCOC(=O)[C@H]([NH3+])CC 13346971 167358669 /nfs/dbraw/zinc/35/86/69/167358669.db2.gz KXSBWGSJFSEIED-RXMQYKEDSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO CCOC(=O)[C@H]([NH3+])[C@@H](C)CC 24699439 167358929 /nfs/dbraw/zinc/35/89/29/167358929.db2.gz ICPWNTVICOHCML-NKWVEPMBSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CCOC(=O)[C@H](C)[C@H](C)[NH3+] 38559111 167358948 /nfs/dbraw/zinc/35/89/48/167358948.db2.gz FMLDWVZXTNBACN-RITPCOANSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CCOC(=O)[C@H]([NH3+])C1CCOCC1 95634789 167358953 /nfs/dbraw/zinc/35/89/53/167358953.db2.gz UDQUOJITDLECBI-MRVPVSSYSA-N 1 0 187.239 0.303 50 0 in-vitro ACAARO CCOC(=O)[C@H]([NH3+])C(C)C 407036 167359184 /nfs/dbraw/zinc/35/91/84/167359184.db2.gz BQIVJVAZDJHDJF-ZCFIWIBFSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CCOC(=O)[C@H](C)[C@@H](C)[NH3+] 38559109 167359626 /nfs/dbraw/zinc/35/96/26/167359626.db2.gz FMLDWVZXTNBACN-PHDIDXHHSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO CCOC(=O)[C@H](CC)C[NH3+] 78724374 167360088 /nfs/dbraw/zinc/36/00/88/167360088.db2.gz XDXLAPISJVHRKE-ZCFIWIBFSA-N 1 0 145.202 0.534 50 0 ACAARO CCOC(=O)[C@H](F)C1C[NH2+]C1 238855639 167360093 /nfs/dbraw/zinc/36/00/93/167360093.db2.gz SHSWYKLRJCDXCD-ZCFIWIBFSA-N 1 0 161.176 0.107 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[NH2+]C[C@@H]1C 16697916 167360628 /nfs/dbraw/zinc/36/06/28/167360628.db2.gz PXBYFCRSEFPAKW-YUMQZZPRSA-N 1 0 171.240 0.795 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[C@@H]([NH3+])CO1 95743261 167360946 /nfs/dbraw/zinc/36/09/46/167360946.db2.gz DPHUSCGJQGFYGW-RNFRBKRXSA-N 1 0 173.212 0.056 50 0 ACAARO CCOC(=O)[C@H]1CC12CC[NH2+]CC2 115751029 167360961 /nfs/dbraw/zinc/36/09/61/167360961.db2.gz MSYHIJNSNXQIQS-MRVPVSSYSA-N 1 0 183.251 0.939 50 0 ACAARO CCOC(=O)[C@H]1CCC[NH2+][C@H]1C 34119835 167361142 /nfs/dbraw/zinc/36/11/42/167361142.db2.gz QRSUHEMVICBCFP-YUMQZZPRSA-N 1 0 171.240 0.938 50 0 ACAARO CCOC(=O)[C@H]1CCCC[NH2+]C1 66351476 167361155 /nfs/dbraw/zinc/36/11/55/167361155.db2.gz MHDRKTAHSNYQII-QMMMGPOBSA-N 1 0 171.240 0.939 50 0 ACAARO CCOC(=O)[C@H]1CCC[C@@H]1[NH3+] 34164602 167361264 /nfs/dbraw/zinc/36/12/64/167361264.db2.gz AGCJYTRMZBPEEO-BQBZGAKWSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[C@@H]([NH3+])C1 78210735 167361271 /nfs/dbraw/zinc/36/12/71/167361271.db2.gz GBSHHLOUZFKHSC-NKWVEPMBSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CCC[NH2+]C1 57098 167361330 /nfs/dbraw/zinc/36/13/30/167361330.db2.gz XIWBSOUNZWSFKU-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO CCOC(=O)C1=C(O)CC[NH2+]CC1 79017111 167361407 /nfs/dbraw/zinc/36/14/07/167361407.db2.gz NUYVIGAOMRNWRB-ZETCQYMHSA-N 1 0 185.223 0.118 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CCC[C@H]1[NH3+] 34164603 167361472 /nfs/dbraw/zinc/36/14/72/167361472.db2.gz AGCJYTRMZBPEEO-NKWVEPMBSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CCC[NH2+]1 2556651 167361703 /nfs/dbraw/zinc/36/17/03/167361703.db2.gz QPNJHVDIRZNKOX-ZCFIWIBFSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[NH2+]C1 14684379 167361750 /nfs/dbraw/zinc/36/17/50/167361750.db2.gz MPEUOPWWEODARH-LURJTMIESA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[NH2+]C[C@H]1C 16697920 167361954 /nfs/dbraw/zinc/36/19/54/167361954.db2.gz PXBYFCRSEFPAKW-SFYZADRCSA-N 1 0 171.240 0.795 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CC[C@@H](O)[C@H]([NH3+])C1 95743239 167362008 /nfs/dbraw/zinc/36/20/08/167362008.db2.gz PIJOTEIYZWNRBX-XLPZGREQSA-N 1 0 187.239 0.038 50 0 ACAARO CCOC(=O)[C@H]1CC[N@H+](C)C1 37758662 167362126 /nfs/dbraw/zinc/36/21/26/167362126.db2.gz DHWKOWPDAGMVOD-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CCC[N@H+](C)C1 155204 167362291 /nfs/dbraw/zinc/36/22/91/167362291.db2.gz VFJJNMLPRDRTCO-QMMMGPOBSA-N 1 0 171.240 0.891 50 0 in-vitro ACAARO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1C 34119833 167362451 /nfs/dbraw/zinc/36/24/51/167362451.db2.gz QRSUHEMVICBCFP-SFYZADRCSA-N 1 0 171.240 0.938 50 0 ACAARO CCOC(=O)[C@H]1[NH2+]C[C@@H]2CCC[C@H]12 40435119 167362691 /nfs/dbraw/zinc/36/26/91/167362691.db2.gz BFZUEHILBXRWGT-CIUDSAMLSA-N 1 0 183.251 0.938 50 0 in-vitro ACAARO CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH3+] 43771856 167363073 /nfs/dbraw/zinc/36/30/73/167363073.db2.gz UIFFSCXLBNDAFP-RYPBNFRJSA-N 1 0 183.251 0.923 50 0 ACAARO CCOC(=O)[C@H]1CC[C@H]([NH3+])CO1 95743259 167363148 /nfs/dbraw/zinc/36/31/48/167363148.db2.gz DPHUSCGJQGFYGW-NKWVEPMBSA-N 1 0 173.212 0.056 50 0 ACAARO CCOC(=O)[C@H]1C[NH2+]CCS1 90470900 167363455 /nfs/dbraw/zinc/36/34/55/167363455.db2.gz VJRQGYGWAYZJHI-ZCFIWIBFSA-N 1 0 175.253 0.255 50 0 ACAARO CCOC(=O)[C@H]1C[C@H]([NH3+])C1 100453302 167363460 /nfs/dbraw/zinc/36/34/60/167363460.db2.gz RLWYQPWCTNGHEF-OLQVQODUSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO CCOC(=O)[C@](C)([NH3+])C1CC1 36947146 167363672 /nfs/dbraw/zinc/36/36/72/167363672.db2.gz QBXWQCIZCQXRKX-MRVPVSSYSA-N 1 0 157.213 0.677 50 0 biogenic ACAARO CCOC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1[NH3+] 2516889 167364244 /nfs/dbraw/zinc/36/42/44/167364244.db2.gz SMNRHCYSKKEJLS-UYXSQOIJSA-N 1 0 181.235 0.699 50 0 ACAARO CCOC(=O)[C@](C)([NH3+])C(C)C 39135453 167364252 /nfs/dbraw/zinc/36/42/52/167364252.db2.gz QOGBMWLDGSUFON-MRVPVSSYSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CCOC(=O)[C@H]1C[C@@H]2C[NH2+]C[C@@H]2C1 242592421 167364313 /nfs/dbraw/zinc/36/43/13/167364313.db2.gz OTXFHRIJKRGBMY-AYMMMOKOSA-N 1 0 183.251 0.795 50 0 ACAARO CCOC(=O)[C@H]1[C@H]2C[NH2+]C[C@H]21 114017031 167364396 /nfs/dbraw/zinc/36/43/96/167364396.db2.gz LLYQBDZAXNIXQC-KVSKUHBBSA-N 1 0 155.197 0.015 50 0 ACAARO CCOC(=O)[C@H]1CC[C@H]([NH3+])C1 78210733 167364472 /nfs/dbraw/zinc/36/44/72/167364472.db2.gz GBSHHLOUZFKHSC-BQBZGAKWSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CCOC(=O)[C@H]1[NH2+][C@@H]2CC[C@H]1C2 20285568 167364559 /nfs/dbraw/zinc/36/45/59/167364559.db2.gz QJGGRDROGASHNR-RNJXMRFFSA-N 1 0 169.224 0.690 50 0 ACAARO CCOC(=O)[C@H]1C[NH+]2CCC1CC2 3171391 167364623 /nfs/dbraw/zinc/36/46/23/167364623.db2.gz ZNYZKXCVJJQSEU-VIFPVBQESA-N 1 0 183.251 0.891 50 0 in-vitro ACAARO CCOC(=O)[C@H]1C[C@@H]1C[NH3+] 39377156 167364869 /nfs/dbraw/zinc/36/48/69/167364869.db2.gz SYDJIQQFQOUGPS-RITPCOANSA-N 1 0 143.186 0.144 50 0 in-vitro ACAARO CCOC(=O)[C@]1(F)[C@H]2C[C@H]([NH3+])C[C@H]21 255190831 167365355 /nfs/dbraw/zinc/36/53/55/167365355.db2.gz ZUQKXXIHAPJOLT-CNRNCBFVSA-N 1 0 187.214 0.625 50 0 ACAARO CCOC(=O)[C@]1(C)CCC[NH2+]1 39115627 167365963 /nfs/dbraw/zinc/36/59/63/167365963.db2.gz GFZALZKFOASWKW-QMMMGPOBSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CCOC(=O)[C@]12C[NH2+]C[C@H]1C2 95707446 167366261 /nfs/dbraw/zinc/36/62/61/167366261.db2.gz KYOYTSMQIIGIRI-HTRCEHHLSA-N 1 0 155.197 0.159 50 0 ACAARO CCOC(=O)[C@]1(C)CCC[NH2+]C1 21987549 167366394 /nfs/dbraw/zinc/36/63/94/167366394.db2.gz LNANFKKPVLUIBX-SECBINFHSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CCOC(=O)[C@]1(O)C[NH+]2CCC1CC2 392756 167367321 /nfs/dbraw/zinc/36/73/21/167367321.db2.gz FBZKUNAGFJRJJT-JTQLQIEISA-N 1 0 199.250 0.006 50 0 ACAARO CCOC(=O)[C@]1(C)CC[NH2+]C1 62919843 167367482 /nfs/dbraw/zinc/36/74/82/167367482.db2.gz QHUUMIBNWDSADG-MRVPVSSYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO CCOC(=O)c1cc(C[NH3+])on1 8614814 167368365 /nfs/dbraw/zinc/36/83/65/167368365.db2.gz OJXTUWSIXVDNAL-UHFFFAOYSA-N 1 0 170.168 0.310 50 0 in-vitro ACAARO CCOC(=O)c1cc(C[NH3+])c[nH]1 47818646 167368580 /nfs/dbraw/zinc/36/85/80/167368580.db2.gz UFEMAZIBERUJFP-UHFFFAOYSA-N 1 0 168.196 0.650 50 0 ACAARO CCOC(=O)c1ccc(C)[n+](C)c1 453411 167368869 /nfs/dbraw/zinc/36/88/69/167368869.db2.gz YWTCVUVPMCATMO-UHFFFAOYSA-N 1 0 180.227 0.996 50 0 ACAARO CCOC(=O)c1cc2n(n1)CC[NH2+]C2 44076406 167369081 /nfs/dbraw/zinc/36/90/81/167369081.db2.gz YJXOIRABUYSNLK-UHFFFAOYSA-N 1 0 195.222 0.163 50 0 in-vitro ACAARO CCOC(=O)c1cc[n+](COC)cc1 67340285 167369398 /nfs/dbraw/zinc/36/93/98/167369398.db2.gz YIMAWDBPEJHHBK-UHFFFAOYSA-N 1 0 196.226 0.755 50 0 ACAARO CCOC(=O)c1cc2c([nH]1)CC[NH2+]C2 40448912 167369937 /nfs/dbraw/zinc/36/99/37/167369937.db2.gz DLTWHLZZIAFDGB-UHFFFAOYSA-N 1 0 194.234 0.837 50 0 ACAARO CCOC(=O)c1cc2c([nH]1)C[NH2+]CC2 59217732 167370282 /nfs/dbraw/zinc/37/02/82/167370282.db2.gz MMPCEQUSDNZYMA-UHFFFAOYSA-N 1 0 194.234 0.837 50 0 ACAARO CCOC(=O)c1cc[n+](C)cc1 401407 167370407 /nfs/dbraw/zinc/37/04/07/167370407.db2.gz RQVSRLSCWUJZKO-UHFFFAOYSA-N 1 0 166.200 0.688 50 0 ACAARO CCOC(=O)c1ccc(C[NH3+])o1 31836 167371011 /nfs/dbraw/zinc/37/10/11/167371011.db2.gz GSWZGDLAZFBBPB-UHFFFAOYSA-N 1 0 169.180 0.915 50 0 in-vitro ACAARO CCOC(=O)c1ccc[nH+]c1NN 74941344 167371186 /nfs/dbraw/zinc/37/11/86/167371186.db2.gz WUTSCQRRPAROJE-UHFFFAOYSA-N 1 0 181.195 0.544 50 0 ACAARO CCOC(=O)c1ccc[n+](C)c1 401385 167371277 /nfs/dbraw/zinc/37/12/77/167371277.db2.gz XJUXFKCRNPPJFA-UHFFFAOYSA-N 1 0 166.200 0.688 50 0 ACAARO CCOC(=O)c1cn(CC[NH3+])cn1 98210207 167371598 /nfs/dbraw/zinc/37/15/98/167371598.db2.gz NOZDUGLTIXSKCZ-UHFFFAOYSA-N 1 0 183.211 0.019 50 0 ACAARO CCOC(=O)c1cccc(C[NH3+])n1 49587143 167371679 /nfs/dbraw/zinc/37/16/79/167371679.db2.gz SAHOZFWRWQZFCH-UHFFFAOYSA-N 1 0 180.207 0.717 50 0 in-vitro ACAARO CCOC(=O)c1ccnc(C[NH3+])c1 35287418 167372705 /nfs/dbraw/zinc/37/27/05/167372705.db2.gz UOIRVEMYVCNPQJ-UHFFFAOYSA-N 1 0 180.207 0.717 50 0 in-vitro ACAARO CCOC(=O)c1ccnc(CC[NH3+])n1 95757371 167372720 /nfs/dbraw/zinc/37/27/20/167372720.db2.gz XFFYWHDZFHJISI-UHFFFAOYSA-N 1 0 195.222 0.155 50 0 ACAARO CCOC(=O)c1ccc(NN)[nH+]c1 70461110 167372746 /nfs/dbraw/zinc/37/27/46/167372746.db2.gz SURXNMWQQYCEDX-UHFFFAOYSA-N 1 0 181.195 0.544 50 0 ACAARO CCOC(=O)c1cccc[n+]1C 401406 167372822 /nfs/dbraw/zinc/37/28/22/167372822.db2.gz FGWWMNYOHYYHRP-UHFFFAOYSA-N 1 0 166.200 0.688 50 0 in-vitro ACAARO CCOC(=O)c1cccnc1C[NH3+] 95642057 167372854 /nfs/dbraw/zinc/37/28/54/167372854.db2.gz MFXGPGNNLRCMNW-UHFFFAOYSA-N 1 0 180.207 0.717 50 0 ACAARO CCOC(=O)c1ccc(C[NH3+])nc1 35287368 167372861 /nfs/dbraw/zinc/37/28/61/167372861.db2.gz YPRBNFRLIKIHST-UHFFFAOYSA-N 1 0 180.207 0.717 50 0 in-vitro ACAARO CCOC(=O)c1n[nH]c2c1C[NH2+]CC2 40435043 167373386 /nfs/dbraw/zinc/37/33/86/167373386.db2.gz PMOHZPNLNJKKRE-UHFFFAOYSA-N 1 0 195.222 0.232 50 0 in-vitro ACAARO CCOC(=O)c1c[nH+]cc(N)c1N 117446234 167375311 /nfs/dbraw/zinc/37/53/11/167375311.db2.gz YQBLSNQHYBVMRO-UHFFFAOYSA-N 1 0 181.195 0.423 50 0 ACAARO CCOC(=O)c1n[nH]c2c1CC[NH2+]C2 104538795 167375404 /nfs/dbraw/zinc/37/54/04/167375404.db2.gz YPZLQVWKOHWDMZ-UHFFFAOYSA-N 1 0 195.222 0.232 50 0 ACAARO CCOC(=O)c1cncc(C[NH3+])c1 75844832 167375555 /nfs/dbraw/zinc/37/55/55/167375555.db2.gz ZEPHZCNXTWXIND-UHFFFAOYSA-N 1 0 180.207 0.717 50 0 ACAARO CCOC(=O)c1nc[nH]c1C[NH3+] 91305671 167377797 /nfs/dbraw/zinc/37/77/97/167377797.db2.gz TWRZLDQFXPGVSE-UHFFFAOYSA-N 1 0 169.184 0.045 50 0 in-vitro ACAARO CCOC(C)(OCC)C(N)=[NH2+] 1439060 167377929 /nfs/dbraw/zinc/37/79/29/167377929.db2.gz HBOMRSYSWWQJQD-UHFFFAOYSA-N 1 0 160.217 0.712 50 0 ACAARO CCOC(C)(C)C[NH3+] 51957338 167378504 /nfs/dbraw/zinc/37/85/04/167378504.db2.gz HAFKEKWSUKEWIN-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 ACAARO CCOC(CC(N)=[NH2+])OCC 1439062 167378707 /nfs/dbraw/zinc/37/87/07/167378707.db2.gz JILSBDSMWZMWKO-UHFFFAOYSA-N 1 0 160.217 0.712 50 0 ACAARO CCOC(=O)c1occc1C[NH3+] 4344268 167378829 /nfs/dbraw/zinc/37/88/29/167378829.db2.gz VMWKGDKBZQIXCS-UHFFFAOYSA-N 1 0 169.180 0.915 50 0 ACAARO CCOC(OCC)C(N)=[NH2+] 5066787 167379411 /nfs/dbraw/zinc/37/94/11/167379411.db2.gz KDPBTKVANKRYFT-UHFFFAOYSA-N 1 0 146.190 0.321 50 0 in-vitro ACAARO CCOC(C[NH3+])OCC 404274 167379545 /nfs/dbraw/zinc/37/95/45/167379545.db2.gz HJKLEAOXCZIMPI-UHFFFAOYSA-N 1 0 133.191 0.344 50 0 in-vitro ACAARO CCOC(OCC)[C@@H](C)[NH3+] 20216979 167379567 /nfs/dbraw/zinc/37/95/67/167379567.db2.gz MLTOHCRTGWUMIR-ZCFIWIBFSA-N 1 0 147.218 0.733 50 0 ACAARO CCOC1(C)C[NH2+]C1 214656163 167379743 /nfs/dbraw/zinc/37/97/43/167379743.db2.gz 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/nfs/dbraw/zinc/38/12/59/167381259.db2.gz PXXMSHBZYAOHBD-UHFFFAOYSA-N 1 0 147.218 0.734 50 0 in-vitro ACAARO CCOC1CC([NH3+])C1 84450761 167382246 /nfs/dbraw/zinc/38/22/46/167382246.db2.gz JEUJTNFONKUPKD-UHFFFAOYSA-N 1 0 115.176 0.513 50 0 ACAARO CCOC1CC([NH2+]C)C1 85521122 167382563 /nfs/dbraw/zinc/38/25/63/167382563.db2.gz SCLRSTWWWULBQX-UHFFFAOYSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CCOCC(C)(C)[NH3+] 19091959 167383006 /nfs/dbraw/zinc/38/30/06/167383006.db2.gz CSHMRHZWHFQJRX-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCOC1CC[NH2+]CC1 88243217 167383081 /nfs/dbraw/zinc/38/30/81/167383081.db2.gz OYHQAXYDSYSGEI-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 ACAARO CCOC=[NH2+] 100042954 167383795 /nfs/dbraw/zinc/38/37/95/167383795.db2.gz HEZYPWDHDAPLSB-UHFFFAOYSA-N 1 0 73.095 0.630 50 0 in-vitro ACAARO CCOCCCC[NH3+] 19394051 167384988 /nfs/dbraw/zinc/38/49/88/167384988.db2.gz GDELFUQKNPLION-UHFFFAOYSA-N 1 0 117.192 0.762 50 0 in-vitro ACAARO CCOCCC(N)=[NH2+] 2547258 167385118 /nfs/dbraw/zinc/38/51/18/167385118.db2.gz ANZMGBWGDBBELF-UHFFFAOYSA-N 1 0 116.164 0.349 50 0 in-vitro ACAARO CCOCC1(O)CC[NH2+]CC1 83823921 167385137 /nfs/dbraw/zinc/38/51/37/167385137.db2.gz WGYUNRCPFHHFFE-UHFFFAOYSA-N 1 0 159.229 0.137 50 0 in-vitro ACAARO CCOCC1(C[NH3+])CC1 19092953 167385463 /nfs/dbraw/zinc/38/54/63/167385463.db2.gz ROAVXRSMSAODPL-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO CCOCC1C[NH2+]C1 42784292 167385994 /nfs/dbraw/zinc/38/59/94/167385994.db2.gz OTJMAVHXYPLBTQ-UHFFFAOYSA-N 1 0 115.176 0.242 50 0 ACAARO CCOCC1([NH3+])CC1 98213452 167386384 /nfs/dbraw/zinc/38/63/84/167386384.db2.gz HVHWGPDMFDCKCC-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 ACAARO CCOCCCNC(=O)C(C)(C)[NH3+] 40920283 167386461 /nfs/dbraw/zinc/38/64/61/167386461.db2.gz OCVGVUSVRMMUTK-UHFFFAOYSA-N 1 0 188.271 0.267 50 0 ACAARO CCOCCC[NH3+] 1586439 167386732 /nfs/dbraw/zinc/38/67/32/167386732.db2.gz SOYBEXQHNURCGE-UHFFFAOYSA-N 1 0 103.165 0.372 50 0 ACAARO CCOCC[NH2+]C[C@@H](C)C(=O)OC 36229373 167387428 /nfs/dbraw/zinc/38/74/28/167387428.db2.gz OQRHCRWPOTXMJY-MRVPVSSYSA-N 1 0 189.255 0.422 50 0 in-vitro ACAARO CCOCCN(CC)CC[NH3+] 41056038 167387432 /nfs/dbraw/zinc/38/74/32/167387432.db2.gz LJSBCYIWQJBVOG-UHFFFAOYSA-N 1 0 160.261 0.304 50 0 ACAARO CCOCC[N@H+](C)Cc1cnn(C)c1 58169212 167388062 /nfs/dbraw/zinc/38/80/62/167388062.db2.gz MJVGQQJOCIKBPB-UHFFFAOYSA-N 1 0 197.282 0.888 50 0 ACAARO CCOCC[NH2+]CCOCC 2389863 167388249 /nfs/dbraw/zinc/38/82/49/167388249.db2.gz QDZOFZFDBDYWJX-UHFFFAOYSA-N 1 0 161.245 0.649 50 0 in-vitro ACAARO CCOCCN1CC[NH2+]C[C@@H]1C 54372578 167388722 /nfs/dbraw/zinc/38/87/22/167388722.db2.gz JVTFIDMHJVTPQF-VIFPVBQESA-N 1 0 172.272 0.317 50 0 ACAARO CCOCC[NH2+]C[C@H](C)C(=O)OC 36229375 167388938 /nfs/dbraw/zinc/38/89/38/167388938.db2.gz OQRHCRWPOTXMJY-QMMMGPOBSA-N 1 0 189.255 0.422 50 0 in-vitro ACAARO CCOCCN1CC[NH2+]C[C@H]1CC 68587355 167389039 /nfs/dbraw/zinc/38/90/39/167389039.db2.gz BJVVBTNILPCHMW-SNVBAGLBSA-N 1 0 186.299 0.707 50 0 in-vitro ACAARO CCOCCN1CC[NH2+]C[C@H]1C 54372581 167389399 /nfs/dbraw/zinc/38/93/99/167389399.db2.gz JVTFIDMHJVTPQF-SECBINFHSA-N 1 0 172.272 0.317 50 0 ACAARO CCOCC[NH2+]C 14628659 167389545 /nfs/dbraw/zinc/38/95/45/167389545.db2.gz QWEJWXUAXUMVFU-UHFFFAOYSA-N 1 0 103.165 0.242 50 0 ACAARO CCOCCN1CC[NH2+]C[C@@H]1CC 68587362 167390107 /nfs/dbraw/zinc/39/01/07/167390107.db2.gz BJVVBTNILPCHMW-JTQLQIEISA-N 1 0 186.299 0.707 50 0 in-vitro ACAARO CCOCCO[C@H]1CC[NH2+]C1 14632000 167391718 /nfs/dbraw/zinc/39/17/18/167391718.db2.gz MOHYICJCYSMBPX-QMMMGPOBSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO CCOCCOC1CC[NH2+]CC1 14631864 167391856 /nfs/dbraw/zinc/39/18/56/167391856.db2.gz YUAFBJXCTHYOSJ-UHFFFAOYSA-N 1 0 173.256 0.792 50 0 in-vitro ACAARO CCOCCOC1C[NH2+]C1 42769741 167392209 /nfs/dbraw/zinc/39/22/09/167392209.db2.gz WVYQXTJUSKZXFO-UHFFFAOYSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO CCOCCOCC[NH2+]C 43498448 167392623 /nfs/dbraw/zinc/39/26/23/167392623.db2.gz KVZLMRWXADMEKP-UHFFFAOYSA-N 1 0 147.218 0.259 50 0 in-vitro ACAARO CCOCCOC[C@@H]1CC[NH2+]C1 42771619 167392755 /nfs/dbraw/zinc/39/27/55/167392755.db2.gz ZUDAEUCPKYWIJT-SECBINFHSA-N 1 0 173.256 0.649 50 0 ACAARO CCOCCO[C@@H]1CC[NH2+]C1 14631998 167392797 /nfs/dbraw/zinc/39/27/97/167392797.db2.gz MOHYICJCYSMBPX-MRVPVSSYSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO CCOCCOC[C@H]1CC[NH2+]C1 42771623 167392831 /nfs/dbraw/zinc/39/28/31/167392831.db2.gz ZUDAEUCPKYWIJT-VIFPVBQESA-N 1 0 173.256 0.649 50 0 ACAARO CCOCCOCC1C[NH2+]C1 42784295 167392972 /nfs/dbraw/zinc/39/29/72/167392972.db2.gz ASHAFLACIWEYLZ-UHFFFAOYSA-N 1 0 159.229 0.259 50 0 ACAARO CCOC[C@@H](C)[NH3+] 19735451 167394801 /nfs/dbraw/zinc/39/48/01/167394801.db2.gz UHUULJTYNNNPQR-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO CCOC[C@@H]1CC[NH2+]C1 14632403 167396207 /nfs/dbraw/zinc/39/62/07/167396207.db2.gz CLFFPDBFVAWYJG-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO CCOC[C@@H]([NH3+])CC 19735453 167396227 /nfs/dbraw/zinc/39/62/27/167396227.db2.gz SXFVCTKXNFZMGD-LURJTMIESA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCOC[C@H]1CCC[NH2+]1 12955270 167396517 /nfs/dbraw/zinc/39/65/17/167396517.db2.gz FRXBWKFANYNBEO-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCOC[C@H](C)[NH3+] 19735452 167396937 /nfs/dbraw/zinc/39/69/37/167396937.db2.gz UHUULJTYNNNPQR-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO CCOC[C@@H](O)C[NH+](CC)CC 2271371 167397061 /nfs/dbraw/zinc/39/70/61/167397061.db2.gz CXAMGRMCTDBXAO-VIFPVBQESA-N 1 0 175.272 0.726 50 0 ACAARO CCOC[C@H]1CC[NH2+]C1 14632404 167397472 /nfs/dbraw/zinc/39/74/72/167397472.db2.gz CLFFPDBFVAWYJG-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO CCOC[C@H]([NH3+])CC 19735454 167397707 /nfs/dbraw/zinc/39/77/07/167397707.db2.gz SXFVCTKXNFZMGD-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCOC[C@H](O)C[NH+](CC)CC 2271372 167397820 /nfs/dbraw/zinc/39/78/20/167397820.db2.gz CXAMGRMCTDBXAO-SECBINFHSA-N 1 0 175.272 0.726 50 0 ACAARO CCOC[C@@H]1CCC[NH2+]1 12955265 167398048 /nfs/dbraw/zinc/39/80/48/167398048.db2.gz FRXBWKFANYNBEO-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCO[C@@H](C)C(N)=[NH2+] 43515717 167401433 /nfs/dbraw/zinc/40/14/33/167401433.db2.gz GDWJZZAGFFRAGC-BYPYZUCNSA-N 1 0 116.164 0.347 50 0 in-vitro ACAARO CCO[C@@H](CC)C[NH3+] 29865968 167401490 /nfs/dbraw/zinc/40/14/90/167401490.db2.gz ZWIYYRFKXQLGRT-LURJTMIESA-N 1 0 117.192 0.760 50 0 ACAARO CCO[C@@H](C)C[NH2+]C 21953262 167402485 /nfs/dbraw/zinc/40/24/85/167402485.db2.gz KJTUSBFXQJSKIW-LURJTMIESA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CCO[C@@H](C[NH3+])C(F)(F)F 37169897 167402666 /nfs/dbraw/zinc/40/26/66/167402666.db2.gz ZGYWKBIBZRFFOE-BYPYZUCNSA-N 1 0 157.135 0.913 50 0 ACAARO CCO[C@@H]1C[C@H]([NH3+])[C@@]12CCCO2 95348387 167403566 /nfs/dbraw/zinc/40/35/66/167403566.db2.gz VXTSEPDCQOGHJA-YIZRAAEISA-N 1 0 171.240 0.672 50 0 in-vitro ACAARO CCO[C@@H]1C[C@H](O)C12CC[NH2+]CC2 71372329 167404326 /nfs/dbraw/zinc/40/43/26/167404326.db2.gz WBKRQCLCXTYBRL-DTWKUNHWSA-N 1 0 185.267 0.526 50 0 in-vitro ACAARO CCO[C@@H]1C[C@@](O)(C[NH3+])C1(C)C 96300642 167404389 /nfs/dbraw/zinc/40/43/89/167404389.db2.gz PMWXOLMMZHLFDC-VXNVDRBHSA-N 1 0 173.256 0.511 50 0 in-vitro ACAARO CCO[C@H]1C[C@@H]([NH3+])C1 103539399 167405152 /nfs/dbraw/zinc/40/51/52/167405152.db2.gz JEUJTNFONKUPKD-IZLXSQMJSA-N 1 0 115.176 0.513 50 0 ACAARO CCO[C@H](C)C(N)=[NH2+] 43515718 167405197 /nfs/dbraw/zinc/40/51/97/167405197.db2.gz GDWJZZAGFFRAGC-SCSAIBSYSA-N 1 0 116.164 0.347 50 0 in-vitro ACAARO CCO[C@H](CC)C[NH3+] 29865971 167407396 /nfs/dbraw/zinc/40/73/96/167407396.db2.gz ZWIYYRFKXQLGRT-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 ACAARO CCO[C@H]1C[C@@H](O)C12CC[NH2+]CC2 71372332 167410122 /nfs/dbraw/zinc/41/01/22/167410122.db2.gz WBKRQCLCXTYBRL-BDAKNGLRSA-N 1 0 185.267 0.526 50 0 in-vitro ACAARO CCOc1cccc(CC[NH3+])n1 74923625 167423130 /nfs/dbraw/zinc/42/31/30/167423130.db2.gz NXYXTNDPTYMCQS-UHFFFAOYSA-N 1 0 166.224 0.982 50 0 ACAARO CCOc1ncnc2c1C[NH2+]CC2 57217681 167429761 /nfs/dbraw/zinc/42/97/61/167429761.db2.gz VROMRJBUZCYJBV-UHFFFAOYSA-N 1 0 179.223 0.521 50 0 in-vitro ACAARO CCS(=O)(=O)CCSC(N)=[NH2+] 4697665 167431075 /nfs/dbraw/zinc/43/10/75/167431075.db2.gz ABWLEWYDMNFXAQ-UHFFFAOYSA-N 1 0 196.297 0.048 50 0 ACAARO CCS(=O)(=O)CC1CC[NH2+]CC1 20183787 167431196 /nfs/dbraw/zinc/43/11/96/167431196.db2.gz UFTVDUBJJOFWMV-UHFFFAOYSA-N 1 0 191.296 0.421 50 0 ACAARO CCSCC[NH3+] 2146714 167436338 /nfs/dbraw/zinc/43/63/38/167436338.db2.gz HJCTVUWPHAZTLI-UHFFFAOYSA-N 1 0 105.206 0.698 50 0 in-vitro ACAARO CCSc1nnc(CC[NH3+])n1C 13564625 167441437 /nfs/dbraw/zinc/44/14/37/167441437.db2.gz BUODRDPYHHLZEK-UHFFFAOYSA-N 1 0 186.284 0.428 50 0 ACAARO CC[C@@H](C)C[NH2+]CCO 2163742 167454079 /nfs/dbraw/zinc/45/40/79/167454079.db2.gz LYOUIPAWIRANIU-SSDOTTSWSA-N 1 0 131.219 0.614 50 0 ACAARO CC[C@@H](C)[NH3+] 3639348 167460420 /nfs/dbraw/zinc/46/04/20/167460420.db2.gz BHRZNVHARXXAHW-SCSAIBSYSA-N 1 0 73.139 0.744 50 0 endogenous,in-man ACAARO CC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 19409083 167468809 /nfs/dbraw/zinc/46/88/09/167468809.db2.gz AMIKXULKOZXKLP-BDAKNGLRSA-N 1 0 184.283 0.901 50 0 ACAARO CC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 19409079 167469755 /nfs/dbraw/zinc/46/97/55/167469755.db2.gz AMIKXULKOZXKLP-RKDXNWHRSA-N 1 0 184.283 0.901 50 0 ACAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC(C)C 19474061 167486929 /nfs/dbraw/zinc/48/69/29/167486929.db2.gz VCUPSOZUSVGUIK-HTQZYQBOSA-N 1 0 172.272 0.884 50 0 ACAARO CC[C@@H](C)[C@@H](O)C[NH3+] 41050387 167491065 /nfs/dbraw/zinc/49/10/65/167491065.db2.gz DPHVQNBKFLZZJA-RITPCOANSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC[C@@H](C)[C@H](O)C[NH3+] 41050385 167491878 /nfs/dbraw/zinc/49/18/78/167491878.db2.gz DPHVQNBKFLZZJA-PHDIDXHHSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC[C@@H](C)[C@H]([NH3+])CO 402997 167493704 /nfs/dbraw/zinc/49/37/04/167493704.db2.gz VTQHAQXFSHDMHT-PHDIDXHHSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCOC1 71023771 167518392 /nfs/dbraw/zinc/51/83/92/167518392.db2.gz ZPESVZMFGMSOLR-HTQZYQBOSA-N 1 0 186.255 0.019 50 0 ACAARO CC[C@@H]([NH3+])CCO 44232452 167520529 /nfs/dbraw/zinc/52/05/29/167520529.db2.gz GMQNGMZJGKHTIA-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(=O)NC(C)C 36871011 167520821 /nfs/dbraw/zinc/52/08/21/167520821.db2.gz NBUVGYHBTQAFMN-ZCFIWIBFSA-N 1 0 144.218 0.248 50 0 ACAARO CC[C@@H]([NH3+])C(N)=O 71621754 167521778 /nfs/dbraw/zinc/52/17/78/167521778.db2.gz HNNJFUDLLWOVKZ-GSVOUGTGSA-N 1 0 102.137 0.259 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C[C@H](C)CO 71790813 167524316 /nfs/dbraw/zinc/52/43/16/167524316.db2.gz SBJSMWHMOBKEDA-NKWVEPMBSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@@H](C)O 1759058 167525707 /nfs/dbraw/zinc/52/57/07/167525707.db2.gz BKFGLDUWYUYHRF-RFZPGFLSSA-N 1 0 103.165 0.105 50 0 ACAARO CC[C@@H]([NH3+])[C@@H](O)C(C)C 1759083 167526709 /nfs/dbraw/zinc/52/67/09/167526709.db2.gz KHRLRJPSKWLLPI-RQJHMYQMSA-N 1 0 131.219 0.741 50 0 ACAARO CC[C@@H]([NH3+])[C@@H](O)C(F)(F)F 43384954 167527275 /nfs/dbraw/zinc/52/72/75/167527275.db2.gz GWSYPURAMKENMH-QWWZWVQMSA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1cnn(C)c1 19090650 167528715 /nfs/dbraw/zinc/52/87/15/167528715.db2.gz VVWSKQUHMPDXEV-SSDOTTSWSA-N 1 0 139.202 0.830 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1ncc[nH]1 36912368 167528941 /nfs/dbraw/zinc/52/89/41/167528941.db2.gz IAADPEJYEZPFOT-RXMQYKEDSA-N 1 0 125.175 0.820 50 0 in-vitro ACAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH3+] 82164651 167558451 /nfs/dbraw/zinc/55/84/51/167558451.db2.gz FQPREEGHKKSYCL-PSASIEDQSA-N 1 0 196.294 0.982 50 0 in-vitro ACAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH3+] 83255375 167559718 /nfs/dbraw/zinc/55/97/18/167559718.db2.gz MADRMDMNNOMONO-RKDXNWHRSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@@]2(CCCOC2)O1 83472288 167560633 /nfs/dbraw/zinc/56/06/33/167560633.db2.gz WHSSJFUJDIVDQW-NXEZZACHSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CC12OCCO2 82164912 167563473 /nfs/dbraw/zinc/56/34/73/167563473.db2.gz WAOSQYAZHHWOTE-SSDOTTSWSA-N 1 0 157.213 0.359 50 0 in-vitro ACAARO CC[C@@H]1COCCN1CC[NH3+] 36323038 167563984 /nfs/dbraw/zinc/56/39/84/167563984.db2.gz NJROUXZKOATYCN-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC[C@@H]1COC[C@H]1[NH3+] 76570582 167564428 /nfs/dbraw/zinc/56/44/28/167564428.db2.gz FYFCHPORKPFYBU-PHDIDXHHSA-N 1 0 115.176 0.370 50 0 ACAARO CC[C@@H]1COC[C@@H]1[NH3+] 76570567 167564753 /nfs/dbraw/zinc/56/47/53/167564753.db2.gz FYFCHPORKPFYBU-RITPCOANSA-N 1 0 115.176 0.370 50 0 ACAARO CC[C@@H]1C[C@@H]([NH3+])CCO1 59622670 167566036 /nfs/dbraw/zinc/56/60/36/167566036.db2.gz UXZVPCXTWGZXHH-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@@H]1C[C@H]1[NH3+] 39348469 167567270 /nfs/dbraw/zinc/56/72/70/167567270.db2.gz GAZWKJNMLLGPKV-RFZPGFLSSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO CC[C@@H]1[NH2+]CC[C@@H]1O 82411725 167569407 /nfs/dbraw/zinc/56/94/07/167569407.db2.gz IPDNGVSSCFCHRJ-WDSKDSINSA-N 1 0 115.176 0.119 50 0 ACAARO CC[C@@](C)([NH3+])CO 12404635 167576812 /nfs/dbraw/zinc/57/68/12/167576812.db2.gz QHKGDMNPQAZMKD-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CC[C@@]1(CO)CCC[NH2+]C1 15635644 167583886 /nfs/dbraw/zinc/58/38/86/167583886.db2.gz XLRLUGYPWYNJGD-MRVPVSSYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CC[C@@]1([NH3+])CCOC1 76570606 167584725 /nfs/dbraw/zinc/58/47/25/167584725.db2.gz XPTBSIRVRXHOLG-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO CC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 19409081 167612427 /nfs/dbraw/zinc/61/24/27/167612427.db2.gz AMIKXULKOZXKLP-DTWKUNHWSA-N 1 0 184.283 0.901 50 0 ACAARO CC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 19409085 167612460 /nfs/dbraw/zinc/61/24/60/167612460.db2.gz AMIKXULKOZXKLP-IUCAKERBSA-N 1 0 184.283 0.901 50 0 ACAARO CC[C@H](C)[NH2+]CC(=O)N(C)C 20036402 167613235 /nfs/dbraw/zinc/61/32/35/167613235.db2.gz UGAVYSXDHMRKQB-ZETCQYMHSA-N 1 0 158.245 0.463 50 0 ACAARO CC[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 19409680 167613952 /nfs/dbraw/zinc/61/39/52/167613952.db2.gz MUVJYDKFWDAROM-JGVFFNPUSA-N 1 0 170.256 0.653 50 0 ACAARO CC[C@H](C)[NH2+]CCO 1716707 167615594 /nfs/dbraw/zinc/61/55/94/167615594.db2.gz YTVUVYDVQNALCM-LURJTMIESA-N 1 0 117.192 0.367 50 0 ACAARO CC[C@H](C)[NH2+]CCC(=O)OC 19736850 167616941 /nfs/dbraw/zinc/61/69/41/167616941.db2.gz XQUBWHFNZRENJY-ZETCQYMHSA-N 1 0 159.229 0.938 50 0 ACAARO CC[C@H](C)[C@@H]([NH3+])C(=O)OC 56963146 167625718 /nfs/dbraw/zinc/62/57/18/167625718.db2.gz YXMMTUJDQTVJEN-NTSWFWBYSA-N 1 0 145.202 0.533 50 0 ACAARO CC[C@H](C)[C@@H]([NH3+])CO 403000 167626859 /nfs/dbraw/zinc/62/68/59/167626859.db2.gz VTQHAQXFSHDMHT-WDSKDSINSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC[C@H](CC[NH3+])N1CCCC1=O 35234553 167643338 /nfs/dbraw/zinc/64/33/38/167643338.db2.gz LCLSXZKPBNGZCX-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO CC[C@H]([NH3+])CF 104588962 167652551 /nfs/dbraw/zinc/65/25/51/167652551.db2.gz AZHRYGRHCHZJDC-BYPYZUCNSA-N 1 0 91.129 0.693 50 0 in-vitro ACAARO CC[C@H]([NH3+])CCO 44232448 167652591 /nfs/dbraw/zinc/65/25/91/167652591.db2.gz GMQNGMZJGKHTIA-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CC[C@H]([NH3+])CCOC 42436468 167654151 /nfs/dbraw/zinc/65/41/51/167654151.db2.gz CDILNRQXLHFPSL-LURJTMIESA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CC[C@H]([NH3+])C[C@@H](C)CO 71790810 167655109 /nfs/dbraw/zinc/65/51/09/167655109.db2.gz SBJSMWHMOBKEDA-RQJHMYQMSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@H]([NH3+])C[C@H](C)CO 71790812 167655769 /nfs/dbraw/zinc/65/57/69/167655769.db2.gz SBJSMWHMOBKEDA-BQBZGAKWSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@H](O)CC 32301832 167657193 /nfs/dbraw/zinc/65/71/93/167657193.db2.gz IOYVGJNAPMXLLT-NTSWFWBYSA-N 1 0 117.192 0.495 50 0 ACAARO CC[C@H]([NH3+])[C@@H](O)C(F)(F)F 43384952 167657328 /nfs/dbraw/zinc/65/73/28/167657328.db2.gz GWSYPURAMKENMH-IUYQGCFVSA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO CC[C@H](O)CC[NH3+] 34049563 167664915 /nfs/dbraw/zinc/66/49/15/167664915.db2.gz RPOTYPSPQZVIJY-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CC[C@H](O)C[NH+](C)C 2042251 167666370 /nfs/dbraw/zinc/66/63/70/167666370.db2.gz ZABFSYBSTIHNAE-LURJTMIESA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CC[C@H](O)[C@H]([NH3+])CC 39294753 167670251 /nfs/dbraw/zinc/67/02/51/167670251.db2.gz IOYVGJNAPMXLLT-RITPCOANSA-N 1 0 117.192 0.495 50 0 ACAARO CC[C@H](O)[C@@H](C)[NH3+] 13356340 167670905 /nfs/dbraw/zinc/67/09/05/167670905.db2.gz JPGZDACJIPHKML-UHNVWZDZSA-N 1 0 103.165 0.105 50 0 ACAARO CC[C@H](O)[C@@H]1CCCC[NH2+]1 1692998 167670970 /nfs/dbraw/zinc/67/09/70/167670970.db2.gz VCCAAURNBULZRR-YUMQZZPRSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH3+] 83255377 167689644 /nfs/dbraw/zinc/68/96/44/167689644.db2.gz MADRMDMNNOMONO-DTWKUNHWSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH3+] 82164650 167689907 /nfs/dbraw/zinc/68/99/07/167689907.db2.gz FQPREEGHKKSYCL-WPRPVWTQSA-N 1 0 196.294 0.982 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]CCC1=O 38250898 167691861 /nfs/dbraw/zinc/69/18/61/167691861.db2.gz OIKJFJVXBZTLGL-LURJTMIESA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO CC[C@H]1COC[C@@H]1[NH3+] 76570571 167694218 /nfs/dbraw/zinc/69/42/18/167694218.db2.gz FYFCHPORKPFYBU-WDSKDSINSA-N 1 0 115.176 0.370 50 0 ACAARO CC[C@H]1C[C@@H]([NH3+])CCO1 59622673 167698000 /nfs/dbraw/zinc/69/80/00/167698000.db2.gz UXZVPCXTWGZXHH-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@H]1C[C@@H]1C[NH3+] 54588219 167698388 /nfs/dbraw/zinc/69/83/88/167698388.db2.gz PLCCCMJDLVVFPX-NTSWFWBYSA-N 1 0 99.177 0.991 50 0 ACAARO CC[C@H]1C[C@H]([NH3+])CCO1 59622668 167698751 /nfs/dbraw/zinc/69/87/51/167698751.db2.gz UXZVPCXTWGZXHH-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@](C)(C[NH3+])OC 51958269 167701512 /nfs/dbraw/zinc/70/15/12/167701512.db2.gz WEHCJNHXUFEVNZ-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CC[C@](C)([NH3+])CC(=O)OC 72266662 167704969 /nfs/dbraw/zinc/70/49/69/167704969.db2.gz ZQKIEOBCNUGBIS-ZETCQYMHSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO CC[C@](C)(O)CC[NH3+] 82411693 167705747 /nfs/dbraw/zinc/70/57/47/167705747.db2.gz SRGNXDJXTPZYRH-LURJTMIESA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CC[C@]1(C(N)=O)CCC[NH2+]C1 62852733 167708371 /nfs/dbraw/zinc/70/83/71/167708371.db2.gz NFBWNWYIEDNOBA-QMMMGPOBSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO CC[C@]1([NH3+])CCOC1 76570602 167709568 /nfs/dbraw/zinc/70/95/68/167709568.db2.gz XPTBSIRVRXHOLG-LURJTMIESA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO CC[C@]1(C)NC(=O)N(CCC[NH3+])C1=O 19271753 167711083 /nfs/dbraw/zinc/71/10/83/167711083.db2.gz BCXXJKJRCIVLAH-VIFPVBQESA-N 1 0 199.254 0.056 50 0 in-vitro ACAARO CCc1nccn1CC[NH3+] 34925781 167781368 /nfs/dbraw/zinc/78/13/68/167781368.db2.gz BOANVMYDGKUJAC-UHFFFAOYSA-N 1 0 139.202 0.404 50 0 in-vitro ACAARO CCc1nn2cc(C[NH3+])nc2s1 20221843 167782182 /nfs/dbraw/zinc/78/21/82/167782182.db2.gz ARPICECESPVCEA-UHFFFAOYSA-N 1 0 182.252 0.812 50 0 ACAARO CCc1nn2cc(CC[NH3+])nc2s1 20270538 167782903 /nfs/dbraw/zinc/78/29/03/167782903.db2.gz GCBYOVHXCAPVIL-UHFFFAOYSA-N 1 0 196.279 0.854 50 0 ACAARO CCc1nn(C)c(OC)c1C[NH3+] 90225696 167784242 /nfs/dbraw/zinc/78/42/42/167784242.db2.gz CBQWQAQDDYPUOV-UHFFFAOYSA-N 1 0 169.228 0.450 50 0 in-vitro ACAARO CCc1nnc([C@H]2C[NH2+]CCO2)o1 98210280 167785949 /nfs/dbraw/zinc/78/59/49/167785949.db2.gz XOSGOQVMKNGIAK-ZCFIWIBFSA-N 1 0 183.211 0.293 50 0 in-vitro ACAARO CC[n+]1c(CO)n(C)c2ccccc21 5657594 167797016 /nfs/dbraw/zinc/79/70/16/167797016.db2.gz GYCYSWYIXZTNOK-UHFFFAOYSA-N 1 0 191.254 0.978 50 0 ACAARO CCn1cc([C@H]2C[NH2+]CCO2)cn1 97139119 167801875 /nfs/dbraw/zinc/80/18/75/167801875.db2.gz NNXXVEMRVABLIR-SECBINFHSA-N 1 0 181.239 0.564 50 0 in-vitro ACAARO CCn1ccc(=[NH2+])cc1 59393 167802644 /nfs/dbraw/zinc/80/26/44/167802644.db2.gz SSKSEXZATXLXLL-UHFFFAOYSA-N 1 0 122.171 0.987 50 0 ACAARO CCn1cnnc1C1CC[NH2+]CC1 49918490 167807573 /nfs/dbraw/zinc/80/75/73/167807573.db2.gz KWBGTCWJGICYFA-UHFFFAOYSA-N 1 0 180.255 0.765 50 0 in-vitro ACAARO CCn1cnnc1C[NH2+]C 19090510 167808013 /nfs/dbraw/zinc/80/80/13/167808013.db2.gz FIFZEXOHPKVYOS-UHFFFAOYSA-N 1 0 140.190 0.017 50 0 in-vitro ACAARO CCn1nc(CO)c2c1CC[NH2+]C2 49584936 167809456 /nfs/dbraw/zinc/80/94/56/167809456.db2.gz RRCPHOTWOUQSPU-UHFFFAOYSA-N 1 0 181.239 0.041 50 0 in-vitro ACAARO CCn1nccc1CC[NH3+] 69026990 167811299 /nfs/dbraw/zinc/81/12/99/167811299.db2.gz FGIBXJBTJBRRHX-UHFFFAOYSA-N 1 0 139.202 0.404 50 0 in-vitro ACAARO CCn1nccc1[C@@H]1C[C@@H]1[NH3+] 164927791 167811875 /nfs/dbraw/zinc/81/18/75/167811875.db2.gz LZXPKHQPUUDFPH-RQJHMYQMSA-N 1 0 151.213 0.718 50 0 ACAARO CCn1nccc1C[C@@H](C)[NH3+] 74941321 167812051 /nfs/dbraw/zinc/81/20/51/167812051.db2.gz YFECFVSHIOZYME-SSDOTTSWSA-N 1 0 153.229 0.793 50 0 ACAARO CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 36757367 167821510 /nfs/dbraw/zinc/82/15/10/167821510.db2.gz WQZWSAVUJCYHMU-VIFPVBQESA-N 1 0 184.283 0.854 50 0 ACAARO CN(C)C(=O)N1CCC(C[NH3+])CC1 82635745 167825064 /nfs/dbraw/zinc/82/50/64/167825064.db2.gz VFHBGTREFBMQJM-UHFFFAOYSA-N 1 0 185.271 0.339 50 0 ACAARO CN(C)C(=O)N1CCC[C@H]([NH3+])C1 78677380 167825420 /nfs/dbraw/zinc/82/54/20/167825420.db2.gz ZSKQKQLNOZOOFP-ZETCQYMHSA-N 1 0 171.244 0.091 50 0 in-vitro ACAARO CN(C)C(=O)N[C@H]1CCC[NH2+]C1 67802703 167825508 /nfs/dbraw/zinc/82/55/08/167825508.db2.gz MDJZCULZJWAILA-ZETCQYMHSA-N 1 0 171.244 0.010 50 0 ACAARO CN(C)C(=O)[C@@H]1CCC[NH2+]C1 19409662 167825943 /nfs/dbraw/zinc/82/59/43/167825943.db2.gz KLSDFCJMDZZDKK-SSDOTTSWSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO CN(C)C(=O)[C@H]1CCC[NH2+]C1 19409664 167826959 /nfs/dbraw/zinc/82/69/59/167826959.db2.gz KLSDFCJMDZZDKK-ZETCQYMHSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 55086529 167827156 /nfs/dbraw/zinc/82/71/56/167827156.db2.gz QCXYZVDUCFHTTO-JGVFFNPUSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CN(C)C(=O)O[C@@H]1CC[NH2+]C1 86229570 167827262 /nfs/dbraw/zinc/82/72/62/167827262.db2.gz VGGYKDDTDHVRCA-ZCFIWIBFSA-N 1 0 158.201 0.047 50 0 ACAARO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 55086527 167827341 /nfs/dbraw/zinc/82/73/41/167827341.db2.gz QCXYZVDUCFHTTO-HTQZYQBOSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO C[NH+](C)C(C)(C)C(N)=S 58455527 167829121 /nfs/dbraw/zinc/82/91/21/167829121.db2.gz OALFGMPWBOCLKP-UHFFFAOYSA-N 1 0 146.259 0.613 50 0 ACAARO C[NH+](C)C1CCC(O)CC1 16125407 167829682 /nfs/dbraw/zinc/82/96/82/167829682.db2.gz STNVXNYQNKDYBT-UHFFFAOYSA-N 1 0 143.230 0.852 50 0 in-vitro ACAARO C[NH+](C)CCCC(N)=S 19422780 167831993 /nfs/dbraw/zinc/83/19/93/167831993.db2.gz KBMBGWFRNOQLRP-UHFFFAOYSA-N 1 0 146.259 0.614 50 0 in-vitro ACAARO C[NH+](C)CC(C)(C)O 13355686 167832386 /nfs/dbraw/zinc/83/23/86/167832386.db2.gz XTYRIICDYQTTTC-UHFFFAOYSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[NH+](C)CCCN1C(=O)CCCC1=O 2258848 167832571 /nfs/dbraw/zinc/83/25/71/167832571.db2.gz WEGAKMAYVMJXNE-UHFFFAOYSA-N 1 0 198.266 0.477 50 0 ACAARO C[NH+](C)CCCOc1ccc(N)cn1 19754113 167835079 /nfs/dbraw/zinc/83/50/79/167835079.db2.gz AWKDLYCHJDXMEK-UHFFFAOYSA-N 1 0 195.266 0.994 50 0 ACAARO C[NH+](C)CCCNC(=O)c1ccco1 5508987 167835426 /nfs/dbraw/zinc/83/54/26/167835426.db2.gz YDKSRJRLMRWWIF-UHFFFAOYSA-N 1 0 196.250 0.961 50 0 in-vitro ACAARO CN(C)C[C@H]1CCCC[NH2+]1 19365274 167843013 /nfs/dbraw/zinc/84/30/13/167843013.db2.gz TVQYLBWVRBQOGI-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CN(C)C[C@@H]1CCC[NH2+]1 39141201 167844169 /nfs/dbraw/zinc/84/41/69/167844169.db2.gz SGIJBHQBXMMPRH-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH+](C)C[C@@H](O)c1ccc(O)cc1 35986314 167844401 /nfs/dbraw/zinc/84/44/01/167844401.db2.gz WMSYKJQBWJUMLL-SNVBAGLBSA-N 1 0 181.235 0.987 50 0 ACAARO CN(C)Cc1ncn2c1C[NH2+]CC2 82396326 167845410 /nfs/dbraw/zinc/84/54/10/167845410.db2.gz ARSFPZCGIDWGHT-UHFFFAOYSA-N 1 0 180.255 0.048 50 0 ACAARO C[NH+](C)Cc1ccc(CO)o1 155106 167845443 /nfs/dbraw/zinc/84/54/43/167845443.db2.gz BQRQOLQFLNSWNV-UHFFFAOYSA-N 1 0 155.197 0.834 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])c1cccn1C 26510968 167849125 /nfs/dbraw/zinc/84/91/25/167849125.db2.gz LZCLIFBUFGFUEP-VIFPVBQESA-N 1 0 167.256 0.587 50 0 ACAARO CN(C)[C@@H]1CCCC[NH2+]C1 19947715 167850007 /nfs/dbraw/zinc/85/00/07/167850007.db2.gz RRKCNYMLYVVFAP-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[NH+](C)[C@@H]1CCC[C@@H]1O 5965139 167850580 /nfs/dbraw/zinc/85/05/80/167850580.db2.gz RXMKVUFGNZHQEE-RQJHMYQMSA-N 1 0 129.203 0.461 50 0 ACAARO C[NH+](C)[C@H]1CCC[C@@H]1O 5965197 167851839 /nfs/dbraw/zinc/85/18/39/167851839.db2.gz RXMKVUFGNZHQEE-BQBZGAKWSA-N 1 0 129.203 0.461 50 0 ACAARO C[NH+](C)[C@H]1CCCC1=O 6374931 167852784 /nfs/dbraw/zinc/85/27/84/167852784.db2.gz CMRKAVCMNZXAHC-LURJTMIESA-N 1 0 127.187 0.670 50 0 in-vitro ACAARO C[NH+](C)[C@H]1CCC[C@H]1O 5965198 167853118 /nfs/dbraw/zinc/85/31/18/167853118.db2.gz RXMKVUFGNZHQEE-NKWVEPMBSA-N 1 0 129.203 0.461 50 0 ACAARO CN(C)c1cc[n+](C#N)cc1 404803 167854875 /nfs/dbraw/zinc/85/48/75/167854875.db2.gz AIHDUTVBOYDXOW-UHFFFAOYSA-N 1 0 148.189 0.369 50 0 in-vitro ACAARO CN(C)c1ccc([C@@H](O)C[NH3+])cc1 11737055 167855610 /nfs/dbraw/zinc/85/56/10/167855610.db2.gz NBZOGWDBVOOQRW-JTQLQIEISA-N 1 0 180.251 0.745 50 0 ACAARO CN(C1CCOCC1)C1C[NH2+]C1 54931443 167864714 /nfs/dbraw/zinc/86/47/14/167864714.db2.gz NUALQRRQUINFNU-UHFFFAOYSA-N 1 0 170.256 0.069 50 0 ACAARO CN(CCC[NH3+])c1ccccn1 19834401 167874487 /nfs/dbraw/zinc/87/44/87/167874487.db2.gz BYNUACNSLSSKPU-UHFFFAOYSA-N 1 0 165.240 0.867 50 0 in-vitro ACAARO CN(CC[NH3+])c1ccccn1 53663564 167878883 /nfs/dbraw/zinc/87/88/83/167878883.db2.gz HWDGMJIXPWQDCM-UHFFFAOYSA-N 1 0 151.213 0.477 50 0 ACAARO CN(Cc1ccncc1)C(N)=[NH2+] 19090445 167890127 /nfs/dbraw/zinc/89/01/27/167890127.db2.gz HVRDGYSEMAYCHI-UHFFFAOYSA-N 1 0 164.212 0.407 50 0 ACAARO CN1C(=O)CSC12CC[NH2+]CC2 95218405 167896572 /nfs/dbraw/zinc/89/65/72/167896572.db2.gz XPBWTXKOMIVZKZ-UHFFFAOYSA-N 1 0 186.280 0.271 50 0 in-vitro ACAARO CN1C(=O)c2ccccc2[C@H]1C[NH3+] 75566633 167897277 /nfs/dbraw/zinc/89/72/77/167897277.db2.gz XCWLYFPMRHWWAG-SECBINFHSA-N 1 0 176.219 0.772 50 0 ACAARO CN1C(=O)c2ccc(C[NH3+])cc2C1=O 82397433 167897708 /nfs/dbraw/zinc/89/77/08/167897708.db2.gz JPFDPLLUJYANED-UHFFFAOYSA-N 1 0 190.202 0.371 50 0 ACAARO CN1C(=O)c2ccccc2[C@@H]1C[NH3+] 75566635 167897764 /nfs/dbraw/zinc/89/77/64/167897764.db2.gz XCWLYFPMRHWWAG-VIFPVBQESA-N 1 0 176.219 0.772 50 0 ACAARO CN1C=C2[NH+]=c3ccccc3=C2CC1 334159120 167898866 /nfs/dbraw/zinc/89/88/66/167898866.db2.gz RPCCJRNDIITWML-UHFFFAOYSA-N 1 0 184.242 0.647 50 0 biogenic ACAARO C[NH+]1CCC(CCO)CC1 34556904 167901773 /nfs/dbraw/zinc/90/17/73/167901773.db2.gz PGPXRIFFCBCWEO-UHFFFAOYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CN1CCC[N@H+](C)CC1 19366331 167904546 /nfs/dbraw/zinc/90/45/46/167904546.db2.gz YQWYNMOCRRYVCE-UHFFFAOYSA-N 1 0 128.219 0.254 50 0 ACAARO C[N@@H+]1CCC[C@@H]1CO 391249 167906322 /nfs/dbraw/zinc/90/63/22/167906322.db2.gz VCOJPHPOVDIRJK-ZCFIWIBFSA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO CN1CCC[C@@H]2C[NH2+]C[C@@H]21 42684205 167906415 /nfs/dbraw/zinc/90/64/15/167906415.db2.gz QVLUVOZDWSAEIP-SFYZADRCSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO CN1CCC[C@@H]2C[NH2+]C[C@H]21 82410178 167907231 /nfs/dbraw/zinc/90/72/31/167907231.db2.gz QVLUVOZDWSAEIP-HTQZYQBOSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@H]1CCO 388246 167907898 /nfs/dbraw/zinc/90/78/98/167907898.db2.gz FYVMBPXFPFAECB-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CN1CCC[C@@]2(CC[NH2+]C2)C1=O 54956966 167907928 /nfs/dbraw/zinc/90/79/28/167907928.db2.gz GDSSVYWSZYKWQL-VIFPVBQESA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO CN1CCC[C@@]12CC[NH2+]C2 64034352 167908862 /nfs/dbraw/zinc/90/88/62/167908862.db2.gz ADMXMXNXEITSAX-QMMMGPOBSA-N 1 0 140.230 0.444 50 0 ACAARO C[N@@H+]1CCC[C@H]1CO 391247 167912397 /nfs/dbraw/zinc/91/23/97/167912397.db2.gz VCOJPHPOVDIRJK-LURJTMIESA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO CN1CCC[C@H]2[NH2+]CC[C@@H]21 82410167 167913213 /nfs/dbraw/zinc/91/32/13/167913213.db2.gz UVIBURNTGPPPMV-SFYZADRCSA-N 1 0 140.230 0.443 50 0 ACAARO CN1CCSC1=[NH2+] 3865408 167921534 /nfs/dbraw/zinc/92/15/34/167921534.db2.gz YMTRVMXXEIEMLP-UHFFFAOYSA-N 1 0 116.189 0.600 50 0 ACAARO CN1CCO[C@@H](C[NH2+]CC2CC2)C1 82432899 167921664 /nfs/dbraw/zinc/92/16/64/167921664.db2.gz LQWALWQRJAREFA-JTQLQIEISA-N 1 0 184.283 0.317 50 0 ACAARO C[N@@H+]1CC[C@@H](O)C1(C)C 82411127 167924614 /nfs/dbraw/zinc/92/46/14/167924614.db2.gz ZPGSNALNPFRXCK-ZCFIWIBFSA-N 1 0 129.203 0.461 50 0 ACAARO CN1CC[C@H](C2CC[NH2+]CC2)CC1=O 34929165 167929344 /nfs/dbraw/zinc/92/93/44/167929344.db2.gz CQALXFUNOJOPGE-JTQLQIEISA-N 1 0 196.294 0.854 50 0 ACAARO CN1CCc2cc([C@H](O)C[NH3+])ccc21 50285920 167938851 /nfs/dbraw/zinc/93/88/51/167938851.db2.gz SMKJAXTUURKFPM-LLVKDONJSA-N 1 0 192.262 0.671 50 0 ACAARO CN1C[C@@H]2CCC[NH2+][C@H]2C1 238833215 167942014 /nfs/dbraw/zinc/94/20/14/167942014.db2.gz ACSQOHDWJKTBRH-YUMQZZPRSA-N 1 0 140.230 0.300 50 0 ACAARO CN1C[C@]2(CCC[NH2+]CC2)OC1=O 67425257 167944199 /nfs/dbraw/zinc/94/41/99/167944199.db2.gz JRXNPMMTBWQQMF-SECBINFHSA-N 1 0 184.239 0.581 50 0 in-vitro ACAARO CNC(=[NH2+])C1CC1 62988252 167948245 /nfs/dbraw/zinc/94/82/45/167948245.db2.gz JARAYGVUGPODBW-UHFFFAOYSA-N 1 0 98.149 0.593 50 0 in-vitro ACAARO CNC(=O)C1CCC([NH3+])CC1 19408181 167949940 /nfs/dbraw/zinc/94/99/40/167949940.db2.gz BAAXLXOXUTWMSB-UHFFFAOYSA-N 1 0 156.229 0.250 50 0 in-vitro ACAARO CNC(=O)CC[NH2+]C(C)C 19736977 167950567 /nfs/dbraw/zinc/95/05/67/167950567.db2.gz XRNMWDXTWCXBDU-UHFFFAOYSA-N 1 0 144.218 0.121 50 0 ACAARO CNC(=O)CC[C@@H]1CCCC[NH2+]1 50931261 167951630 /nfs/dbraw/zinc/95/16/30/167951630.db2.gz WIFUHGQDGIJRFP-QMMMGPOBSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CNC(=O)C[NH+]1CCCCC1 41362315 167954112 /nfs/dbraw/zinc/95/41/12/167954112.db2.gz LWBHDKQIAWVWQZ-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 ACAARO CNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 41363034 167956324 /nfs/dbraw/zinc/95/63/24/167956324.db2.gz OQDNVVQCKWELKM-RKDXNWHRSA-N 1 0 184.283 0.710 50 0 ACAARO CNC(=O)OC[C@@H]1CCCC[NH2+]1 125433482 167965649 /nfs/dbraw/zinc/96/56/49/167965649.db2.gz BCLROQCLESSOJV-ZETCQYMHSA-N 1 0 172.228 0.485 50 0 in-vitro ACAARO CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] 55085987 167974901 /nfs/dbraw/zinc/97/49/01/167974901.db2.gz CNTLKDRKZHDGJD-BQBZGAKWSA-N 1 0 156.229 0.250 50 0 in-vitro ACAARO C[NH2+]C(C)(C)CC(=O)OC 78731123 167979562 /nfs/dbraw/zinc/97/95/62/167979562.db2.gz NKRXMQJBFXQBGU-UHFFFAOYSA-N 1 0 145.202 0.548 50 0 ACAARO C[NH2+]C(C)(C)COC 19092339 167981278 /nfs/dbraw/zinc/98/12/78/167981278.db2.gz PEZCONMNKQLFHS-UHFFFAOYSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO C[NH2+]C1(C(N)=O)CCCC1 37869782 167981679 /nfs/dbraw/zinc/98/16/79/167981679.db2.gz OESOTMQEPBMDID-UHFFFAOYSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO C[NH2+]C1CCC(=O)CC1 40448398 167982896 /nfs/dbraw/zinc/98/28/96/167982896.db2.gz KJIMZXWXSLVBEO-UHFFFAOYSA-N 1 0 127.187 0.718 50 0 in-vitro ACAARO C[NH2+]C1CCN(C2COC2)CC1 95919538 167983389 /nfs/dbraw/zinc/98/33/89/167983389.db2.gz HWCMLCZQNXQVPF-UHFFFAOYSA-N 1 0 170.256 0.069 50 0 ACAARO C[NH2+]CC1(C)COC1 12384497 167989888 /nfs/dbraw/zinc/98/98/88/167989888.db2.gz SBEROSHQCHPJIB-UHFFFAOYSA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO C[NH2+]CC(C)C 2031652 167990596 /nfs/dbraw/zinc/99/05/96/167990596.db2.gz QKYWADPCTHTJHQ-UHFFFAOYSA-N 1 0 87.166 0.862 50 0 in-vitro ACAARO C[NH2+]CC1CCOCC1 20357701 167990709 /nfs/dbraw/zinc/99/07/09/167990709.db2.gz WMBCUXKYKVTJRF-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO C[NH2+]CCCc1cnn(C)c1 49584771 167993721 /nfs/dbraw/zinc/99/37/21/167993721.db2.gz SAGFVAVKFYEIOV-UHFFFAOYSA-N 1 0 153.229 0.572 50 0 in-vitro ACAARO C[NH2+]CCN1CCC(C)CC1 32445502 167995540 /nfs/dbraw/zinc/99/55/40/167995540.db2.gz OUCLILLLTYQVKW-UHFFFAOYSA-N 1 0 156.273 0.938 50 0 in-vitro ACAARO C[NH2+]CCN(C)CC(F)F 37756108 167995877 /nfs/dbraw/zinc/99/58/77/167995877.db2.gz TWMRINHTRCWCQK-UHFFFAOYSA-N 1 0 152.188 0.403 50 0 in-vitro ACAARO C[NH2+]CCNc1ccccn1 54244732 167997725 /nfs/dbraw/zinc/99/77/25/167997725.db2.gz GHXWDWIQFQJWEQ-UHFFFAOYSA-N 1 0 151.213 0.713 50 0 ACAARO C[NH2+]CCOCC1CC1 14628596 167998236 /nfs/dbraw/zinc/99/82/36/167998236.db2.gz WQOCFOHQTOIOHF-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 ACAARO C[NH2+]CC[C@@H]1CCOC1 53301980 168000241 /nfs/dbraw/zinc/00/02/41/168000241.db2.gz LZTGGIUVKFDDMN-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 ACAARO C[NH2+]CCc1cn[nH]c1 4384436 168001247 /nfs/dbraw/zinc/00/12/47/168001247.db2.gz XTWUIUOKJXWWOJ-UHFFFAOYSA-N 1 0 125.175 0.172 50 0 in-vitro ACAARO C[NH2+]CCc1cnccn1 69049460 168001737 /nfs/dbraw/zinc/00/17/37/168001737.db2.gz YXKAZTGAMLBBMM-UHFFFAOYSA-N 1 0 137.186 0.239 50 0 in-vitro ACAARO C[NH2+]CCc1ccccn1 1675415 168001791 /nfs/dbraw/zinc/00/17/91/168001791.db2.gz UUQMNUMQCIQDMZ-UHFFFAOYSA-N 1 0 136.198 0.844 50 0 world ACAARO C[NH2+]CCc1ccnc(OC)c1 83270103 168002042 /nfs/dbraw/zinc/00/20/42/168002042.db2.gz RFZYTORLABNJOU-UHFFFAOYSA-N 1 0 166.224 0.852 50 0 in-vitro ACAARO C[NH2+]CCc1ccncc1 2558620 168002044 /nfs/dbraw/zinc/00/20/44/168002044.db2.gz QZBUGNURVLWJPK-UHFFFAOYSA-N 1 0 136.198 0.844 50 0 in-vitro ACAARO C[NH2+]CCc1cccnc1 2576555 168002090 /nfs/dbraw/zinc/00/20/90/168002090.db2.gz WKRUEUNOCVALAM-UHFFFAOYSA-N 1 0 136.198 0.844 50 0 in-vitro ACAARO C[NH2+]CCc1cnn(C)c1 49585021 168002169 /nfs/dbraw/zinc/00/21/69/168002169.db2.gz RZMAEKCTXKHDQA-UHFFFAOYSA-N 1 0 139.202 0.182 50 0 in-vitro ACAARO C[NH2+]CCn1c(=O)oc2ccccc21 42410047 168002787 /nfs/dbraw/zinc/00/27/87/168002787.db2.gz PLLSIKSDOJMPLS-UHFFFAOYSA-N 1 0 192.218 0.814 50 0 in-vitro ACAARO C[NH2+]CCc1nccs1 20438741 168002859 /nfs/dbraw/zinc/00/28/59/168002859.db2.gz VGGZQRLVVAAFDK-UHFFFAOYSA-N 1 0 142.227 0.905 50 0 in-vitro ACAARO C[NH2+]CCc1noc(C(C)C)n1 19090992 168002876 /nfs/dbraw/zinc/00/28/76/168002876.db2.gz ZRCBXQMHVBPEPW-UHFFFAOYSA-N 1 0 169.228 0.955 50 0 in-vitro ACAARO C[NH2+]CCn1ccnc1 6667698 168003096 /nfs/dbraw/zinc/00/30/96/168003096.db2.gz UUHRZOGUDROUKQ-UHFFFAOYSA-N 1 0 125.175 0.103 50 0 in-vitro ACAARO C[NH2+]CCn1nc(C)cc1C 6667696 168003161 /nfs/dbraw/zinc/00/31/61/168003161.db2.gz FWJJGNBLVKMBKU-UHFFFAOYSA-N 1 0 153.229 0.719 50 0 in-vitro ACAARO C[NH2+]CCc1ncccn1 20441632 168003211 /nfs/dbraw/zinc/00/32/11/168003211.db2.gz NZBFSHUVXZDYNK-UHFFFAOYSA-N 1 0 137.186 0.239 50 0 ACAARO C[NH2+]CCc1noc(C(F)(F)F)n1 71372407 168003289 /nfs/dbraw/zinc/00/32/89/168003289.db2.gz HIECRMAAQJYIIH-UHFFFAOYSA-N 1 0 195.144 0.850 50 0 in-vitro ACAARO C[NH2+]CCc1noc(C)n1 19090989 168003397 /nfs/dbraw/zinc/00/33/97/168003397.db2.gz ZZQZCTVJNGKPMO-UHFFFAOYSA-N 1 0 141.174 0.140 50 0 in-vitro ACAARO C[NH2+]CCn1ccnc1C 6667697 168003398 /nfs/dbraw/zinc/00/33/98/168003398.db2.gz PJPVGDRFDSHWPJ-UHFFFAOYSA-N 1 0 139.202 0.411 50 0 in-vitro ACAARO C[NH2+]C[C@@H](C)N1CCCC1 22073558 168003587 /nfs/dbraw/zinc/00/35/87/168003587.db2.gz ICMKVQKZELETEM-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[NH2+]C[C@@H](C)COC 45696755 168003773 /nfs/dbraw/zinc/00/37/73/168003773.db2.gz VCVKKAMWOVLPIN-ZCFIWIBFSA-N 1 0 117.192 0.488 50 0 in-vitro ACAARO C[NH2+]CCn1cccn1 26547380 168003786 /nfs/dbraw/zinc/00/37/86/168003786.db2.gz CUZNBROTVLFZKQ-UHFFFAOYSA-N 1 0 125.175 0.103 50 0 ACAARO C[NH2+]C[C@@H](C)C(=O)OC 13355658 168004143 /nfs/dbraw/zinc/00/41/43/168004143.db2.gz SXSWYMMPWYAQNU-RXMQYKEDSA-N 1 0 131.175 0.015 50 0 in-vitro ACAARO C[NH2+]CCc1noc(C2CC2)n1 42384262 168004182 /nfs/dbraw/zinc/00/41/82/168004182.db2.gz YDSFBCWTCJYRNB-UHFFFAOYSA-N 1 0 167.212 0.709 50 0 ACAARO C[NH2+]C[C@@H](C)OC 13568036 168004224 /nfs/dbraw/zinc/00/42/24/168004224.db2.gz ARJYMGOQJFRJEF-RXMQYKEDSA-N 1 0 103.165 0.241 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)Cc1ccccc1 33851969 168004816 /nfs/dbraw/zinc/00/48/16/168004816.db2.gz QKDPDTZVDBRIFG-JTQLQIEISA-N 1 0 165.236 0.809 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)C(F)(F)F 82680433 168004830 /nfs/dbraw/zinc/00/48/30/168004830.db2.gz KUWNPQGEOONMLR-GSVOUGTGSA-N 1 0 143.108 0.129 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)COCCOC(C)C 19864942 168004853 /nfs/dbraw/zinc/00/48/53/168004853.db2.gz FUHULVUERYRKSJ-SECBINFHSA-N 1 0 191.271 0.008 50 0 in-vitro ACAARO C[NH2+]C[C@@H](N)c1ccccc1 40409082 168004900 /nfs/dbraw/zinc/00/49/00/168004900.db2.gz KJYMPQAJEPMXKR-SECBINFHSA-N 1 0 150.225 0.906 50 0 ACAARO C[NH2+]C[C@@H](O)COc1ccc(C)cc1 8804408 168005027 /nfs/dbraw/zinc/00/50/27/168005027.db2.gz YMVMLUBZLQSERX-SNVBAGLBSA-N 1 0 195.262 0.954 50 0 ACAARO C[NH2+]C[C@@H](O)COCc1ccccc1 873751 168005147 /nfs/dbraw/zinc/00/51/47/168005147.db2.gz ADTOEVGVYLTCTB-LLVKDONJSA-N 1 0 195.262 0.784 50 0 in-vitro ACAARO C[NH2+]C[C@@H](N)Cc1ccccc1 34124459 168005170 /nfs/dbraw/zinc/00/51/70/168005170.db2.gz REGVHZUNENZGJG-JTQLQIEISA-N 1 0 164.252 0.776 50 0 in-vitro ACAARO C[NH2+]C[C@@H](C)OCCCOC 14628649 168005354 /nfs/dbraw/zinc/00/53/54/168005354.db2.gz SMDYZCOYLAQLDD-MRVPVSSYSA-N 1 0 161.245 0.647 50 0 ACAARO C[NH2+]C[C@@H](O)COCc1ccco1 530599 168005549 /nfs/dbraw/zinc/00/55/49/168005549.db2.gz QAARPPXWXOTLQO-MRVPVSSYSA-N 1 0 185.223 0.377 50 0 ACAARO C[NH2+]C[C@@H](O)COC1CCCCC1 4290915 168005717 /nfs/dbraw/zinc/00/57/17/168005717.db2.gz JFKAAPYQOAYPDN-SECBINFHSA-N 1 0 187.283 0.916 50 0 ACAARO C[NH2+]C[C@@H](O)COc1ccccc1 12955008 168005742 /nfs/dbraw/zinc/00/57/42/168005742.db2.gz QYNFYHMIUAYDRE-SECBINFHSA-N 1 0 181.235 0.646 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCN(C(C)=O)C1 70916362 168006460 /nfs/dbraw/zinc/00/64/60/168006460.db2.gz CPAKMSYBZQCPOV-QMMMGPOBSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)c1ccc(O)cc1 733 168006468 /nfs/dbraw/zinc/00/64/68/168006468.db2.gz YRCWQPVGYLYSOX-SECBINFHSA-N 1 0 167.208 0.645 50 0 endogenous,world ACAARO C[NH2+]C[C@@H](O)c1ccc(O)c(C)c1 84446725 168006597 /nfs/dbraw/zinc/00/65/97/168006597.db2.gz ODYQPNNFGOHQHU-SNVBAGLBSA-N 1 0 181.235 0.953 50 0 ACAARO C[NH2+]C[C@@H](O)c1cccc(OC)c1 5996425 168006670 /nfs/dbraw/zinc/00/66/70/168006670.db2.gz ZIGVURPVSKJORL-SNVBAGLBSA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCCN1 39167992 168006719 /nfs/dbraw/zinc/00/67/19/168006719.db2.gz MGOVUZGBXAFMCY-ZETCQYMHSA-N 1 0 128.219 0.348 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCO1 410310 168006822 /nfs/dbraw/zinc/00/68/22/168006822.db2.gz VJUDVVHGQMPPEI-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCCN1C 20999723 168006829 /nfs/dbraw/zinc/00/68/29/168006829.db2.gz WXCNRPZWUCFNHZ-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCOC1 22561998 168006907 /nfs/dbraw/zinc/00/69/07/168006907.db2.gz ZUGRRINNTXSWBR-LURJTMIESA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCOC1 38045928 168006961 /nfs/dbraw/zinc/00/69/61/168006961.db2.gz SFDNBVAIWWHHQN-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCC[C@H]1O 75523352 168006965 /nfs/dbraw/zinc/00/69/65/168006965.db2.gz GQIAIEOURDZWHB-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCC[C@H]1O 39235671 168007057 /nfs/dbraw/zinc/00/70/57/168007057.db2.gz QJBNIGRBINVWPM-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)c1ccc(O)c(OC)c1 56626 168007188 /nfs/dbraw/zinc/00/71/88/168007188.db2.gz JWJCTZKFYGDABJ-SECBINFHSA-N 1 0 197.234 0.654 50 0 endogenous,investigational ACAARO C[NH2+]C[C@@H](O)c1ccccc1 393339 168007329 /nfs/dbraw/zinc/00/73/29/168007329.db2.gz ZCTYHONEGJTYQV-SECBINFHSA-N 1 0 151.209 0.939 50 0 endogenous,in-man ACAARO C[NH2+]C[C@@H]1CCCN1c1cccnn1 53703936 168007376 /nfs/dbraw/zinc/00/73/76/168007376.db2.gz YUORAWUIGVUNLY-VIFPVBQESA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCN1C 85588039 168007465 /nfs/dbraw/zinc/00/74/65/168007465.db2.gz VAGHQPQYMACYDU-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 14806753 168007484 /nfs/dbraw/zinc/00/74/84/168007484.db2.gz QHCANGFDOHUVAH-QMMMGPOBSA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCCCO1 15635417 168007515 /nfs/dbraw/zinc/00/75/15/168007515.db2.gz PMULDAJCNKLGCN-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)c1cccc(O)c1 113359 168007649 /nfs/dbraw/zinc/00/76/49/168007649.db2.gz SONNWYBIRXJNDC-SECBINFHSA-N 1 0 167.208 0.645 50 0 biogenic,in-man ACAARO C[NH2+]C[C@@H](O)c1ccccc1OC 11802933 168007762 /nfs/dbraw/zinc/00/77/62/168007762.db2.gz RAPKPGKZACIOJH-SECBINFHSA-N 1 0 181.235 0.948 50 0 ACAARO C[NH2+]C[C@@H]1CCCC[C@@H]1O 75529122 168008062 /nfs/dbraw/zinc/00/80/62/168008062.db2.gz QJBNIGRBINVWPM-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)c1ccncc1 32005703 168008109 /nfs/dbraw/zinc/00/81/09/168008109.db2.gz HIJIFZKLOPYMOB-MRVPVSSYSA-N 1 0 152.197 0.334 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCC[C@@H]1O 75523344 168008143 /nfs/dbraw/zinc/00/81/43/168008143.db2.gz GQIAIEOURDZWHB-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[NH2+]C[C@@H](O)c1ccco1 11802904 168008302 /nfs/dbraw/zinc/00/83/02/168008302.db2.gz PLZGRWOGYMZWLZ-ZCFIWIBFSA-N 1 0 141.170 0.532 50 0 ACAARO C[NH2+]C[C@@H](O)c1ccc(OC)cc1 11802937 168008314 /nfs/dbraw/zinc/00/83/14/168008314.db2.gz IWLPVZQFUJSAKT-SNVBAGLBSA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CC(=O)N(C2CCCC2)C1 15635491 168008352 /nfs/dbraw/zinc/00/83/52/168008352.db2.gz HZBAEZTWEGMIPQ-VIFPVBQESA-N 1 0 196.294 0.997 50 0 ACAARO C[NH2+]C[C@@H]1CCn2ccnc2C1 98113854 168008742 /nfs/dbraw/zinc/00/87/42/168008742.db2.gz XKNFOLBRZXMDNP-MRVPVSSYSA-N 1 0 165.240 0.665 50 0 in-vitro ACAARO C[NH2+]C[C@H](C)C[NH+]1CCCC1 19088061 168008901 /nfs/dbraw/zinc/00/89/01/168008901.db2.gz PMTHKDSKDLHJQY-VIFPVBQESA-N 1 0 156.273 0.938 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1COC(C)(C)O1 39957215 168008985 /nfs/dbraw/zinc/00/89/85/168008985.db2.gz WHOSTRMGZDFYCI-ZCFIWIBFSA-N 1 0 145.202 0.357 50 0 ACAARO C[NH2+]C[C@H](C)C(=O)OC 13355654 168009060 /nfs/dbraw/zinc/00/90/60/168009060.db2.gz SXSWYMMPWYAQNU-YFKPBYRVSA-N 1 0 131.175 0.015 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1C[C@@H]1C 36947804 168009095 /nfs/dbraw/zinc/00/90/95/168009095.db2.gz VMVQWPJUETYXCM-WDSKDSINSA-N 1 0 99.177 0.862 50 0 ACAARO C[NH2+]C[C@@]1(C)CCCO1 6032069 168009292 /nfs/dbraw/zinc/00/92/92/168009292.db2.gz CWQAYJVEMMQWGM-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1CCc2nccn2C1 98113852 168009398 /nfs/dbraw/zinc/00/93/98/168009398.db2.gz IAEJJRGJTKDCAA-QMMMGPOBSA-N 1 0 165.240 0.665 50 0 ACAARO C[NH2+]C[C@H](C)COC 45696753 168009439 /nfs/dbraw/zinc/00/94/39/168009439.db2.gz VCVKKAMWOVLPIN-LURJTMIESA-N 1 0 117.192 0.488 50 0 in-vitro ACAARO C[NH2+]C[C@@H]1C[C@H]1C 36947803 168010000 /nfs/dbraw/zinc/01/00/00/168010000.db2.gz VMVQWPJUETYXCM-RITPCOANSA-N 1 0 99.177 0.862 50 0 ACAARO C[NH2+]C[C@H](C)OC 13568037 168010420 /nfs/dbraw/zinc/01/04/20/168010420.db2.gz ARJYMGOQJFRJEF-YFKPBYRVSA-N 1 0 103.165 0.241 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)COCCOC(C)C 19864943 168010477 /nfs/dbraw/zinc/01/04/77/168010477.db2.gz FUHULVUERYRKSJ-VIFPVBQESA-N 1 0 191.271 0.008 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)C(F)(F)F 82680432 168010642 /nfs/dbraw/zinc/01/06/42/168010642.db2.gz KUWNPQGEOONMLR-VKHMYHEASA-N 1 0 143.108 0.129 50 0 in-vitro ACAARO C[NH2+]C[C@H](C)OCCCOC 14628651 168010647 /nfs/dbraw/zinc/01/06/47/168010647.db2.gz SMDYZCOYLAQLDD-QMMMGPOBSA-N 1 0 161.245 0.647 50 0 ACAARO C[NH2+]C[C@H](N)Cc1ccccc1 34124458 168010787 /nfs/dbraw/zinc/01/07/87/168010787.db2.gz REGVHZUNENZGJG-SNVBAGLBSA-N 1 0 164.252 0.776 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)COC1CCCCC1 4290914 168010792 /nfs/dbraw/zinc/01/07/92/168010792.db2.gz JFKAAPYQOAYPDN-VIFPVBQESA-N 1 0 187.283 0.916 50 0 ACAARO C[NH2+]C[C@H](O)COCc1ccco1 530598 168010877 /nfs/dbraw/zinc/01/08/77/168010877.db2.gz QAARPPXWXOTLQO-QMMMGPOBSA-N 1 0 185.223 0.377 50 0 ACAARO C[NH2+]C[C@H](O)COCc1ccccc1 873750 168010999 /nfs/dbraw/zinc/01/09/99/168010999.db2.gz ADTOEVGVYLTCTB-NSHDSACASA-N 1 0 195.262 0.784 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)COc1ccccc1 12955012 168011008 /nfs/dbraw/zinc/01/10/08/168011008.db2.gz QYNFYHMIUAYDRE-VIFPVBQESA-N 1 0 181.235 0.646 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)Cc1ccccc1 33851968 168011354 /nfs/dbraw/zinc/01/13/54/168011354.db2.gz QKDPDTZVDBRIFG-SNVBAGLBSA-N 1 0 165.236 0.809 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)COc1ccc(C)cc1 8804411 168011394 /nfs/dbraw/zinc/01/13/94/168011394.db2.gz YMVMLUBZLQSERX-JTQLQIEISA-N 1 0 195.262 0.954 50 0 ACAARO C[NH2+]C[C@H](N)c1ccccc1 40409078 168011594 /nfs/dbraw/zinc/01/15/94/168011594.db2.gz KJYMPQAJEPMXKR-VIFPVBQESA-N 1 0 150.225 0.906 50 0 ACAARO C[NH2+]C[C@H](O)c1ccc(OC)cc1 11802939 168011940 /nfs/dbraw/zinc/01/19/40/168011940.db2.gz IWLPVZQFUJSAKT-JTQLQIEISA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1ccc(O)c(C)c1 84446728 168011952 /nfs/dbraw/zinc/01/19/52/168011952.db2.gz ODYQPNNFGOHQHU-JTQLQIEISA-N 1 0 181.235 0.953 50 0 ACAARO C[NH2+]C[C@H]1CC(=O)N(C2CCCC2)C1 15635488 168012039 /nfs/dbraw/zinc/01/20/39/168012039.db2.gz HZBAEZTWEGMIPQ-SECBINFHSA-N 1 0 196.294 0.997 50 0 ACAARO C[NH2+]C[C@H]1CCCC[C@@H]1O 39235670 168012058 /nfs/dbraw/zinc/01/20/58/168012058.db2.gz QJBNIGRBINVWPM-SFYZADRCSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1ccc(O)c(OC)c1 56625 168012059 /nfs/dbraw/zinc/01/20/59/168012059.db2.gz JWJCTZKFYGDABJ-VIFPVBQESA-N 1 0 197.234 0.654 50 0 endogenous,investigational ACAARO C[NH2+]C[C@H](O)c1ccccc1OC 11802935 168012189 /nfs/dbraw/zinc/01/21/89/168012189.db2.gz RAPKPGKZACIOJH-VIFPVBQESA-N 1 0 181.235 0.948 50 0 ACAARO C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 14806748 168012504 /nfs/dbraw/zinc/01/25/04/168012504.db2.gz QHCANGFDOHUVAH-MRVPVSSYSA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCCN1c1cccnn1 53703942 168012629 /nfs/dbraw/zinc/01/26/29/168012629.db2.gz YUORAWUIGVUNLY-SECBINFHSA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1ccncc1 32005705 168012827 /nfs/dbraw/zinc/01/28/27/168012827.db2.gz HIJIFZKLOPYMOB-QMMMGPOBSA-N 1 0 152.197 0.334 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1cccc(OC)c1 5996394 168012922 /nfs/dbraw/zinc/01/29/22/168012922.db2.gz ZIGVURPVSKJORL-JTQLQIEISA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCCN1C 85588040 168013017 /nfs/dbraw/zinc/01/30/17/168013017.db2.gz VAGHQPQYMACYDU-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1cccc(O)c1 113355 168013031 /nfs/dbraw/zinc/01/30/31/168013031.db2.gz SONNWYBIRXJNDC-VIFPVBQESA-N 1 0 167.208 0.645 50 0 endogenous,fda ACAARO C[NH2+]C[C@H](O)c1ccc(O)cc1 403588 168013107 /nfs/dbraw/zinc/01/31/07/168013107.db2.gz YRCWQPVGYLYSOX-VIFPVBQESA-N 1 0 167.208 0.645 50 0 endogenous,world ACAARO C[NH2+]C[C@H]1CCCC[C@H]1O 75529129 168013149 /nfs/dbraw/zinc/01/31/49/168013149.db2.gz QJBNIGRBINVWPM-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCCCN1 39205436 168013260 /nfs/dbraw/zinc/01/32/60/168013260.db2.gz MGOVUZGBXAFMCY-SSDOTTSWSA-N 1 0 128.219 0.348 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCCCN1C 85588041 168013292 /nfs/dbraw/zinc/01/32/92/168013292.db2.gz WXCNRPZWUCFNHZ-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[NH2+]C[C@H](O)c1ccccc1 393338 168013415 /nfs/dbraw/zinc/01/34/15/168013415.db2.gz ZCTYHONEGJTYQV-VIFPVBQESA-N 1 0 151.209 0.939 50 0 endogenous,in-man ACAARO C[NH2+]C[C@H]1CCCCO1 15635419 168013442 /nfs/dbraw/zinc/01/34/42/168013442.db2.gz PMULDAJCNKLGCN-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCOC1 22562002 168013831 /nfs/dbraw/zinc/01/38/31/168013831.db2.gz ZUGRRINNTXSWBR-ZCFIWIBFSA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO C[NH2+]C[C@]1(C)CCCO1 6067295 168014026 /nfs/dbraw/zinc/01/40/26/168014026.db2.gz CWQAYJVEMMQWGM-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCC[C@H]1O 75523356 168014134 /nfs/dbraw/zinc/01/41/34/168014134.db2.gz GQIAIEOURDZWHB-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCC[C@@H]1O 75523345 168014357 /nfs/dbraw/zinc/01/43/57/168014357.db2.gz GQIAIEOURDZWHB-RQJHMYQMSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCn2ccnc2C1 98113855 168014468 /nfs/dbraw/zinc/01/44/68/168014468.db2.gz XKNFOLBRZXMDNP-QMMMGPOBSA-N 1 0 165.240 0.665 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCCO1 410309 168014516 /nfs/dbraw/zinc/01/45/16/168014516.db2.gz VJUDVVHGQMPPEI-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH2+]C[C@H]1CCc2nccn2C1 98113853 168014593 /nfs/dbraw/zinc/01/45/93/168014593.db2.gz IAEJJRGJTKDCAA-MRVPVSSYSA-N 1 0 165.240 0.665 50 0 ACAARO C[NH2+]C[C@H]1C[C@H]1C 36947801 168014706 /nfs/dbraw/zinc/01/47/06/168014706.db2.gz VMVQWPJUETYXCM-PHDIDXHHSA-N 1 0 99.177 0.862 50 0 ACAARO C[NH2+]C[C@H]1CCCOC1 38045929 168014807 /nfs/dbraw/zinc/01/48/07/168014807.db2.gz SFDNBVAIWWHHQN-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO C[NH2+]C[C@H]1COC(C)(C)O1 2529168 168014864 /nfs/dbraw/zinc/01/48/64/168014864.db2.gz WHOSTRMGZDFYCI-LURJTMIESA-N 1 0 145.202 0.357 50 0 ACAARO C[NH2+]C[C@H]1C[C@@H]1C 36947802 168014887 /nfs/dbraw/zinc/01/48/87/168014887.db2.gz VMVQWPJUETYXCM-NTSWFWBYSA-N 1 0 99.177 0.862 50 0 ACAARO C[NH2+]C[C@H]1CCN(C(C)=O)C1 70916355 168014943 /nfs/dbraw/zinc/01/49/43/168014943.db2.gz CPAKMSYBZQCPOV-MRVPVSSYSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO C[NH2+]Cc1c(C)n[nH]c1C 19735517 168015170 /nfs/dbraw/zinc/01/51/70/168015170.db2.gz FGGCEAQMRNSHCC-UHFFFAOYSA-N 1 0 139.202 0.746 50 0 in-vitro ACAARO C[NH2+]Cc1cnc[nH]1 54762812 168015370 /nfs/dbraw/zinc/01/53/70/168015370.db2.gz VYAFJWHVHCBQBJ-UHFFFAOYSA-N 1 0 111.148 0.129 50 0 ACAARO C[NH2+]Cc1c(C)nn(CCOC)c1C 37507106 168015859 /nfs/dbraw/zinc/01/58/59/168015859.db2.gz BLAARAINTMTXKC-UHFFFAOYSA-N 1 0 197.282 0.866 50 0 in-vitro ACAARO C[NH2+]Cc1c(Cl)cnn1C 2534197 168015866 /nfs/dbraw/zinc/01/58/66/168015866.db2.gz VGAVKZICXWWONA-UHFFFAOYSA-N 1 0 159.620 0.793 50 0 ACAARO C[NH2+]Cc1cnc(C)[nH]1 54797652 168015946 /nfs/dbraw/zinc/01/59/46/168015946.db2.gz FHIOHBFRXRJQHY-UHFFFAOYSA-N 1 0 125.175 0.438 50 0 ACAARO C[NH2+]Cc1c(C)nn(C)c1C 2388768 168016032 /nfs/dbraw/zinc/01/60/32/168016032.db2.gz DBORGGVCQYVMEP-UHFFFAOYSA-N 1 0 153.229 0.756 50 0 in-vitro ACAARO C[NH2+]Cc1cc(C)on1 12370157 168016083 /nfs/dbraw/zinc/01/60/83/168016083.db2.gz RHCMPOAWANNSSR-UHFFFAOYSA-N 1 0 126.159 0.702 50 0 in-vitro ACAARO C[NH2+]Cc1cc(C)n(C)n1 4277271 168016105 /nfs/dbraw/zinc/01/61/05/168016105.db2.gz CUUKYAXSSNWKLV-UHFFFAOYSA-N 1 0 139.202 0.448 50 0 ACAARO C[NH2+]Cc1cc(C)nn1C 12370159 168016145 /nfs/dbraw/zinc/01/61/45/168016145.db2.gz RTTFXSJNRLYKMF-UHFFFAOYSA-N 1 0 139.202 0.448 50 0 ACAARO C[NH2+]Cc1cc(C)n[nH]1 4453800 168016154 /nfs/dbraw/zinc/01/61/54/168016154.db2.gz HEWBDSWDDPJBLU-UHFFFAOYSA-N 1 0 125.175 0.438 50 0 in-vitro ACAARO C[NH2+]Cc1cc(OC)ccn1 19090608 168016197 /nfs/dbraw/zinc/01/61/97/168016197.db2.gz HWYQBQSYCFSEKV-UHFFFAOYSA-N 1 0 152.197 0.810 50 0 in-vitro ACAARO C[NH2+]Cc1cc(C)no1 12370188 168016585 /nfs/dbraw/zinc/01/65/85/168016585.db2.gz UQKWKRSUELRKSK-UHFFFAOYSA-N 1 0 126.159 0.702 50 0 in-vitro ACAARO C[NH2+]Cc1cc(COC)n[nH]1 4344215 168016695 /nfs/dbraw/zinc/01/66/95/168016695.db2.gz LPVYZFDYHWFLKA-UHFFFAOYSA-N 1 0 155.201 0.276 50 0 ACAARO C[NH2+]Cc1ccc(OC)nc1 51523719 168017602 /nfs/dbraw/zinc/01/76/02/168017602.db2.gz OTFOOSOJJVETBP-UHFFFAOYSA-N 1 0 152.197 0.810 50 0 ACAARO CNC(=O)c1ccc(C[NH2+]C)cc1 4218457 168017809 /nfs/dbraw/zinc/01/78/09/168017809.db2.gz HTIKDJFBVIISPT-UHFFFAOYSA-N 1 0 178.235 0.766 50 0 in-vitro ACAARO C[NH2+]Cc1cccc(C(N)=O)c1 19505295 168017849 /nfs/dbraw/zinc/01/78/49/168017849.db2.gz PQFGHODEZJAWEU-UHFFFAOYSA-N 1 0 164.208 0.505 50 0 ACAARO C[NH2+]Cc1cccc(-n2cncn2)c1 12370245 168018045 /nfs/dbraw/zinc/01/80/45/168018045.db2.gz LLGQTEDUTKNYIP-UHFFFAOYSA-N 1 0 188.234 0.987 50 0 in-vitro ACAARO C[NH2+]Cc1ccc2nonc2c1 19088812 168018075 /nfs/dbraw/zinc/01/80/75/168018075.db2.gz MJQBYUUVVNHZLZ-UHFFFAOYSA-N 1 0 163.180 0.942 50 0 ACAARO C[NH2+]Cc1ccc(CO)o1 21982666 168018076 /nfs/dbraw/zinc/01/80/76/168018076.db2.gz YNROOCMHXMKDGB-UHFFFAOYSA-N 1 0 141.170 0.491 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(N)nc1 72225135 168018082 /nfs/dbraw/zinc/01/80/82/168018082.db2.gz YGLUPBXLYRHUDU-UHFFFAOYSA-N 1 0 137.186 0.383 50 0 in-vitro ACAARO CNC(=O)c1ccc(C[NH2+]C)o1 22201748 168018133 /nfs/dbraw/zinc/01/81/33/168018133.db2.gz NMODYIFATKWVQB-UHFFFAOYSA-N 1 0 168.196 0.359 50 0 in-vitro ACAARO C[NH2+]Cc1cccc(N)c1 2558205 168018141 /nfs/dbraw/zinc/01/81/41/168018141.db2.gz HBLPYXIZPMDWIO-UHFFFAOYSA-N 1 0 136.198 0.988 50 0 in-vitro ACAARO C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 62521526 168018214 /nfs/dbraw/zinc/01/82/14/168018214.db2.gz NPQGPYMETFFTMC-UHFFFAOYSA-N 1 0 192.218 0.737 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(=O)[nH]c1 72225663 168018245 /nfs/dbraw/zinc/01/82/45/168018245.db2.gz ZONIYDUVLPLSPT-UHFFFAOYSA-N 1 0 138.170 0.094 50 0 ACAARO C[NH2+]Cc1ccc(OC)cn1 83119755 168018253 /nfs/dbraw/zinc/01/82/53/168018253.db2.gz OBZUNPXMJPOKEY-UHFFFAOYSA-N 1 0 152.197 0.810 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(OC)cc1N 95935724 168018421 /nfs/dbraw/zinc/01/84/21/168018421.db2.gz QACULAWEXHALEH-UHFFFAOYSA-N 1 0 166.224 0.997 50 0 ACAARO C[NH2+]Cc1cccc(OC)n1 51523626 168018482 /nfs/dbraw/zinc/01/84/82/168018482.db2.gz ZCDSYDMWOVSOBD-UHFFFAOYSA-N 1 0 152.197 0.810 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(C(N)=O)cc1 19806421 168018514 /nfs/dbraw/zinc/01/85/14/168018514.db2.gz SHUXPGPTJHNZOB-UHFFFAOYSA-N 1 0 164.208 0.505 50 0 ACAARO C[NH2+]Cc1ccc(N(C)C)nc1 40538627 168018527 /nfs/dbraw/zinc/01/85/27/168018527.db2.gz NODIHALEAFJFBX-UHFFFAOYSA-N 1 0 165.240 0.867 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(C(=O)OC)o1 16942441 168018587 /nfs/dbraw/zinc/01/85/87/168018587.db2.gz RZWXPMCDQFYGGE-UHFFFAOYSA-N 1 0 169.180 0.786 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(N2CCOCC2)o1 20357698 168018728 /nfs/dbraw/zinc/01/87/28/168018728.db2.gz FXDPDCAYVFRPFC-UHFFFAOYSA-N 1 0 196.250 0.836 50 0 ACAARO C[NH2+]Cc1cccc(N)n1 39050966 168018786 /nfs/dbraw/zinc/01/87/86/168018786.db2.gz SBPDPCGVLAGBDD-UHFFFAOYSA-N 1 0 137.186 0.383 50 0 ACAARO C[NH2+]Cc1ccc[nH]1 11920631 168018830 /nfs/dbraw/zinc/01/88/30/168018830.db2.gz NOARPNKCSMTOJD-UHFFFAOYSA-N 1 0 110.160 0.734 50 0 ACAARO C[NH2+]Cc1ccc(C(=O)OC)cn1 82045911 168019253 /nfs/dbraw/zinc/01/92/53/168019253.db2.gz PKYCRULWUHRDJV-UHFFFAOYSA-N 1 0 180.207 0.588 50 0 ACAARO C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 44353072 168019257 /nfs/dbraw/zinc/01/92/57/168019257.db2.gz FCSGUPZFOJUBOL-UHFFFAOYSA-N 1 0 199.275 0.810 50 0 in-vitro ACAARO C[NH2+]Cc1ccc(-n2ccnc2)nc1 51490103 168019312 /nfs/dbraw/zinc/01/93/12/168019312.db2.gz YCAPSPVMFGFGSZ-UHFFFAOYSA-N 1 0 188.234 0.987 50 0 ACAARO C[NH2+]Cc1cncc(F)c1 69049542 168019534 /nfs/dbraw/zinc/01/95/34/168019534.db2.gz QLZVZSJLHZNQMB-UHFFFAOYSA-N 1 0 140.161 0.940 50 0 ACAARO CNc1ncc(C[NH2+]C)cn1 42384135 168019540 /nfs/dbraw/zinc/01/95/40/168019540.db2.gz KNPNIGWUZQOHES-UHFFFAOYSA-N 1 0 152.201 0.238 50 0 ACAARO C[NH2+]Cc1ccccc1CO 20216433 168019569 /nfs/dbraw/zinc/01/95/69/168019569.db2.gz PHVGEFLKZWWBOU-UHFFFAOYSA-N 1 0 151.209 0.898 50 0 in-vitro ACAARO C[NH2+]Cc1ccn(C(F)F)n1 72209723 168019632 /nfs/dbraw/zinc/01/96/32/168019632.db2.gz NJVXTDOVVPQVNQ-UHFFFAOYSA-N 1 0 161.155 0.998 50 0 ACAARO C[NH2+]Cc1cn(C)nc1C 2388762 168019848 /nfs/dbraw/zinc/01/98/48/168019848.db2.gz VRIUFQOIUWBJCX-UHFFFAOYSA-N 1 0 139.202 0.448 50 0 in-vitro ACAARO C[NH2+]Cc1ccnc(C)n1 22861483 168019983 /nfs/dbraw/zinc/01/99/83/168019983.db2.gz WBEUDFJDNAHJQT-UHFFFAOYSA-N 1 0 137.186 0.504 50 0 ACAARO C[NH2+]Cc1c[nH]nc1C 20357700 168020029 /nfs/dbraw/zinc/02/00/29/168020029.db2.gz TYHVEYPFKAWYRG-UHFFFAOYSA-N 1 0 125.175 0.438 50 0 ACAARO C[NH2+]Cc1cc[nH]n1 12394703 168020049 /nfs/dbraw/zinc/02/00/49/168020049.db2.gz FAFFFBUYETUJAQ-UHFFFAOYSA-N 1 0 111.148 0.129 50 0 in-vitro ACAARO C[NH2+]Cc1ccncc1 161991 168020195 /nfs/dbraw/zinc/02/01/95/168020195.db2.gz DNBWGFKLIBQQSL-UHFFFAOYSA-N 1 0 122.171 0.801 50 0 in-vitro ACAARO C[NH2+]Cc1cn[nH]c1 40932307 168020236 /nfs/dbraw/zinc/02/02/36/168020236.db2.gz NJHKMGYIXSECKA-UHFFFAOYSA-N 1 0 111.148 0.129 50 0 in-vitro ACAARO C[NH2+]Cc1cn(C)cn1 20441559 168020271 /nfs/dbraw/zinc/02/02/71/168020271.db2.gz RSAZAAWMBSYBFM-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 ACAARO C[NH2+]Cc1cccnc1 167133 168020285 /nfs/dbraw/zinc/02/02/85/168020285.db2.gz MCSAQVGDZLPTBS-UHFFFAOYSA-N 1 0 122.171 0.801 50 0 in-vitro ACAARO C[NH2+]Cc1ccccn1 1691719 168020294 /nfs/dbraw/zinc/02/02/94/168020294.db2.gz OOTKJPZEEVPWCR-UHFFFAOYSA-N 1 0 122.171 0.801 50 0 in-vitro ACAARO C[NH2+]Cc1ccco1 394385 168020321 /nfs/dbraw/zinc/02/03/21/168020321.db2.gz DGLIOWSKNOCHEX-UHFFFAOYSA-N 1 0 111.144 0.999 50 0 ACAARO C[NH2+]Cc1cnc(N(C)C)nc1 54855466 168020344 /nfs/dbraw/zinc/02/03/44/168020344.db2.gz DSEMCBZVWDDRJS-UHFFFAOYSA-N 1 0 166.228 0.262 50 0 in-vitro ACAARO C[NH2+]Cc1cn2c(n1)CCCC2 82851635 168020468 /nfs/dbraw/zinc/02/04/68/168020468.db2.gz HRCATBOCKYQNJS-UHFFFAOYSA-N 1 0 165.240 0.939 50 0 in-vitro ACAARO C[NH2+]Cc1ccccc1-n1cncn1 34825218 168020597 /nfs/dbraw/zinc/02/05/97/168020597.db2.gz IOZKLGIATHTZLC-UHFFFAOYSA-N 1 0 188.234 0.987 50 0 ACAARO C[NH2+]Cc1ccno1 20417855 168020638 /nfs/dbraw/zinc/02/06/38/168020638.db2.gz UGRLOJZDADNMRI-UHFFFAOYSA-N 1 0 112.132 0.394 50 0 in-vitro ACAARO C[NH2+]Cc1cnc(C)cn1 34977646 168020737 /nfs/dbraw/zinc/02/07/37/168020737.db2.gz VQIHQBNDRQZLLV-UHFFFAOYSA-N 1 0 137.186 0.504 50 0 in-vitro ACAARO C[NH2+]Cc1ccccc1N 11920619 168020756 /nfs/dbraw/zinc/02/07/56/168020756.db2.gz KNHJWNJISZHGDV-UHFFFAOYSA-N 1 0 136.198 0.988 50 0 in-vitro ACAARO C[NH2+]Cc1ccncn1 19093483 168020764 /nfs/dbraw/zinc/02/07/64/168020764.db2.gz DFDIROLDLLFVOE-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 in-vitro ACAARO C[NH2+]Cc1ccnnc1 38522551 168020773 /nfs/dbraw/zinc/02/07/73/168020773.db2.gz VHMRROGPEPBRQI-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 in-vitro ACAARO C[NH2+]Cc1cncc(OC)c1 95761296 168020807 /nfs/dbraw/zinc/02/08/07/168020807.db2.gz UQUCOEHTKOZANI-UHFFFAOYSA-N 1 0 152.197 0.810 50 0 ACAARO C[NH2+]Cc1cnc(C)nc1 48349129 168020837 /nfs/dbraw/zinc/02/08/37/168020837.db2.gz MKXZINXDIQPONN-UHFFFAOYSA-N 1 0 137.186 0.504 50 0 in-vitro ACAARO C[NH2+]Cc1ccoc1 15202745 168020909 /nfs/dbraw/zinc/02/09/09/168020909.db2.gz YDXZHRKIFGGQDE-UHFFFAOYSA-N 1 0 111.144 0.999 50 0 in-vitro ACAARO C[NH2+]Cc1ccon1 20417852 168020945 /nfs/dbraw/zinc/02/09/45/168020945.db2.gz JSJAXEJEZXYKLY-UHFFFAOYSA-N 1 0 112.132 0.394 50 0 in-vitro ACAARO C[NH2+]Cc1ccnc(SC)n1 82854677 168020984 /nfs/dbraw/zinc/02/09/84/168020984.db2.gz IKPHLPMXEUSURN-UHFFFAOYSA-N 1 0 169.253 0.918 50 0 ACAARO C[NH2+]Cc1ccn(C)n1 2559430 168021000 /nfs/dbraw/zinc/02/10/00/168021000.db2.gz BJOZTPFIJGKTJI-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 in-vitro ACAARO C[NH2+]Cc1cccn(CCOC)c1=O 82664218 168021124 /nfs/dbraw/zinc/02/11/24/168021124.db2.gz PNFHFUDDACWDFK-UHFFFAOYSA-N 1 0 196.250 0.214 50 0 ACAARO C[NH2+]Cc1ccnn1C 2559431 168021157 /nfs/dbraw/zinc/02/11/57/168021157.db2.gz CHGIPIYKGPNYKT-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 in-vitro ACAARO C[NH2+]Cc1cccn1C 818980 168021166 /nfs/dbraw/zinc/02/11/66/168021166.db2.gz YEMKVBRHRNHHGE-UHFFFAOYSA-N 1 0 124.187 0.745 50 0 in-vitro ACAARO C[NH2+]Cc1ccnc(N(C)C)n1 54791215 168021290 /nfs/dbraw/zinc/02/12/90/168021290.db2.gz VCBYBXAUBOKBSZ-UHFFFAOYSA-N 1 0 166.228 0.262 50 0 in-vitro ACAARO C[NH2+]Cc1cccnn1 20439333 168021325 /nfs/dbraw/zinc/02/13/25/168021325.db2.gz MQEHOFSSQIQCJV-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 ACAARO C[NH2+]Cc1nc(C)c[nH]1 19093456 168021470 /nfs/dbraw/zinc/02/14/70/168021470.db2.gz VWPUDWHRYBWJRG-UHFFFAOYSA-N 1 0 125.175 0.438 50 0 ACAARO C[NH2+]Cc1nccn1C 2559719 168021551 /nfs/dbraw/zinc/02/15/51/168021551.db2.gz YFSZWZHEKIMAJJ-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 in-vitro ACAARO C[NH2+]Cc1nc2ccccc2c(=O)[nH]1 6475789 168021599 /nfs/dbraw/zinc/02/15/99/168021599.db2.gz DMJLEOHAYHKRRH-UHFFFAOYSA-N 1 0 189.218 0.643 50 0 in-vitro ACAARO C[NH2+]Cc1cncn1C 4277297 168021607 /nfs/dbraw/zinc/02/16/07/168021607.db2.gz YZCXLAHTHBVYGB-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 in-vitro ACAARO C[NH2+]Cc1ncnn1CC(F)F 84000097 168021619 /nfs/dbraw/zinc/02/16/19/168021619.db2.gz HFDQTPVLHGISJT-UHFFFAOYSA-N 1 0 176.170 0.263 50 0 in-vitro ACAARO C[NH2+]Cc1cncs1 20417850 168021671 /nfs/dbraw/zinc/02/16/71/168021671.db2.gz BVDWIWZWZZLCGR-UHFFFAOYSA-N 1 0 128.200 0.863 50 0 in-vitro ACAARO C[NH2+]Cc1ncccc1F 12370204 168021733 /nfs/dbraw/zinc/02/17/33/168021733.db2.gz CRJRGUJNAQPYJG-UHFFFAOYSA-N 1 0 140.161 0.940 50 0 ACAARO C[NH2+]Cc1nc(C)c(C)n1C 22861567 168021796 /nfs/dbraw/zinc/02/17/96/168021796.db2.gz PRZKTEIXJCWHRP-UHFFFAOYSA-N 1 0 153.229 0.756 50 0 ACAARO C[NH2+]Cc1ncc(Cl)n1C 36804525 168021798 /nfs/dbraw/zinc/02/17/98/168021798.db2.gz IHUTUWFHKPTZTA-UHFFFAOYSA-N 1 0 159.620 0.793 50 0 in-vitro ACAARO C[NH2+]Cc1nc(=O)c2ccsc2[nH]1 12505195 168021843 /nfs/dbraw/zinc/02/18/43/168021843.db2.gz ODBLLOUVFGFHEM-UHFFFAOYSA-N 1 0 195.247 0.704 50 0 ACAARO C[NH2+]Cc1nc(-c2ccccn2)no1 19089549 168021874 /nfs/dbraw/zinc/02/18/74/168021874.db2.gz IBQBDXASLVFLIO-UHFFFAOYSA-N 1 0 190.206 0.851 50 0 ACAARO C[NH2+]Cc1cnccn1 12416968 168021935 /nfs/dbraw/zinc/02/19/35/168021935.db2.gz LPLXKLMQYQPDPA-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 in-vitro ACAARO C[NH2+]Cc1nccn1C(F)F 19254811 168022020 /nfs/dbraw/zinc/02/20/20/168022020.db2.gz PCACBZDNEUJGCO-UHFFFAOYSA-N 1 0 161.155 0.998 50 0 in-vitro ACAARO C[NH2+]Cc1nc(-c2ccncc2)no1 19089555 168022084 /nfs/dbraw/zinc/02/20/84/168022084.db2.gz RZCOOSAGMYPSOK-UHFFFAOYSA-N 1 0 190.206 0.851 50 0 in-vitro ACAARO C[NH2+]Cc1coc(C)n1 36047147 168022099 /nfs/dbraw/zinc/02/20/99/168022099.db2.gz SFLPQWGHHRKLNJ-UHFFFAOYSA-N 1 0 126.159 0.702 50 0 in-vitro ACAARO C[NH2+]Cc1ncccn1 20441609 168022131 /nfs/dbraw/zinc/02/21/31/168022131.db2.gz UYNVZHWHWPHYHA-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 in-vitro ACAARO C[NH2+]Cc1nc(-c2cccnc2)no1 19089552 168022183 /nfs/dbraw/zinc/02/21/83/168022183.db2.gz VRUSPWZQRCPPHC-UHFFFAOYSA-N 1 0 190.206 0.851 50 0 in-vitro ACAARO C[NH2+]Cc1ncc[nH]1 22861350 168022205 /nfs/dbraw/zinc/02/22/05/168022205.db2.gz FXNGQGIWLUWGBV-UHFFFAOYSA-N 1 0 111.148 0.129 50 0 in-vitro ACAARO C[NH2+]Cc1nc(N)c2ccccc2n1 20283310 168022221 /nfs/dbraw/zinc/02/22/21/168022221.db2.gz XPBUWURAZBHZDZ-UHFFFAOYSA-N 1 0 188.234 0.931 50 0 in-vitro ACAARO C[NH2+]Cc1nccc(C)n1 20441613 168022445 /nfs/dbraw/zinc/02/24/45/168022445.db2.gz AZYAKECUJPREHT-UHFFFAOYSA-N 1 0 137.186 0.504 50 0 ACAARO C[NH2+]Cc1nccs1 20417904 168022665 /nfs/dbraw/zinc/02/26/65/168022665.db2.gz MNHGOWYUJYMPGV-UHFFFAOYSA-N 1 0 128.200 0.863 50 0 in-vitro ACAARO C[NH2+]Cc1nccc(OC)c1OC 58824370 168022853 /nfs/dbraw/zinc/02/28/53/168022853.db2.gz QAZJRLUQRWEAKX-UHFFFAOYSA-N 1 0 182.223 0.818 50 0 ACAARO C[NH2+]Cc1[nH]nc2c1CCC2 26545506 168022943 /nfs/dbraw/zinc/02/29/43/168022943.db2.gz PTIKSLFKWXZDSH-UHFFFAOYSA-N 1 0 151.213 0.618 50 0 in-vitro ACAARO C[NH2+]Cc1cncnc1 20441644 168022961 /nfs/dbraw/zinc/02/29/61/168022961.db2.gz XOXVBDCJZLBOAF-UHFFFAOYSA-N 1 0 123.159 0.196 50 0 ACAARO C[NH2+]Cc1cnn(-c2ccccc2)n1 20245877 168023085 /nfs/dbraw/zinc/02/30/85/168023085.db2.gz ZFIAWHJXPQBSDS-UHFFFAOYSA-N 1 0 188.234 0.987 50 0 in-vitro ACAARO C[NH2+]Cc1cscn1 20417908 168023416 /nfs/dbraw/zinc/02/34/16/168023416.db2.gz AIUGQZIAOAZYCW-UHFFFAOYSA-N 1 0 128.200 0.863 50 0 in-vitro ACAARO C[NH2+]Cc1cnn(C)c1 2576728 168023857 /nfs/dbraw/zinc/02/38/57/168023857.db2.gz LEHGOSZFUSOULZ-UHFFFAOYSA-N 1 0 125.175 0.140 50 0 in-vitro ACAARO C[NH2+]Cc1cnn(C)c1C 2388747 168024257 /nfs/dbraw/zinc/02/42/57/168024257.db2.gz GVBFGLTZOPGOSB-UHFFFAOYSA-N 1 0 139.202 0.448 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCN(C)C1 32194666 168041550 /nfs/dbraw/zinc/04/15/50/168041550.db2.gz KGECUXOREWNBGK-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH2+]Cc1nonc1C 4344067 168024741 /nfs/dbraw/zinc/02/47/41/168024741.db2.gz ZKIQDRNNXDSBAF-UHFFFAOYSA-N 1 0 127.147 0.097 50 0 in-vitro ACAARO C[NH2+]Cc1ocnc1C 40447864 168025299 /nfs/dbraw/zinc/02/52/99/168025299.db2.gz CGZKXJPXXUXAOK-UHFFFAOYSA-N 1 0 126.159 0.702 50 0 ACAARO C[NH2+]Cc1nnc2ccccn12 19507445 168025459 /nfs/dbraw/zinc/02/54/59/168025459.db2.gz UQXCTICEXNDHAR-UHFFFAOYSA-N 1 0 162.196 0.449 50 0 in-vitro ACAARO C[NH2+]Cc1nnc2n1CCCCC2 12505095 168025884 /nfs/dbraw/zinc/02/58/84/168025884.db2.gz ONIBARNLHAWNMB-UHFFFAOYSA-N 1 0 180.255 0.724 50 0 in-vitro ACAARO C[NH2+]Cc1snnc1C 19093379 168026053 /nfs/dbraw/zinc/02/60/53/168026053.db2.gz QNLGXALTUJAMMA-UHFFFAOYSA-N 1 0 143.215 0.566 50 0 in-vitro ACAARO C[NH2+]Cc1nncn1C(C)C 15080793 168026226 /nfs/dbraw/zinc/02/62/26/168026226.db2.gz HTBNRMWFFNIJSW-UHFFFAOYSA-N 1 0 154.217 0.578 50 0 in-vitro ACAARO C[NH2+]Cc1nnc(C)s1 82522347 168026411 /nfs/dbraw/zinc/02/64/11/168026411.db2.gz IEJRGJSLDCNZKJ-UHFFFAOYSA-N 1 0 143.215 0.566 50 0 ACAARO C[NH2+]Cc1nnc(C2CC2)n1C 71790842 168026652 /nfs/dbraw/zinc/02/66/52/168026652.db2.gz NNZAJHWGMAZTPB-UHFFFAOYSA-N 1 0 166.228 0.412 50 0 in-vitro ACAARO CNNC(=[NH2+])c1ccccc1 3122966 168027406 /nfs/dbraw/zinc/02/74/06/168027406.db2.gz JSCGQDBHQIGLDY-UHFFFAOYSA-N 1 0 149.197 0.736 50 0 ACAARO C[NH2+][C@@H](C(C)=O)C(C)C 1296128 168029587 /nfs/dbraw/zinc/02/95/87/168029587.db2.gz IGDRULGCCDGCAF-SSDOTTSWSA-N 1 0 129.203 0.819 50 0 ACAARO C[NH2+][C@@H](C(N)=O)c1cccc(F)c1 95619287 168029947 /nfs/dbraw/zinc/02/99/47/168029947.db2.gz OTRJWFIPDLSIIB-MRVPVSSYSA-N 1 0 182.198 0.572 50 0 in-vitro ACAARO C[NH2+][C@@H](C)C(C)(C)O 78730571 168030928 /nfs/dbraw/zinc/03/09/28/168030928.db2.gz SOHFMOBBZSGBFW-YFKPBYRVSA-N 1 0 117.192 0.365 50 0 ACAARO C[NH2+][C@@H](C)C(=O)NC(C)(C)C 20314133 168030964 /nfs/dbraw/zinc/03/09/64/168030964.db2.gz NZRFUGZHULPSLC-LURJTMIESA-N 1 0 158.245 0.509 50 0 in-vitro ACAARO C[NH2+][C@@H](C)[C@@H](C)S(C)(=O)=O 54930330 168032523 /nfs/dbraw/zinc/03/25/23/168032523.db2.gz SFQYXJFZOHIBIU-NTSWFWBYSA-N 1 0 165.258 0.027 50 0 in-vitro ACAARO C[NH2+][C@@H](C)Cc1cnccn1 12397655 168032835 /nfs/dbraw/zinc/03/28/35/168032835.db2.gz ITYOKRJDUQGDII-ZETCQYMHSA-N 1 0 151.213 0.627 50 0 in-vitro ACAARO C[NH2+][C@@H](C)CSC 54495495 168033345 /nfs/dbraw/zinc/03/33/45/168033345.db2.gz RVNOEJVZMRIUBI-YFKPBYRVSA-N 1 0 119.233 0.957 50 0 in-vitro ACAARO C[NH2+][C@@H](C)COC 20041768 168033548 /nfs/dbraw/zinc/03/35/48/168033548.db2.gz BIJHOXVSOJUIPD-YFKPBYRVSA-N 1 0 103.165 0.241 50 0 ACAARO C[NH2+][C@@H](C)c1ccon1 39329711 168034466 /nfs/dbraw/zinc/03/44/66/168034466.db2.gz NIFPOQQLWYUCCI-YFKPBYRVSA-N 1 0 126.159 0.955 50 0 ACAARO C[NH2+][C@@H](C)c1ccncn1 19093489 168034486 /nfs/dbraw/zinc/03/44/86/168034486.db2.gz PEBCUFKRRNOSIC-LURJTMIESA-N 1 0 137.186 0.757 50 0 in-vitro ACAARO C[NH2+][C@@H](C)c1cnn(C)c1 26545977 168035143 /nfs/dbraw/zinc/03/51/43/168035143.db2.gz KFDNTYSILYMRBA-LURJTMIESA-N 1 0 139.202 0.701 50 0 ACAARO C[NH2+][C@@H](C)[C@H](C)S(C)(=O)=O 54930332 168035151 /nfs/dbraw/zinc/03/51/51/168035151.db2.gz SFQYXJFZOHIBIU-WDSKDSINSA-N 1 0 165.258 0.027 50 0 in-vitro ACAARO C[NH2+][C@@H](CO)c1cccc(O)c1 38121297 168035938 /nfs/dbraw/zinc/03/59/38/168035938.db2.gz JLLOVMXOZNHCEB-VIFPVBQESA-N 1 0 167.208 0.645 50 0 ACAARO C[NH2+][C@@H](CC(C)C)C(N)=O 37869959 168036075 /nfs/dbraw/zinc/03/60/75/168036075.db2.gz FBFNXGHTGRJJHX-LURJTMIESA-N 1 0 144.218 0.106 50 0 ACAARO C[NH2+][C@@H](CO)c1ccc(OC)cc1 38121315 168036094 /nfs/dbraw/zinc/03/60/94/168036094.db2.gz KGBJBGGRCRCJOK-JTQLQIEISA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+][C@@H](CO)C(C)(C)C 41052001 168036180 /nfs/dbraw/zinc/03/61/80/168036180.db2.gz QPEVEJCNPXGGBV-LURJTMIESA-N 1 0 131.219 0.613 50 0 in-vitro ACAARO C[NH2+][C@@H](COC)c1ccccn1 19091489 168036323 /nfs/dbraw/zinc/03/63/23/168036323.db2.gz CIVVDUQQGKBETN-VIFPVBQESA-N 1 0 166.224 0.989 50 0 in-vitro ACAARO C[NH2+][C@@H](CO)c1ccccc1 38121197 168036548 /nfs/dbraw/zinc/03/65/48/168036548.db2.gz ULIMZYAYESNNIP-VIFPVBQESA-N 1 0 151.209 0.939 50 0 in-vitro ACAARO C[NH2+][C@@H](CO)Cc1ccccc1 19927618 168036587 /nfs/dbraw/zinc/03/65/87/168036587.db2.gz FJOOJFXCKIPSLU-SNVBAGLBSA-N 1 0 165.236 0.809 50 0 ACAARO C[NH2+][C@@H](CN)c1ccccc1 19366341 168036813 /nfs/dbraw/zinc/03/68/13/168036813.db2.gz PSWHCXOXDHWTEE-VIFPVBQESA-N 1 0 150.225 0.906 50 0 ACAARO C[NH2+][C@@H](CC(N)=O)c1ccccc1 83612406 168037050 /nfs/dbraw/zinc/03/70/50/168037050.db2.gz YGSDBCFOQBCIJT-VIFPVBQESA-N 1 0 178.235 0.823 50 0 in-vitro ACAARO C[NH2+][C@@H](CO)C(C)C 32240414 168037368 /nfs/dbraw/zinc/03/73/68/168037368.db2.gz VUJGKDVZMCDYDE-LURJTMIESA-N 1 0 117.192 0.223 50 0 in-vitro ACAARO C[NH2+][C@@H](CN)Cc1ccccc1 50269907 168037920 /nfs/dbraw/zinc/03/79/20/168037920.db2.gz JPPCOPVFIUICMR-SNVBAGLBSA-N 1 0 164.252 0.776 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCCC1=O 5353677 168039132 /nfs/dbraw/zinc/03/91/32/168039132.db2.gz LWXRVGSVNXASAD-ZCFIWIBFSA-N 1 0 127.187 0.718 50 0 ACAARO C[NH2+][C@@H]1CCCCN(C)C1 76575692 168040344 /nfs/dbraw/zinc/04/03/44/168040344.db2.gz UFELCDQAZUDZSM-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 ACAARO C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O 54930284 168040385 /nfs/dbraw/zinc/04/03/85/168040385.db2.gz QSOXLKJJIZJVNM-SFYZADRCSA-N 1 0 191.296 0.562 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O 54930286 168040518 /nfs/dbraw/zinc/04/05/18/168040518.db2.gz QSOXLKJJIZJVNM-HTQZYQBOSA-N 1 0 191.296 0.562 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O 54930196 168040842 /nfs/dbraw/zinc/04/08/42/168040842.db2.gz YVKMTUPGLFXONW-RQJHMYQMSA-N 1 0 177.269 0.172 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCOC1 34236302 168040936 /nfs/dbraw/zinc/04/09/36/168040936.db2.gz CBPPRONALWRIKK-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCCN(C)C1=O 198016205 168041066 /nfs/dbraw/zinc/04/10/66/168041066.db2.gz WJNPOPAPCCXDLU-SSDOTTSWSA-N 1 0 156.229 0.217 50 0 ACAARO C[NH2+][C@@H]1CCC[C@H](O)C1 38889575 168041273 /nfs/dbraw/zinc/04/12/73/168041273.db2.gz HQAAWQKUJZFQLK-RQJHMYQMSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O 49647577 168041338 /nfs/dbraw/zinc/04/13/38/168041338.db2.gz LBAHDDQZOVYEQJ-RXMQYKEDSA-N 1 0 196.172 0.369 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCC[C@H]1O 1765709 168041414 /nfs/dbraw/zinc/04/14/14/168041414.db2.gz HILGAVODIXBHHR-RNFRBKRXSA-N 1 0 129.203 0.509 50 0 ACAARO C[NH2+][C@@H]1CCC[C@@H](O)C1 38889579 168041448 /nfs/dbraw/zinc/04/14/48/168041448.db2.gz HQAAWQKUJZFQLK-RNFRBKRXSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCCC[C@@H]1O 1765712 168042035 /nfs/dbraw/zinc/04/20/35/168042035.db2.gz HILGAVODIXBHHR-RQJHMYQMSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCOC[C@H]1C 95075868 168042251 /nfs/dbraw/zinc/04/22/51/168042251.db2.gz NJGSBSHBWBRWHE-RNFRBKRXSA-N 1 0 129.203 0.631 50 0 ACAARO C[NH2+][C@@H]1CCc2nnc(C)n2CC1 169790438 168042464 /nfs/dbraw/zinc/04/24/64/168042464.db2.gz ZEEAHWSDVHBWEJ-MRVPVSSYSA-N 1 0 180.255 0.511 50 0 ACAARO C[NH2+][C@@H]1COC[C@H]1N1CCCC1 40447847 168042924 /nfs/dbraw/zinc/04/29/24/168042924.db2.gz PRWDZAOFJLOZAC-RKDXNWHRSA-N 1 0 170.256 0.069 50 0 ACAARO C[NH2+][C@@H]1CCSC1 19255912 168043006 /nfs/dbraw/zinc/04/30/06/168043006.db2.gz ZRMIZYDPXOJIRT-RXMQYKEDSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCOC[C@@H]1C 95075869 168043074 /nfs/dbraw/zinc/04/30/74/168043074.db2.gz NJGSBSHBWBRWHE-NKWVEPMBSA-N 1 0 129.203 0.631 50 0 ACAARO C[NH2+][C@H]1C[C@@H](OC)C1 238856745 168043286 /nfs/dbraw/zinc/04/32/86/168043286.db2.gz XBSDJXNXYCRWDX-OLQVQODUSA-N 1 0 115.176 0.383 50 0 ACAARO C[NH2+][C@@H]1Cc2ccccc2[C@@H]1O 39381410 168043736 /nfs/dbraw/zinc/04/37/36/168043736.db2.gz MVXMWBCEMDLFPP-ZJUUUORDSA-N 1 0 163.220 0.864 50 0 ACAARO C[NH2+][C@@H]1CN2CCC1CC2 20070621 168043793 /nfs/dbraw/zinc/04/37/93/168043793.db2.gz UWBYHCLTULMDDX-MRVPVSSYSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO C[NH2+][C@@H]1Cc2ccccc2[C@H]1O 35803401 168043884 /nfs/dbraw/zinc/04/38/84/168043884.db2.gz MVXMWBCEMDLFPP-NXEZZACHSA-N 1 0 163.220 0.864 50 0 ACAARO C[NH2+][C@H]1CC[C@@H](O)CC1 100007653 168043964 /nfs/dbraw/zinc/04/39/64/168043964.db2.gz OMJKFWFDNIIACS-LJGSYFOKSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@@H]1COC[C@@H]1N1CCCC1 40447845 168044035 /nfs/dbraw/zinc/04/40/35/168044035.db2.gz PRWDZAOFJLOZAC-BDAKNGLRSA-N 1 0 170.256 0.069 50 0 ACAARO C[NH2+][C@H]1CC[C@H](CO)CC1 263623790 168044067 /nfs/dbraw/zinc/04/40/67/168044067.db2.gz KSQLUMZKNADAFH-ZKCHVHJHSA-N 1 0 143.230 0.757 50 0 ACAARO C[NH2+][C@H]1CC[C@H](O)CC1 100025489 168044230 /nfs/dbraw/zinc/04/42/30/168044230.db2.gz OMJKFWFDNIIACS-KNVOCYPGSA-N 1 0 129.203 0.509 50 0 ACAARO C[NH2+][C@@]1(C)CCOC1 82835638 168044727 /nfs/dbraw/zinc/04/47/27/168044727.db2.gz AWSAOVYQXAXFPE-LURJTMIESA-N 1 0 115.176 0.385 50 0 ACAARO C[NH2+][C@@](C)(C(N)=O)c1ccncc1 37459075 168045438 /nfs/dbraw/zinc/04/54/38/168045438.db2.gz HZBRQUCVRNPKDJ-SECBINFHSA-N 1 0 179.223 0.002 50 0 in-vitro ACAARO C[NH2+][C@@]1(CO)CC[C@@H](C)C1 70645182 168046885 /nfs/dbraw/zinc/04/68/85/168046885.db2.gz BWVIEJUDHDGMIB-SFYZADRCSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+][C@H](C(C)=O)C(C)C 1296127 168047438 /nfs/dbraw/zinc/04/74/38/168047438.db2.gz IGDRULGCCDGCAF-ZETCQYMHSA-N 1 0 129.203 0.819 50 0 ACAARO C[NH2+][C@@]1(CO)CC[C@H](C)C1 70645183 168047711 /nfs/dbraw/zinc/04/77/11/168047711.db2.gz BWVIEJUDHDGMIB-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+][C@H](C)C(=O)NC(C)(C)C 20314138 168048216 /nfs/dbraw/zinc/04/82/16/168048216.db2.gz NZRFUGZHULPSLC-ZCFIWIBFSA-N 1 0 158.245 0.509 50 0 in-vitro ACAARO C[NH2+][C@H](C(N)=O)c1cccc(F)c1 95619286 168049003 /nfs/dbraw/zinc/04/90/03/168049003.db2.gz OTRJWFIPDLSIIB-QMMMGPOBSA-N 1 0 182.198 0.572 50 0 in-vitro ACAARO C[NH2+][C@H](C)C(C)(C)O 78730575 168049624 /nfs/dbraw/zinc/04/96/24/168049624.db2.gz SOHFMOBBZSGBFW-RXMQYKEDSA-N 1 0 117.192 0.365 50 0 ACAARO C[NH2+][C@H](C)Cc1cnccn1 12397657 168050103 /nfs/dbraw/zinc/05/01/03/168050103.db2.gz ITYOKRJDUQGDII-SSDOTTSWSA-N 1 0 151.213 0.627 50 0 in-vitro ACAARO C[NH2+][C@H](C)[C@@H](C)S(C)(=O)=O 54930331 168050287 /nfs/dbraw/zinc/05/02/87/168050287.db2.gz SFQYXJFZOHIBIU-PHDIDXHHSA-N 1 0 165.258 0.027 50 0 in-vitro ACAARO C[NH2+][C@H](C)COC 20041771 168050418 /nfs/dbraw/zinc/05/04/18/168050418.db2.gz BIJHOXVSOJUIPD-RXMQYKEDSA-N 1 0 103.165 0.241 50 0 ACAARO C[NH2+][C@H](C)CSC 54495497 168050441 /nfs/dbraw/zinc/05/04/41/168050441.db2.gz RVNOEJVZMRIUBI-RXMQYKEDSA-N 1 0 119.233 0.957 50 0 in-vitro ACAARO C[NH2+][C@H](C)[C@H](C)S(C)(=O)=O 54930333 168050521 /nfs/dbraw/zinc/05/05/21/168050521.db2.gz SFQYXJFZOHIBIU-RITPCOANSA-N 1 0 165.258 0.027 50 0 in-vitro ACAARO C[NH2+][C@H](C)c1ccncn1 19093491 168051476 /nfs/dbraw/zinc/05/14/76/168051476.db2.gz PEBCUFKRRNOSIC-ZCFIWIBFSA-N 1 0 137.186 0.757 50 0 in-vitro ACAARO C[NH2+][C@H](C)c1cnn(C)c1 26545981 168051939 /nfs/dbraw/zinc/05/19/39/168051939.db2.gz KFDNTYSILYMRBA-ZCFIWIBFSA-N 1 0 139.202 0.701 50 0 ACAARO C[NH2+][C@H](C)c1ccon1 39329713 168052627 /nfs/dbraw/zinc/05/26/27/168052627.db2.gz NIFPOQQLWYUCCI-RXMQYKEDSA-N 1 0 126.159 0.955 50 0 ACAARO C[NH2+][C@H](CN1CC[C@H](O)C1)C(C)C 38536687 168053195 /nfs/dbraw/zinc/05/31/95/168053195.db2.gz OGYNUMDQAFUTND-VHSXEESVSA-N 1 0 186.299 0.297 50 0 in-vitro ACAARO C[NH2+][C@H](CO)C(C)C 32240416 168053220 /nfs/dbraw/zinc/05/32/20/168053220.db2.gz VUJGKDVZMCDYDE-ZCFIWIBFSA-N 1 0 117.192 0.223 50 0 in-vitro ACAARO C[NH2+][C@H](CO)c1cccc(O)c1 38121298 168053507 /nfs/dbraw/zinc/05/35/07/168053507.db2.gz JLLOVMXOZNHCEB-SECBINFHSA-N 1 0 167.208 0.645 50 0 ACAARO C[NH2+][C@H](CO)Cc1ccccc1 19927620 168053541 /nfs/dbraw/zinc/05/35/41/168053541.db2.gz FJOOJFXCKIPSLU-JTQLQIEISA-N 1 0 165.236 0.809 50 0 ACAARO C[NH2+][C@H](CO)CC(C)C 38121305 168053900 /nfs/dbraw/zinc/05/39/00/168053900.db2.gz LUAXDSKCXOZUGI-ZETCQYMHSA-N 1 0 131.219 0.613 50 0 in-vitro ACAARO C[NH2+][C@H](CO)c1ccccc1 38121198 168054051 /nfs/dbraw/zinc/05/40/51/168054051.db2.gz ULIMZYAYESNNIP-SECBINFHSA-N 1 0 151.209 0.939 50 0 in-vitro ACAARO C[NH2+][C@H](CO)c1ccc(OC)cc1 38121316 168054089 /nfs/dbraw/zinc/05/40/89/168054089.db2.gz KGBJBGGRCRCJOK-SNVBAGLBSA-N 1 0 181.235 0.948 50 0 in-vitro ACAARO C[NH2+][C@H](CC(N)=O)c1ccccc1 83612408 168054205 /nfs/dbraw/zinc/05/42/05/168054205.db2.gz YGSDBCFOQBCIJT-SECBINFHSA-N 1 0 178.235 0.823 50 0 in-vitro ACAARO C[NH2+][C@H](CN1CC[C@@H](O)C1)C(C)C 22028377 168054284 /nfs/dbraw/zinc/05/42/84/168054284.db2.gz OGYNUMDQAFUTND-NXEZZACHSA-N 1 0 186.299 0.297 50 0 ACAARO C[NH2+][C@H](COC)c1ccccn1 19091492 168054332 /nfs/dbraw/zinc/05/43/32/168054332.db2.gz CIVVDUQQGKBETN-SECBINFHSA-N 1 0 166.224 0.989 50 0 in-vitro ACAARO C[NH2+][C@H](CN)Cc1ccccc1 50269906 168054537 /nfs/dbraw/zinc/05/45/37/168054537.db2.gz JPPCOPVFIUICMR-JTQLQIEISA-N 1 0 164.252 0.776 50 0 in-vitro ACAARO C[NH2+][C@H](CO)C(C)(C)C 41052000 168054693 /nfs/dbraw/zinc/05/46/93/168054693.db2.gz QPEVEJCNPXGGBV-ZCFIWIBFSA-N 1 0 131.219 0.613 50 0 in-vitro ACAARO C[NH2+][C@H](CN)c1ccccc1 19369316 168054702 /nfs/dbraw/zinc/05/47/02/168054702.db2.gz PSWHCXOXDHWTEE-SECBINFHSA-N 1 0 150.225 0.906 50 0 ACAARO C[NH2+][C@H]1CCCCN(C)C1 76575694 168054800 /nfs/dbraw/zinc/05/48/00/168054800.db2.gz UFELCDQAZUDZSM-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 ACAARO C[NH2+][C@H]1CCCCC1=O 541952 168055191 /nfs/dbraw/zinc/05/51/91/168055191.db2.gz LWXRVGSVNXASAD-LURJTMIESA-N 1 0 127.187 0.718 50 0 ACAARO C[NH2+][C@H]1CCCCN(C)C1=O 143078301 168055310 /nfs/dbraw/zinc/05/53/10/168055310.db2.gz WJNPOPAPCCXDLU-ZETCQYMHSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO C[NH2+][C@H]1CCCC[C@@H]1O 1765711 168056199 /nfs/dbraw/zinc/05/61/99/168056199.db2.gz HILGAVODIXBHHR-BQBZGAKWSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O 54930285 168056229 /nfs/dbraw/zinc/05/62/29/168056229.db2.gz QSOXLKJJIZJVNM-YUMQZZPRSA-N 1 0 191.296 0.562 50 0 in-vitro ACAARO C[NH2+][C@H]1CCCOC1 34236303 168056660 /nfs/dbraw/zinc/05/66/60/168056660.db2.gz CBPPRONALWRIKK-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH2+][C@H]1CCC[C@@H]1O 37689579 168056872 /nfs/dbraw/zinc/05/68/72/168056872.db2.gz YAEYCYRQJINORB-WDSKDSINSA-N 1 0 115.176 0.119 50 0 ACAARO C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O 54930287 168056900 /nfs/dbraw/zinc/05/69/00/168056900.db2.gz QSOXLKJJIZJVNM-JGVFFNPUSA-N 1 0 191.296 0.562 50 0 in-vitro ACAARO C[NH2+][C@H]1CCCN(C)C1 32194668 168057073 /nfs/dbraw/zinc/05/70/73/168057073.db2.gz KGECUXOREWNBGK-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[NH2+][C@H]1CCCC[C@H]1O 1765708 168057161 /nfs/dbraw/zinc/05/71/61/168057161.db2.gz HILGAVODIXBHHR-NKWVEPMBSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O 49647578 168057218 /nfs/dbraw/zinc/05/72/18/168057218.db2.gz LBAHDDQZOVYEQJ-YFKPBYRVSA-N 1 0 196.172 0.369 50 0 in-vitro ACAARO C[NH2+][C@H]1CCC[C@@H](O)C1 38889581 168057319 /nfs/dbraw/zinc/05/73/19/168057319.db2.gz HQAAWQKUJZFQLK-NKWVEPMBSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@H]1CCN(C(C)C)C1 37240279 168057384 /nfs/dbraw/zinc/05/73/84/168057384.db2.gz YOPFFIMUVJUYQK-QMMMGPOBSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO C[NH2+][C@H]1CCC[C@H](O)C1 38889577 168057511 /nfs/dbraw/zinc/05/75/11/168057511.db2.gz HQAAWQKUJZFQLK-BQBZGAKWSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[NH2+][C@H]1CCC[C@H]1S(C)(=O)=O 54930199 168057544 /nfs/dbraw/zinc/05/75/44/168057544.db2.gz YVKMTUPGLFXONW-NKWVEPMBSA-N 1 0 177.269 0.172 50 0 in-vitro ACAARO C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O 54930197 168058358 /nfs/dbraw/zinc/05/83/58/168058358.db2.gz YVKMTUPGLFXONW-BQBZGAKWSA-N 1 0 177.269 0.172 50 0 in-vitro ACAARO C[NH2+][C@H]1CCOC[C@@H]1C 95075867 168058655 /nfs/dbraw/zinc/05/86/55/168058655.db2.gz NJGSBSHBWBRWHE-BQBZGAKWSA-N 1 0 129.203 0.631 50 0 ACAARO C[NH2+][C@H]1CCOC[C@H]1C 95075866 168058670 /nfs/dbraw/zinc/05/86/70/168058670.db2.gz NJGSBSHBWBRWHE-RQJHMYQMSA-N 1 0 129.203 0.631 50 0 ACAARO C[NH2+][C@H]1COC[C@@H]1N1CCCC1 40447846 168058975 /nfs/dbraw/zinc/05/89/75/168058975.db2.gz PRWDZAOFJLOZAC-IUCAKERBSA-N 1 0 170.256 0.069 50 0 ACAARO C[NH2+][C@H]1COC[C@H]1N1CCCC1 40447848 168059192 /nfs/dbraw/zinc/05/91/92/168059192.db2.gz PRWDZAOFJLOZAC-DTWKUNHWSA-N 1 0 170.256 0.069 50 0 ACAARO C[NH2+][C@H]1CCSC1 19255914 168059824 /nfs/dbraw/zinc/05/98/24/168059824.db2.gz ZRMIZYDPXOJIRT-YFKPBYRVSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO C[NH2+][C@H]1CCc2nnc(C)n2CC1 169790439 168060054 /nfs/dbraw/zinc/06/00/54/168060054.db2.gz ZEEAHWSDVHBWEJ-QMMMGPOBSA-N 1 0 180.255 0.511 50 0 ACAARO C[NH2+][C@H]1CN2CCC1CC2 20070624 168060326 /nfs/dbraw/zinc/06/03/26/168060326.db2.gz UWBYHCLTULMDDX-QMMMGPOBSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO C[NH2+][C@](C)(C(N)=O)c1ccncc1 37459076 168061283 /nfs/dbraw/zinc/06/12/83/168061283.db2.gz HZBRQUCVRNPKDJ-VIFPVBQESA-N 1 0 179.223 0.002 50 0 in-vitro ACAARO C[NH2+][C@]1(C)CCOC1 82835640 168061396 /nfs/dbraw/zinc/06/13/96/168061396.db2.gz AWSAOVYQXAXFPE-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 ACAARO C[NH2+][C@]1(CO)CC[C@@H](C)C1 70645180 168062724 /nfs/dbraw/zinc/06/27/24/168062724.db2.gz BWVIEJUDHDGMIB-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+][C@]1(CO)CC[C@H](C)C1 70645181 168063932 /nfs/dbraw/zinc/06/39/32/168063932.db2.gz BWVIEJUDHDGMIB-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO CNc1cc([C@@H]2CC[NH2+]C2)nc(C)n1 72344494 168064319 /nfs/dbraw/zinc/06/43/19/168064319.db2.gz XHXVDPDPJDTPTH-MRVPVSSYSA-N 1 0 192.266 0.904 50 0 ACAARO CNc1cc(C[C@H]2CC[NH2+]C2)ncn1 72344179 168064460 /nfs/dbraw/zinc/06/44/60/168064460.db2.gz UNJVLUZCJDEBHC-MRVPVSSYSA-N 1 0 192.266 0.670 50 0 ACAARO CNc1cc([C@H]2CC[NH2+]C2)nc(C)n1 72344495 168064604 /nfs/dbraw/zinc/06/46/04/168064604.db2.gz XHXVDPDPJDTPTH-QMMMGPOBSA-N 1 0 192.266 0.904 50 0 ACAARO CNc1cc(N)cc[nH+]1 43568228 168065027 /nfs/dbraw/zinc/06/50/27/168065027.db2.gz CFDLZUIAPBQUQC-UHFFFAOYSA-N 1 0 123.159 0.706 50 0 in-vitro ACAARO CNc1cc(C[NH3+])ccn1 50423056 168065092 /nfs/dbraw/zinc/06/50/92/168065092.db2.gz YXVFOUXEPOSPTE-UHFFFAOYSA-N 1 0 137.186 0.582 50 0 in-vitro ACAARO CNc1cc(C[C@@H]2CC[NH2+]C2)ncn1 72344178 168065579 /nfs/dbraw/zinc/06/55/79/168065579.db2.gz UNJVLUZCJDEBHC-QMMMGPOBSA-N 1 0 192.266 0.670 50 0 ACAARO CNc1cc2c(nn1)CC[NH2+]C2 68587323 168065731 /nfs/dbraw/zinc/06/57/31/168065731.db2.gz IINDSJAKEDRFLJ-UHFFFAOYSA-N 1 0 164.212 0.164 50 0 in-vitro ACAARO C[NH2+]c1cccc(=O)[nH]1 39471456 168066582 /nfs/dbraw/zinc/06/65/82/168066582.db2.gz FITIAPUZOHEKLR-UHFFFAOYSA-N 1 0 124.143 0.417 50 0 in-vitro ACAARO CNc1cc[nH+]cc1N 493458 168068081 /nfs/dbraw/zinc/06/80/81/168068081.db2.gz CACZIDDDEFIYTF-UHFFFAOYSA-N 1 0 123.159 0.706 50 0 in-vitro ACAARO CNc1cccnc1C[NH3+] 98209967 168069281 /nfs/dbraw/zinc/06/92/81/168069281.db2.gz QLXOYTJNYDKVCJ-UHFFFAOYSA-N 1 0 137.186 0.582 50 0 in-vitro ACAARO CNc1c[nH+]ccc1N 39120797 168069474 /nfs/dbraw/zinc/06/94/74/168069474.db2.gz QLIOXRPNGUADBG-UHFFFAOYSA-N 1 0 123.159 0.706 50 0 in-vitro ACAARO CNc1nc(C[NH3+])cs1 60276658 168069637 /nfs/dbraw/zinc/06/96/37/168069637.db2.gz FJSMBHSKOJEYSY-UHFFFAOYSA-N 1 0 143.215 0.644 50 0 in-vitro ACAARO CNc1cncc(C2CC[NH2+]CC2)n1 19686584 168070114 /nfs/dbraw/zinc/07/01/14/168070114.db2.gz WZADJEQXNWGEAN-UHFFFAOYSA-N 1 0 192.266 0.985 50 0 ACAARO CNc1nc(C[NH3+])ccc1C 34049627 168070173 /nfs/dbraw/zinc/07/01/73/168070173.db2.gz LOOMGRLFSKWZQQ-UHFFFAOYSA-N 1 0 151.213 0.890 50 0 in-vitro ACAARO CNc1cncc([C@@H]2CCC[NH2+]C2)n1 19686602 168070514 /nfs/dbraw/zinc/07/05/14/168070514.db2.gz WHDPYBNKLDFCGP-MRVPVSSYSA-N 1 0 192.266 0.985 50 0 ACAARO CNc1cncc([C@H]2CCC[NH2+]C2)n1 19686604 168071184 /nfs/dbraw/zinc/07/11/84/168071184.db2.gz WHDPYBNKLDFCGP-QMMMGPOBSA-N 1 0 192.266 0.985 50 0 ACAARO CNc1[nH]cc[nH+]1 32190964 168072432 /nfs/dbraw/zinc/07/24/32/168072432.db2.gz ZYXHZCQMCOVXJW-UHFFFAOYSA-N 1 0 97.121 0.451 50 0 ACAARO CNc1ncccc1C[NH3+] 34308671 168072841 /nfs/dbraw/zinc/07/28/41/168072841.db2.gz IGYVKGUNRCIJDC-UHFFFAOYSA-N 1 0 137.186 0.582 50 0 in-vitro ACAARO CNc1nccnc1C1CC[NH2+]CC1 19686586 168073421 /nfs/dbraw/zinc/07/34/21/168073421.db2.gz HSTIJOGYKYKRDT-UHFFFAOYSA-N 1 0 192.266 0.985 50 0 ACAARO CNc1[nH+]ccn1C 2548457 168073680 /nfs/dbraw/zinc/07/36/80/168073680.db2.gz RLXLWFPRNNKNMB-UHFFFAOYSA-N 1 0 111.148 0.462 50 0 in-vitro ACAARO CNc1nccnc1[C@H]1CCC[NH2+]C1 19686608 168073700 /nfs/dbraw/zinc/07/37/00/168073700.db2.gz DPBOWKVWVZXFHH-QMMMGPOBSA-N 1 0 192.266 0.985 50 0 ACAARO CNc1nccnc1[C@H]1CCC[NH2+]1 19686645 168073811 /nfs/dbraw/zinc/07/38/11/168073811.db2.gz YOJGQPIZISBZMZ-SSDOTTSWSA-N 1 0 178.239 0.943 50 0 ACAARO CNc1nccnc1[C@@H]1CCC[NH2+]1 19686643 168074130 /nfs/dbraw/zinc/07/41/30/168074130.db2.gz YOJGQPIZISBZMZ-ZETCQYMHSA-N 1 0 178.239 0.943 50 0 ACAARO CNc1nccnc1[C@@H]1CCC[NH2+]C1 19686606 168074531 /nfs/dbraw/zinc/07/45/31/168074531.db2.gz DPBOWKVWVZXFHH-MRVPVSSYSA-N 1 0 192.266 0.985 50 0 ACAARO COC(=O)/C=C/C[NH+](C)C 34752966 168078067 /nfs/dbraw/zinc/07/80/67/168078067.db2.gz CIBYNORTVQSQMW-SNAWJCMRSA-N 1 0 143.186 0.277 50 0 in-vitro ACAARO COC(=O)C(C)(C)CC[NH3+] 104602146 168079685 /nfs/dbraw/zinc/07/96/85/168079685.db2.gz HUPLDLUMVOWPGJ-UHFFFAOYSA-N 1 0 145.202 0.534 50 0 in-vitro ACAARO COC(=O)C(C)(C)[C@@H](C)[NH3+] 75537579 168080065 /nfs/dbraw/zinc/08/00/65/168080065.db2.gz HYUUPJAZVLZSGD-RXMQYKEDSA-N 1 0 145.202 0.533 50 0 ACAARO COC(=O)C(C)(C)C(C)(C)[NH3+] 5350668 168080586 /nfs/dbraw/zinc/08/05/86/168080586.db2.gz BJSXLPVEEZIQQQ-UHFFFAOYSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO COC(=O)C(C)(C)[C@H](C)[NH3+] 75537577 168080859 /nfs/dbraw/zinc/08/08/59/168080859.db2.gz HYUUPJAZVLZSGD-YFKPBYRVSA-N 1 0 145.202 0.533 50 0 ACAARO COC(=O)C(C)(C)C[NH3+] 14007328 168081136 /nfs/dbraw/zinc/08/11/36/168081136.db2.gz YAVPDSQCYSZORP-UHFFFAOYSA-N 1 0 131.175 0.144 50 0 in-vitro ACAARO COC(=O)C1=CC[NH2+]CC1 14724547 168081292 /nfs/dbraw/zinc/08/12/92/168081292.db2.gz YJBXHMHSOCHRLV-UHFFFAOYSA-N 1 0 141.170 0.079 50 0 in-vitro ACAARO COC(=O)C1=CC[N@H+](C)CC1 24737696 168081448 /nfs/dbraw/zinc/08/14/48/168081448.db2.gz SVXZBICQLNEMLC-UHFFFAOYSA-N 1 0 155.197 0.421 50 0 in-vitro ACAARO COC(=O)C1=CCC[N@H+](C)C1 52541469 168081582 /nfs/dbraw/zinc/08/15/82/168081582.db2.gz HJJPJSXJAXAIPN-UHFFFAOYSA-N 1 0 155.197 0.421 50 0 endogenous,in-man ACAARO COC(=O)C1(C[NH3+])CCC1 14007537 168081601 /nfs/dbraw/zinc/08/16/01/168081601.db2.gz BOOWYKHRIQPXJV-UHFFFAOYSA-N 1 0 143.186 0.288 50 0 ACAARO COC(=O)C12CCC([NH3+])(CC1)C2 108287976 168081651 /nfs/dbraw/zinc/08/16/51/168081651.db2.gz SLVBGSLDDDRHKZ-UHFFFAOYSA-N 1 0 169.224 0.821 50 0 in-vitro ACAARO COC(=O)C1(C)CC[NH2+]CC1 54957044 168081670 /nfs/dbraw/zinc/08/16/70/168081670.db2.gz KMROKLMQVGAOMJ-UHFFFAOYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)C1=CCC[NH2+]C1 3638105 168081947 /nfs/dbraw/zinc/08/19/47/168081947.db2.gz DYPLDWLIOGXSSE-UHFFFAOYSA-N 1 0 141.170 0.079 50 0 biogenic,in-vitro ACAARO COC(=O)C1([NH3+])CCC1 54967478 168082089 /nfs/dbraw/zinc/08/20/89/168082089.db2.gz SGXOPTPGZBLQAY-UHFFFAOYSA-N 1 0 129.159 0.041 50 0 in-vitro ACAARO COC(=O)C12CC(C[NH3+])(C1)C2 238375185 168082108 /nfs/dbraw/zinc/08/21/08/168082108.db2.gz PJKRHYBIRWXCPO-UHFFFAOYSA-N 1 0 155.197 0.288 50 0 ACAARO COC(=O)C1([NH3+])CCSCC1 95942454 168082114 /nfs/dbraw/zinc/08/21/14/168082114.db2.gz PXWFTFBRRIOPBO-UHFFFAOYSA-N 1 0 175.253 0.384 50 0 biogenic,in-vitro ACAARO COC(=O)C1(C[NH3+])CCCC1 14007543 168082122 /nfs/dbraw/zinc/08/21/22/168082122.db2.gz OGHFBRUKGNNLRN-UHFFFAOYSA-N 1 0 157.213 0.679 50 0 in-vitro ACAARO COC(=O)C1([NH3+])CCCCC1 3030638 168082348 /nfs/dbraw/zinc/08/23/48/168082348.db2.gz KRDTUMQGDPZWMF-UHFFFAOYSA-N 1 0 157.213 0.821 50 0 in-vitro ACAARO COC(=O)C1([C@@H]2CCC[NH2+]C2)CC1 107345688 168082453 /nfs/dbraw/zinc/08/24/53/168082453.db2.gz VJOQKZVTOHMFOC-MRVPVSSYSA-N 1 0 183.251 0.939 50 0 ACAARO COC(=O)C12CC([NH3+])(C1)C2 38847100 168082466 /nfs/dbraw/zinc/08/24/66/168082466.db2.gz IIYIKAGIHQBRNZ-UHFFFAOYSA-N 1 0 141.170 0.041 50 0 in-vitro ACAARO COC(=O)C1([NH3+])CCCC1 54320219 168082472 /nfs/dbraw/zinc/08/24/72/168082472.db2.gz VLNNACMZTDZCFH-UHFFFAOYSA-N 1 0 143.186 0.431 50 0 biogenic,in-vitro ACAARO COC(=O)C1(F)CC[NH2+]CC1 32915041 168082478 /nfs/dbraw/zinc/08/24/78/168082478.db2.gz PDSCNOUWHCVUQV-UHFFFAOYSA-N 1 0 161.176 0.251 50 0 ACAARO COC(=O)C1([C@H]2CCC[NH2+]C2)CC1 107345690 168082550 /nfs/dbraw/zinc/08/25/50/168082550.db2.gz VJOQKZVTOHMFOC-QMMMGPOBSA-N 1 0 183.251 0.939 50 0 ACAARO COC(=O)C12CC[NH+](CC1)CC2 34370434 168082559 /nfs/dbraw/zinc/08/25/59/168082559.db2.gz IEVLTLPETASBIA-UHFFFAOYSA-N 1 0 169.224 0.645 50 0 in-vitro ACAARO COC(=O)C12CCC[NH+]1CCC2 1859819 168082588 /nfs/dbraw/zinc/08/25/88/168082588.db2.gz HBZKVVLPFLBBNV-UHFFFAOYSA-N 1 0 169.224 0.788 50 0 ACAARO COC(=O)C1CCC(O)(C[NH3+])CC1 82238050 168082993 /nfs/dbraw/zinc/08/29/93/168082993.db2.gz QTUWTQFAYWPGML-UHFFFAOYSA-N 1 0 187.239 0.039 50 0 ACAARO COC(=O)C1=CC[C@H]([NH3+])C1 39083064 168083063 /nfs/dbraw/zinc/08/30/63/168083063.db2.gz BWFMMNJHYGFLAU-LURJTMIESA-N 1 0 141.170 0.207 50 0 in-vitro ACAARO COC(=O)C1CCC([NH3+])CC1 1728277 168083233 /nfs/dbraw/zinc/08/32/33/168083233.db2.gz FFKGMXGWLOPOAO-UHFFFAOYSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)C1=CC[C@@H]2CC[C@H]1[N@@H+]2C 53223985 168083460 /nfs/dbraw/zinc/08/34/60/168083460.db2.gz MPSNEAHFGOEKBI-VXNVDRBHSA-N 1 0 181.235 0.952 50 0 in-vitro ACAARO COC(=O)C1CCC(C[NH3+])CC1 86677 168083515 /nfs/dbraw/zinc/08/35/15/168083515.db2.gz NSIXHHAVJIMVTD-UHFFFAOYSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)C1=NOC2(CC[NH2+]CC2)C1 95348099 168083587 /nfs/dbraw/zinc/08/35/87/168083587.db2.gz HMYFWMSOVPGNGT-UHFFFAOYSA-N 1 0 198.222 0.058 50 0 in-vitro ACAARO COC(=O)C1=CC[C@@H]([NH3+])C1 39083066 168083611 /nfs/dbraw/zinc/08/36/11/168083611.db2.gz BWFMMNJHYGFLAU-ZCFIWIBFSA-N 1 0 141.170 0.207 50 0 in-vitro ACAARO COC(=O)C1CC(C[NH3+])C1 169799747 168083682 /nfs/dbraw/zinc/08/36/82/168083682.db2.gz NEPQUZNQTHTYJM-UHFFFAOYSA-N 1 0 143.186 0.144 50 0 ACAARO COC(=O)C1CC[NH+](C)CC1 33721132 168083736 /nfs/dbraw/zinc/08/37/36/168083736.db2.gz KYAOKPRJTMFBTQ-UHFFFAOYSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO COC(=O)C1C[NH+](CC2CC2)C1 74937931 168083785 /nfs/dbraw/zinc/08/37/85/168083785.db2.gz YACLUEGFRFKJJM-UHFFFAOYSA-N 1 0 169.224 0.501 50 0 in-vitro ACAARO COC(=O)C=C1CC[NH+](C)CC1 67175788 168084131 /nfs/dbraw/zinc/08/41/31/168084131.db2.gz SBFUSEORPMHJFT-UHFFFAOYSA-N 1 0 169.224 0.811 50 0 in-vitro ACAARO COC(=O)C1CC[NH2+]CC1 403131 168084319 /nfs/dbraw/zinc/08/43/19/168084319.db2.gz RZVWBASHHLFBJF-UHFFFAOYSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO COC(=O)C1CC2(CC([NH3+])C2)C1 32628931 168084372 /nfs/dbraw/zinc/08/43/72/168084372.db2.gz JBPHEHKXYOVGBC-UHFFFAOYSA-N 1 0 169.224 0.677 50 0 ACAARO COC(=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2 85224643 168084423 /nfs/dbraw/zinc/08/44/23/168084423.db2.gz RYWPBJUZHWNQGP-IEESLHIDSA-N 1 0 169.224 0.690 50 0 in-vitro ACAARO COC(=O)CC1(C[NH3+])CCOCC1 85113094 168084598 /nfs/dbraw/zinc/08/45/98/168084598.db2.gz PVLIJGXYLSKIJI-UHFFFAOYSA-N 1 0 187.239 0.305 50 0 in-vitro ACAARO COC(=O)CCC1CC[NH2+]CC1 33487604 168084828 /nfs/dbraw/zinc/08/48/28/168084828.db2.gz FGTFCEJPMHOBDS-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO COC(=O)CCCCC[NH3+] 2168183 168084957 /nfs/dbraw/zinc/08/49/57/168084957.db2.gz TZJVWRXHKAXSEA-UHFFFAOYSA-N 1 0 145.202 0.679 50 0 ACAARO COC(=O)CCC(C)(C)[NH3+] 50197385 168085087 /nfs/dbraw/zinc/08/50/87/168085087.db2.gz ACAWIJLJSWFILZ-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO COC(=O)CC1([NH3+])CCOCC1 12650243 168085260 /nfs/dbraw/zinc/08/52/60/168085260.db2.gz GQUKUDVUDSFVIG-UHFFFAOYSA-N 1 0 173.212 0.057 50 0 in-vitro ACAARO COC(=O)CCCC[NH3+] 13356320 168085530 /nfs/dbraw/zinc/08/55/30/168085530.db2.gz ULBCJDXDVAJYNI-UHFFFAOYSA-N 1 0 131.175 0.288 50 0 in-vitro ACAARO COC(=O)CC1([NH3+])CCC1 72294349 168085836 /nfs/dbraw/zinc/08/58/36/168085836.db2.gz KCFKMNXXKRIIQQ-UHFFFAOYSA-N 1 0 143.186 0.431 50 0 in-vitro ACAARO COC(=O)CC1CC[NH+](C)CC1 38339261 168085908 /nfs/dbraw/zinc/08/59/08/168085908.db2.gz BMFMUHLTSDBYKC-UHFFFAOYSA-N 1 0 171.240 0.891 50 0 in-vitro ACAARO COC(=O)CC1([NH3+])CC1 85210230 168086016 /nfs/dbraw/zinc/08/60/16/168086016.db2.gz ULMBPGYSCZOWNE-UHFFFAOYSA-N 1 0 129.159 0.041 50 0 in-vitro ACAARO COC(=O)CC1CC[NH2+]CC1 4682876 168086066 /nfs/dbraw/zinc/08/60/66/168086066.db2.gz VOUIHMBRJVKANW-UHFFFAOYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)CC(C)(C)[NH3+] 59969019 168086082 /nfs/dbraw/zinc/08/60/82/168086082.db2.gz JOTOUSGKSPPFQF-UHFFFAOYSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO COC(=O)CC1([NH3+])CCSCC1 84349423 168086142 /nfs/dbraw/zinc/08/61/42/168086142.db2.gz XTWMKSKKFUUVKL-UHFFFAOYSA-N 1 0 189.280 0.774 50 0 in-vitro ACAARO COC(=O)CC[NH2+]C1CCOCC1 36304632 168086516 /nfs/dbraw/zinc/08/65/16/168086516.db2.gz PGIDVGDAPLULBT-UHFFFAOYSA-N 1 0 187.239 0.318 50 0 in-vitro ACAARO COC(=O)CC[NH+]1CCC(O)CC1 20303455 168086521 /nfs/dbraw/zinc/08/65/21/168086521.db2.gz BMOZRIPGPNWTIO-UHFFFAOYSA-N 1 0 187.239 0.006 50 0 ACAARO COC(=O)CC[NH2+]C(C)(C)C 19736888 168086727 /nfs/dbraw/zinc/08/67/27/168086727.db2.gz CIBNTQBXUHZSEB-UHFFFAOYSA-N 1 0 159.229 0.938 50 0 ACAARO COC(=O)CC[NH+]1CCC1 1756759 168086804 /nfs/dbraw/zinc/08/68/04/168086804.db2.gz RDELIYPIRSMXOH-UHFFFAOYSA-N 1 0 143.186 0.255 50 0 ACAARO COC(=O)CC[NH2+]C[C@H]1CCCO1 19736902 168086824 /nfs/dbraw/zinc/08/68/24/168086824.db2.gz AKQVSTFBBJAHGJ-MRVPVSSYSA-N 1 0 187.239 0.318 50 0 in-vitro ACAARO COC(=O)CC[NH2+]CC(C)C 36379452 168086925 /nfs/dbraw/zinc/08/69/25/168086925.db2.gz QLXUBTFTMFEBAD-UHFFFAOYSA-N 1 0 159.229 0.795 50 0 in-vitro ACAARO COC(=O)CCOC[C@@H]1CC[NH2+]C1 42774333 168086990 /nfs/dbraw/zinc/08/69/90/168086990.db2.gz IMBFZWORPYLRDZ-MRVPVSSYSA-N 1 0 187.239 0.176 50 0 ACAARO COC(=O)CC[NH2+]C(C)C 19736919 168087100 /nfs/dbraw/zinc/08/71/00/168087100.db2.gz CDMLINZNKOVCCN-UHFFFAOYSA-N 1 0 145.202 0.548 50 0 in-vitro ACAARO COC(=O)CC[NH2+]Cc1ccncc1 36888735 168087417 /nfs/dbraw/zinc/08/74/17/168087417.db2.gz JJAFFBYTWQDDTL-UHFFFAOYSA-N 1 0 194.234 0.734 50 0 in-vitro ACAARO COC(=O)CC[NH+]1CCCC1 5700852 168087461 /nfs/dbraw/zinc/08/74/61/168087461.db2.gz JHYKOXJKJHTKTE-UHFFFAOYSA-N 1 0 157.213 0.645 50 0 in-vitro ACAARO COC(=O)CC[NH2+]C1CC1 36667787 168087518 /nfs/dbraw/zinc/08/75/18/168087518.db2.gz IXRSFGOAMNXZBZ-UHFFFAOYSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO COC(=O)CCOC1CC[NH2+]CC1 39090266 168087547 /nfs/dbraw/zinc/08/75/47/168087547.db2.gz GUHPKFSCJOJZRE-UHFFFAOYSA-N 1 0 187.239 0.318 50 0 ACAARO COC(=O)CC[NH2+]C[C@@H]1CCCO1 19736901 168087612 /nfs/dbraw/zinc/08/76/12/168087612.db2.gz AKQVSTFBBJAHGJ-QMMMGPOBSA-N 1 0 187.239 0.318 50 0 in-vitro ACAARO COC(=O)CC[NH2+]CCn1cccn1 40162899 168087641 /nfs/dbraw/zinc/08/76/41/168087641.db2.gz UEJORJUTBMPXKP-UHFFFAOYSA-N 1 0 197.238 0.036 50 0 ACAARO COC(=O)CCOC[C@H]1CC[NH2+]C1 42774337 168087763 /nfs/dbraw/zinc/08/77/63/168087763.db2.gz IMBFZWORPYLRDZ-QMMMGPOBSA-N 1 0 187.239 0.176 50 0 ACAARO COC(=O)CC[NH2+]Cc1ccco1 19736923 168088030 /nfs/dbraw/zinc/08/80/30/168088030.db2.gz FXFIQQVFTVFWOS-UHFFFAOYSA-N 1 0 183.207 0.932 50 0 ACAARO COC(=O)CC[NH2+]Cc1ccccn1 36888732 168088064 /nfs/dbraw/zinc/08/80/64/168088064.db2.gz ALRWTNKOLYFPNP-UHFFFAOYSA-N 1 0 194.234 0.734 50 0 ACAARO COC(=O)CC[NH+](C)C 407086 168088136 /nfs/dbraw/zinc/08/81/36/168088136.db2.gz VSFJOMFYABROHQ-UHFFFAOYSA-N 1 0 131.175 0.111 50 0 ACAARO COC(=O)CC[NH2+]Cc1cccnc1 19736870 168088190 /nfs/dbraw/zinc/08/81/90/168088190.db2.gz VICHRUIARTZWPL-UHFFFAOYSA-N 1 0 194.234 0.734 50 0 in-vitro ACAARO COC(=O)CCO[C@H]1CCC[NH2+]C1 42783058 168088225 /nfs/dbraw/zinc/08/82/25/168088225.db2.gz KFOZOUKDSDGPJN-QMMMGPOBSA-N 1 0 187.239 0.318 50 0 ACAARO COC(=O)CCO[C@@H]1CCC[NH2+]C1 42783057 168088326 /nfs/dbraw/zinc/08/83/26/168088326.db2.gz KFOZOUKDSDGPJN-MRVPVSSYSA-N 1 0 187.239 0.318 50 0 ACAARO COC(=O)CC[C@H]1CCC[NH2+]C1 14987862 168088992 /nfs/dbraw/zinc/08/89/92/168088992.db2.gz VJCAJSGDZGKOBU-MRVPVSSYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO COC(=O)CC[C@@H]1CCC[NH2+]C1 14987859 168089012 /nfs/dbraw/zinc/08/90/12/168089012.db2.gz VJCAJSGDZGKOBU-QMMMGPOBSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO COC(=O)CCS[C@H]1CC[NH2+]C1 51784116 168089152 /nfs/dbraw/zinc/08/91/52/168089152.db2.gz FMTKTSKGVHLASD-ZETCQYMHSA-N 1 0 189.280 0.645 50 0 ACAARO COC(=O)CCSCC[NH3+] 36336261 168089275 /nfs/dbraw/zinc/08/92/75/168089275.db2.gz LARGPGMAIZMTGP-UHFFFAOYSA-N 1 0 163.242 0.241 50 0 ACAARO COC(=O)CC[C@H]1CC[NH2+]C1 77020739 168089606 /nfs/dbraw/zinc/08/96/06/168089606.db2.gz IGDJQOWNEAVMDD-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)CCS[C@@H]1CC[NH2+]C1 51784115 168089613 /nfs/dbraw/zinc/08/96/13/168089613.db2.gz FMTKTSKGVHLASD-SSDOTTSWSA-N 1 0 189.280 0.645 50 0 ACAARO COC(=O)CCSC1C[NH2+]C1 54931799 168090271 /nfs/dbraw/zinc/09/02/71/168090271.db2.gz BVBZJVHLWGPHBB-UHFFFAOYSA-N 1 0 175.253 0.255 50 0 ACAARO COC(=O)CN1CCSC1=[NH2+] 2454574 168091051 /nfs/dbraw/zinc/09/10/51/168091051.db2.gz CGXRZECJZLGZEH-UHFFFAOYSA-N 1 0 174.225 0.143 50 0 ACAARO COC(=O)CNC1=[NH+]CCCCC1 40163977 168091140 /nfs/dbraw/zinc/09/11/40/168091140.db2.gz SAVRHDGMVUAWMN-UHFFFAOYSA-N 1 0 184.239 0.722 50 0 ACAARO COC(=O)COc1cccc(C[NH3+])c1 19722807 168093126 /nfs/dbraw/zinc/09/31/26/168093126.db2.gz HUXMCFLTUUEWMA-UHFFFAOYSA-N 1 0 195.218 0.697 50 0 in-vitro ACAARO COC(=O)CSC1CC[NH2+]CC1 43501282 168093487 /nfs/dbraw/zinc/09/34/87/168093487.db2.gz AVLPFVKIWBCCOE-UHFFFAOYSA-N 1 0 189.280 0.645 50 0 ACAARO COC(=O)COc1ccccc1C[NH3+] 37490437 168093727 /nfs/dbraw/zinc/09/37/27/168093727.db2.gz VBWGACGQUZAWFM-UHFFFAOYSA-N 1 0 195.218 0.697 50 0 ACAARO COC(=O)C[C@@H]1CSCC[NH2+]1 68577349 168094273 /nfs/dbraw/zinc/09/42/73/168094273.db2.gz WSNTWKJQAMVODS-ZCFIWIBFSA-N 1 0 175.253 0.255 50 0 ACAARO COC(=O)C[C@@H]([NH3+])C1CCC1 87585529 168094301 /nfs/dbraw/zinc/09/43/01/168094301.db2.gz BONKZIKOKDQSMB-SSDOTTSWSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)C[C@@H]([NH3+])C(C)(C)C 44139043 168094403 /nfs/dbraw/zinc/09/44/03/168094403.db2.gz UKOFUFBBXOWCNO-ZCFIWIBFSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])c1ccc(O)cc1 95637999 168094539 /nfs/dbraw/zinc/09/45/39/168094539.db2.gz NNIQEIHSKHWXLM-SECBINFHSA-N 1 0 195.218 0.955 50 0 in-vitro ACAARO COC(=O)CS[C@@H]1CC[NH2+]C1 51784118 168094668 /nfs/dbraw/zinc/09/46/68/168094668.db2.gz RDORTHXTYOIINF-ZCFIWIBFSA-N 1 0 175.253 0.255 50 0 ACAARO COC(=O)C[C@@H]([NH3+])c1ccccn1 57353616 168094701 /nfs/dbraw/zinc/09/47/01/168094701.db2.gz RDWYWFGIODKUFS-SSDOTTSWSA-N 1 0 180.207 0.645 50 0 ACAARO COC(=O)C[C@@H]1CC[NH2+]C1 26898410 168094776 /nfs/dbraw/zinc/09/47/76/168094776.db2.gz QKONQSPVWNDJJQ-LURJTMIESA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])c1cccnc1 57353603 168094890 /nfs/dbraw/zinc/09/48/90/168094890.db2.gz PNXGVJAVPWMYRQ-MRVPVSSYSA-N 1 0 180.207 0.645 50 0 in-vitro ACAARO COC(=O)C[C@@](C)([NH3+])c1ccncc1 86851426 168095084 /nfs/dbraw/zinc/09/50/84/168095084.db2.gz MCQWPQSPVCNQAJ-SNVBAGLBSA-N 1 0 194.234 0.819 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])c1cccc(O)c1 4298870 168095224 /nfs/dbraw/zinc/09/52/24/168095224.db2.gz PUTQBYLORMXXFS-SECBINFHSA-N 1 0 195.218 0.955 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])C1CC1 51690870 168095264 /nfs/dbraw/zinc/09/52/64/168095264.db2.gz DBXORJHKYZODNO-ZCFIWIBFSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)C[C@@H]1CCC[NH2+]C1 2243503 168095343 /nfs/dbraw/zinc/09/53/43/168095343.db2.gz QDBQVCNGVFMIMU-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)CS[C@H]1CC[NH2+]C1 51784119 168095425 /nfs/dbraw/zinc/09/54/25/168095425.db2.gz RDORTHXTYOIINF-LURJTMIESA-N 1 0 175.253 0.255 50 0 ACAARO COC(=O)C[C@@H]([NH3+])c1ccncc1 57353607 168095478 /nfs/dbraw/zinc/09/54/78/168095478.db2.gz KZOZDDREXRFZJK-MRVPVSSYSA-N 1 0 180.207 0.645 50 0 in-vitro ACAARO COC(=O)C[C@@]1([NH3+])CCCOC1 84332483 168095546 /nfs/dbraw/zinc/09/55/46/168095546.db2.gz ZTOUZARIOOFVOE-QMMMGPOBSA-N 1 0 173.212 0.057 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])CC(C)C 39135459 168095563 /nfs/dbraw/zinc/09/55/63/168095563.db2.gz LLLSCIXQSDYKEB-ZETCQYMHSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)C[C@@](C)([NH3+])C(C)C 17503474 168095649 /nfs/dbraw/zinc/09/56/49/168095649.db2.gz NPVHOSKWGXNBKQ-MRVPVSSYSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)C[C@@](C)([NH3+])c1cccnc1 86851566 168095658 /nfs/dbraw/zinc/09/56/58/168095658.db2.gz DYHARZDAZLIGHV-SNVBAGLBSA-N 1 0 194.234 0.819 50 0 in-vitro ACAARO COC(=O)C[C@@H]([NH3+])C(C)C 34617681 168095748 /nfs/dbraw/zinc/09/57/48/168095748.db2.gz VSYRRAKUNWIGRY-ZCFIWIBFSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO COC(=O)C[C@@H]1CCC[NH2+]1 14684366 168095779 /nfs/dbraw/zinc/09/57/79/168095779.db2.gz QVQOWGPBRKRAOW-LURJTMIESA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])C(C)C 44139022 168096238 /nfs/dbraw/zinc/09/62/38/168096238.db2.gz VSYRRAKUNWIGRY-LURJTMIESA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO COC(=O)C[C@H]1CCC[NH2+]1 14684367 168096299 /nfs/dbraw/zinc/09/62/99/168096299.db2.gz QVQOWGPBRKRAOW-ZCFIWIBFSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO COC(=O)C[C@](C)([NH3+])c1cccnc1 86851568 168096383 /nfs/dbraw/zinc/09/63/83/168096383.db2.gz DYHARZDAZLIGHV-JTQLQIEISA-N 1 0 194.234 0.819 50 0 in-vitro ACAARO COC(=O)C[C@H]1CCC[NH2+]C1 2243504 168096391 /nfs/dbraw/zinc/09/63/91/168096391.db2.gz QDBQVCNGVFMIMU-SSDOTTSWSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)C[C@]1([NH3+])CCCOC1 84332480 168096395 /nfs/dbraw/zinc/09/63/95/168096395.db2.gz ZTOUZARIOOFVOE-MRVPVSSYSA-N 1 0 173.212 0.057 50 0 in-vitro ACAARO COC(=O)C[C@](C)([NH3+])c1ccncc1 86851428 168096487 /nfs/dbraw/zinc/09/64/87/168096487.db2.gz MCQWPQSPVCNQAJ-JTQLQIEISA-N 1 0 194.234 0.819 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])c1ccc(O)cc1 95638298 168096550 /nfs/dbraw/zinc/09/65/50/168096550.db2.gz NNIQEIHSKHWXLM-VIFPVBQESA-N 1 0 195.218 0.955 50 0 in-vitro ACAARO COC(=O)C[C@H]1CC[NH2+]C1 26898413 168096586 /nfs/dbraw/zinc/09/65/86/168096586.db2.gz QKONQSPVWNDJJQ-ZCFIWIBFSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO COC(=O)C[C@](C)([NH3+])C(C)C 17503476 168096663 /nfs/dbraw/zinc/09/66/63/168096663.db2.gz NPVHOSKWGXNBKQ-QMMMGPOBSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)C[C@H]([NH3+])C(C)(C)C 44139041 168096689 /nfs/dbraw/zinc/09/66/89/168096689.db2.gz UKOFUFBBXOWCNO-LURJTMIESA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])c1ccncc1 57353605 168096747 /nfs/dbraw/zinc/09/67/47/168096747.db2.gz KZOZDDREXRFZJK-QMMMGPOBSA-N 1 0 180.207 0.645 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])c1cccc(O)c1 4298869 168096788 /nfs/dbraw/zinc/09/67/88/168096788.db2.gz PUTQBYLORMXXFS-VIFPVBQESA-N 1 0 195.218 0.955 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])c1cccnc1 57353601 168096814 /nfs/dbraw/zinc/09/68/14/168096814.db2.gz PNXGVJAVPWMYRQ-QMMMGPOBSA-N 1 0 180.207 0.645 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])CC(C)C 39135460 168096873 /nfs/dbraw/zinc/09/68/73/168096873.db2.gz LLLSCIXQSDYKEB-SSDOTTSWSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)C[C@H]([NH3+])c1ccccn1 57353614 168096887 /nfs/dbraw/zinc/09/68/87/168096887.db2.gz RDWYWFGIODKUFS-ZETCQYMHSA-N 1 0 180.207 0.645 50 0 ACAARO COC(=O)C[C@H]([NH3+])C1CC1 51690869 168096988 /nfs/dbraw/zinc/09/69/88/168096988.db2.gz DBXORJHKYZODNO-LURJTMIESA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)C[C@H]([NH3+])C1CCC1 87585528 168097156 /nfs/dbraw/zinc/09/71/56/168097156.db2.gz BONKZIKOKDQSMB-ZETCQYMHSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)C[C@H]1CCCC[NH2+]1 5669563 168097341 /nfs/dbraw/zinc/09/73/41/168097341.db2.gz KNLRJTRKAHPHEE-SSDOTTSWSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO COC(=O)Cc1ccc(C[NH3+])s1 88613683 168097363 /nfs/dbraw/zinc/09/73/63/168097363.db2.gz TUOYZTHDLVIWLM-UHFFFAOYSA-N 1 0 185.248 0.922 50 0 in-vitro ACAARO COC(=O)C[C@H]1CSCC[NH2+]1 68577351 168097373 /nfs/dbraw/zinc/09/73/73/168097373.db2.gz WSNTWKJQAMVODS-LURJTMIESA-N 1 0 175.253 0.255 50 0 ACAARO COC(=O)Cc1ccc(C[NH3+])cc1 4202810 168097422 /nfs/dbraw/zinc/09/74/22/168097422.db2.gz OCICDTOQZOSSQU-UHFFFAOYSA-N 1 0 179.219 0.861 50 0 in-vitro ACAARO COC(=O)Cc1csc(C[NH3+])n1 11887383 168098144 /nfs/dbraw/zinc/09/81/44/168098144.db2.gz DIWYCZDQSIMCEJ-UHFFFAOYSA-N 1 0 186.236 0.317 50 0 ACAARO COC(=O)Cn1nc(C)c(C[NH3+])c1C 36868336 168098358 /nfs/dbraw/zinc/09/83/58/168098358.db2.gz NVZHOFNQAIXUAH-UHFFFAOYSA-N 1 0 197.238 0.132 50 0 ACAARO COC(=O)N(CC[NH3+])C(C)C 41056162 168098827 /nfs/dbraw/zinc/09/88/27/168098827.db2.gz IXSRGSVTSBVJHG-UHFFFAOYSA-N 1 0 160.217 0.422 50 0 ACAARO COC(=O)Cc1cccc(C[NH3+])c1 95837054 168099114 /nfs/dbraw/zinc/09/91/14/168099114.db2.gz SODIELMLQMRCBL-UHFFFAOYSA-N 1 0 179.219 0.861 50 0 ACAARO COC(=O)Cc1ccccc1C[NH3+] 4202817 168099160 /nfs/dbraw/zinc/09/91/60/168099160.db2.gz YKPHDCVTZKWWRK-UHFFFAOYSA-N 1 0 179.219 0.861 50 0 in-vitro ACAARO COC(=O)N1CCC([NH3+])CC1 19815563 168099827 /nfs/dbraw/zinc/09/98/27/168099827.db2.gz KFWGZKDLWYAABS-UHFFFAOYSA-N 1 0 158.201 0.176 50 0 in-vitro ACAARO COC(=O)N1CCC[C@H]([NH3+])C1 39088090 168099846 /nfs/dbraw/zinc/09/98/46/168099846.db2.gz QSPHDAVASCLQCU-LURJTMIESA-N 1 0 158.201 0.176 50 0 in-vitro ACAARO COC(=O)N1CCC([C@@H](C)[NH3+])CC1 82474881 168100106 /nfs/dbraw/zinc/10/01/06/168100106.db2.gz JLMHKIQMIXYZQD-SSDOTTSWSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CC[C@H](C[NH3+])C1 50246412 168100438 /nfs/dbraw/zinc/10/04/38/168100438.db2.gz CSHBJCPDOQRAEV-ZCFIWIBFSA-N 1 0 158.201 0.033 50 0 in-vitro ACAARO COC(=O)N1CCC[C@@H]([NH3+])C1 39088091 168100603 /nfs/dbraw/zinc/10/06/03/168100603.db2.gz QSPHDAVASCLQCU-ZCFIWIBFSA-N 1 0 158.201 0.176 50 0 in-vitro ACAARO COC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 69725402 168100606 /nfs/dbraw/zinc/10/06/06/168100606.db2.gz CXNJKIHUDPWFJO-SFYZADRCSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CCC(C[NH3+])CC1 44513139 168100620 /nfs/dbraw/zinc/10/06/20/168100620.db2.gz KJQNLRXEEPUTIM-UHFFFAOYSA-N 1 0 172.228 0.424 50 0 in-vitro ACAARO COC(=O)N1CC[C@@H](C[NH3+])C1 50246413 168100641 /nfs/dbraw/zinc/10/06/41/168100641.db2.gz CSHBJCPDOQRAEV-LURJTMIESA-N 1 0 158.201 0.033 50 0 in-vitro ACAARO COC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 69725400 168100650 /nfs/dbraw/zinc/10/06/50/168100650.db2.gz CXNJKIHUDPWFJO-YUMQZZPRSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 69725395 168100796 /nfs/dbraw/zinc/10/07/96/168100796.db2.gz CXNJKIHUDPWFJO-JGVFFNPUSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CCC([C@H](C)[NH3+])CC1 82474880 168100984 /nfs/dbraw/zinc/10/09/84/168100984.db2.gz JLMHKIQMIXYZQD-ZETCQYMHSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 69725397 168101094 /nfs/dbraw/zinc/10/10/94/168101094.db2.gz CXNJKIHUDPWFJO-HTQZYQBOSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO COC(=O)N1CCC[NH2+]CC1 19815556 168101292 /nfs/dbraw/zinc/10/12/92/168101292.db2.gz SKOUREWVKIVTEP-UHFFFAOYSA-N 1 0 158.201 0.048 50 0 in-vitro ACAARO COC(=O)NC1CC[NH2+]CC1 19816302 168101829 /nfs/dbraw/zinc/10/18/29/168101829.db2.gz CBZBASXHQRREBQ-UHFFFAOYSA-N 1 0 158.201 0.094 50 0 in-vitro ACAARO COC(=O)NCC[C@H]1CCCC[NH2+]1 19816384 168102033 /nfs/dbraw/zinc/10/20/33/168102033.db2.gz CWJYPPMHLRZGPA-MRVPVSSYSA-N 1 0 186.255 0.875 50 0 ACAARO COC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C 35803422 168102440 /nfs/dbraw/zinc/10/24/40/168102440.db2.gz PKLKJOHNINGLAQ-NKWVEPMBSA-N 1 0 172.228 0.340 50 0 ACAARO COC(=O)NCC[C@@H]1CCCC[NH2+]1 19816382 168102473 /nfs/dbraw/zinc/10/24/73/168102473.db2.gz CWJYPPMHLRZGPA-QMMMGPOBSA-N 1 0 186.255 0.875 50 0 ACAARO COC(=O)[C@@H](C)C1CC[NH2+]CC1 33487598 168104176 /nfs/dbraw/zinc/10/41/76/168104176.db2.gz LCIWBZVLPYHUCC-ZETCQYMHSA-N 1 0 171.240 0.795 50 0 ACAARO COC(=O)[C@@H](C)CC[NH3+] 34295271 168104404 /nfs/dbraw/zinc/10/44/04/168104404.db2.gz RLQGFMIEMSPTCP-YFKPBYRVSA-N 1 0 131.175 0.144 50 0 ACAARO COC(=O)[C@@H](C)C[NH+](C)C 3860757 168105013 /nfs/dbraw/zinc/10/50/13/168105013.db2.gz DDLJXUCYCFDNCA-LURJTMIESA-N 1 0 145.202 0.357 50 0 in-vitro ACAARO COC(=O)[C@@H](C)C[NH2+]C1CC1 35133565 168105648 /nfs/dbraw/zinc/10/56/48/168105648.db2.gz QHAAIMCXBARGQQ-LURJTMIESA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO COC(=O)[C@@H](C)C[NH+]1CCCC1 6020731 168105716 /nfs/dbraw/zinc/10/57/16/168105716.db2.gz CKYVYVAZNCMKAO-QMMMGPOBSA-N 1 0 171.240 0.891 50 0 ACAARO COC(=O)[C@@H](C)[NH+]1CCCC1 22122931 168106163 /nfs/dbraw/zinc/10/61/63/168106163.db2.gz BCYHICYAWLIZRU-SSDOTTSWSA-N 1 0 157.213 0.644 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])Cc1ccccc1 4312860 168106648 /nfs/dbraw/zinc/10/66/48/168106648.db2.gz QOEALULCQUCMOP-SNVBAGLBSA-N 1 0 193.246 0.977 50 0 ACAARO COC(=O)[C@@H]([NH3+])C1CCCC1 16698104 168106685 /nfs/dbraw/zinc/10/66/85/168106685.db2.gz ZGQSMYWOPKCARZ-ZETCQYMHSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)[C@@H]([NH3+])C1CCC1 38531456 168106851 /nfs/dbraw/zinc/10/68/51/168106851.db2.gz WPMQPLHPHZACOB-LURJTMIESA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)[C@@H]([NH3+])C1CCSCC1 35629963 168106961 /nfs/dbraw/zinc/10/69/61/168106961.db2.gz CAQGEFRXSFRKJL-ZETCQYMHSA-N 1 0 189.280 0.630 50 0 ACAARO COC(=O)[C@@H](C[NH3+])C(F)(F)F 16159510 168107036 /nfs/dbraw/zinc/10/70/36/168107036.db2.gz IWNHSPZURKMJSI-GSVOUGTGSA-N 1 0 171.118 0.297 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])C[C@H]1CCOC1 51691072 168107208 /nfs/dbraw/zinc/10/72/08/168107208.db2.gz LNQSCMIIRUHLMG-HTQZYQBOSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])C1CCOCC1 58038103 168107219 /nfs/dbraw/zinc/10/72/19/168107219.db2.gz PPSCZQNAABSBIB-QMMMGPOBSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@@H]([NH3+])C(C)C 54954741 168107502 /nfs/dbraw/zinc/10/75/02/168107502.db2.gz CEMZBWPSKYISTN-YFKPBYRVSA-N 1 0 131.175 0.143 50 0 biogenic,in-vitro ACAARO COC(=O)[C@@H](C[NH3+])Cc1ccncc1 20579275 168107902 /nfs/dbraw/zinc/10/79/02/168107902.db2.gz IYTJYJGDNLHZGQ-SECBINFHSA-N 1 0 194.234 0.372 50 0 ACAARO COC(=O)[C@@H](C[NH3+])CC(C)C 51690115 168107933 /nfs/dbraw/zinc/10/79/33/168107933.db2.gz QVGZFUGCZDERGY-SSDOTTSWSA-N 1 0 159.229 0.780 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])c1ccccc1 4312854 168108196 /nfs/dbraw/zinc/10/81/96/168108196.db2.gz WSDDSIXJNPGPSI-VIFPVBQESA-N 1 0 179.219 0.902 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])C[C@@H]1CCOC1 51691069 168108331 /nfs/dbraw/zinc/10/83/31/168108331.db2.gz LNQSCMIIRUHLMG-JGVFFNPUSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@@H](C[NH3+])CC1CC1 51690882 168108425 /nfs/dbraw/zinc/10/84/25/168108425.db2.gz NGHAGYNCPJUSJE-SSDOTTSWSA-N 1 0 157.213 0.534 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC=CC[C@H]1[NH3+] 71495154 168109276 /nfs/dbraw/zinc/10/92/76/168109276.db2.gz PIPIDLZHXZUHIZ-RNFRBKRXSA-N 1 0 155.197 0.453 50 0 ACAARO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2C 75629465 168109292 /nfs/dbraw/zinc/10/92/92/168109292.db2.gz WXEMSGQRTGSYOG-FJXKBIBVSA-N 1 0 197.234 0.211 50 0 ACAARO COC(=O)[C@@H]1CC=CC[C@@H]1[NH3+] 71495152 168109515 /nfs/dbraw/zinc/10/95/15/168109515.db2.gz PIPIDLZHXZUHIZ-RQJHMYQMSA-N 1 0 155.197 0.453 50 0 ACAARO COC(=O)[C@@H](O)[C@H]([NH3+])c1ccccc1 34382952 168109534 /nfs/dbraw/zinc/10/95/34/168109534.db2.gz WZPZWAQKLOPJEL-BDAKNGLRSA-N 1 0 195.218 0.220 50 0 in-vitro ACAARO COC(=O)[C@@H]1C=C[C@H]([NH3+])C1 39083093 168109858 /nfs/dbraw/zinc/10/98/58/168109858.db2.gz ANVYHALMQXHQSG-RITPCOANSA-N 1 0 141.170 0.063 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC(C)(C)C[NH2+]1 39115664 168110081 /nfs/dbraw/zinc/11/00/81/168110081.db2.gz PAZXLLAOBQGLGF-LURJTMIESA-N 1 0 157.213 0.548 50 0 ACAARO COC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 39334145 168110395 /nfs/dbraw/zinc/11/03/95/168110395.db2.gz ANVYHALMQXHQSG-PHDIDXHHSA-N 1 0 141.170 0.063 50 0 ACAARO COC(=O)[C@@H]1CC12CC[NH2+]CC2 68591606 168110407 /nfs/dbraw/zinc/11/04/07/168110407.db2.gz IJFYZUROYVOFQX-ZETCQYMHSA-N 1 0 169.224 0.549 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC(C)(C)[NH2+]C1 95643205 168110707 /nfs/dbraw/zinc/11/07/07/168110707.db2.gz ZSZCHXGCKWYCSB-SSDOTTSWSA-N 1 0 171.240 0.938 50 0 ACAARO COC(=O)[C@@H]1CCC2(CC[NH2+]CC2)O1 95743313 168110810 /nfs/dbraw/zinc/11/08/10/168110810.db2.gz NCSRJGIZUGMRQE-QMMMGPOBSA-N 1 0 199.250 0.461 50 0 ACAARO COC(=O)[C@@H]1CCCC[C@H]1C[NH3+] 83825533 168110845 /nfs/dbraw/zinc/11/08/45/168110845.db2.gz MMZFVMGKNMIQMM-JGVFFNPUSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)[C@@H]1CCCC[C@H]1[NH3+] 20216345 168110869 /nfs/dbraw/zinc/11/08/69/168110869.db2.gz SUYHWZRODJBJER-RNFRBKRXSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] 83825529 168110912 /nfs/dbraw/zinc/11/09/12/168110912.db2.gz MMZFVMGKNMIQMM-HTQZYQBOSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 20216341 168110933 /nfs/dbraw/zinc/11/09/33/168110933.db2.gz SUYHWZRODJBJER-RQJHMYQMSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 74937938 168111137 /nfs/dbraw/zinc/11/11/37/168111137.db2.gz VUSQBNNLIDLIBW-WDSKDSINSA-N 1 0 157.213 0.533 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[C@@H]2[NH2+][C@H](C)CC[C@H]2O1 238854577 168111225 /nfs/dbraw/zinc/11/12/25/168111225.db2.gz OKOJKJVMRGFNAN-XAVMHZPKSA-N 1 0 199.250 0.457 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)F 78210713 168111242 /nfs/dbraw/zinc/11/12/42/168111242.db2.gz KKBIXEUOAPPUHY-RFZPGFLSSA-N 1 0 179.166 0.260 50 0 ACAARO COC(=O)[C@@H]1C[NH+]2CCC1CC2 5240132 168111296 /nfs/dbraw/zinc/11/12/96/168111296.db2.gz RSOWDTALVBLZPE-MRVPVSSYSA-N 1 0 169.224 0.501 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F 22200434 168111336 /nfs/dbraw/zinc/11/13/36/168111336.db2.gz PKIKQIJAGVYORC-RFZPGFLSSA-N 1 0 197.156 0.557 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[NH2+]CC12CCC2 98113584 168111355 /nfs/dbraw/zinc/11/13/55/168111355.db2.gz KMHQNENKIORXOA-ZETCQYMHSA-N 1 0 169.224 0.549 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[C@@H]2[NH2+][C@@H](C)CC[C@@H]2O1 225388879 168111404 /nfs/dbraw/zinc/11/14/04/168111404.db2.gz OKOJKJVMRGFNAN-JBDRJPRFSA-N 1 0 199.250 0.457 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]CC1(C)C 74942144 168111858 /nfs/dbraw/zinc/11/18/58/168111858.db2.gz MYLAORHZWOJMEJ-LURJTMIESA-N 1 0 157.213 0.405 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1C 4202770 168111916 /nfs/dbraw/zinc/11/19/16/168111916.db2.gz KXYSKSUNLWRSFW-PHDIDXHHSA-N 1 0 143.186 0.015 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 39088039 168111943 /nfs/dbraw/zinc/11/19/43/168111943.db2.gz HJPYJRXRHXOATI-RQJHMYQMSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 98210260 168111953 /nfs/dbraw/zinc/11/19/53/168111953.db2.gz BTQWSGIBAROLHY-SFYZADRCSA-N 1 0 185.223 0.023 50 0 ACAARO COC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2C1 101688983 168112058 /nfs/dbraw/zinc/11/20/58/168112058.db2.gz FHIJCASAUMRSAS-WHUPJOBBSA-N 1 0 169.224 0.405 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 39088038 168112076 /nfs/dbraw/zinc/11/20/76/168112076.db2.gz HJPYJRXRHXOATI-BQBZGAKWSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1C 39941192 168112083 /nfs/dbraw/zinc/11/20/83/168112083.db2.gz OGSFGBNZYUWVFP-NKWVEPMBSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[C@@H]2[NH2+][C@@H](C)CC[C@H]2O1 238854576 168112091 /nfs/dbraw/zinc/11/20/91/168112091.db2.gz OKOJKJVMRGFNAN-MAUMQABQSA-N 1 0 199.250 0.457 50 0 ACAARO COC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 100410912 168112106 /nfs/dbraw/zinc/11/21/06/168112106.db2.gz DQASNVBNVNCIGT-RRKCRQDMSA-N 1 0 155.197 0.300 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1C 4202771 168112292 /nfs/dbraw/zinc/11/22/92/168112292.db2.gz KXYSKSUNLWRSFW-NTSWFWBYSA-N 1 0 143.186 0.015 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1C(C)C 15020832 168112323 /nfs/dbraw/zinc/11/23/23/168112323.db2.gz HDCVOOMNEULPRD-JGVFFNPUSA-N 1 0 171.240 0.651 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]CCSC1 299805362 168112328 /nfs/dbraw/zinc/11/23/28/168112328.db2.gz KEZNFFNOZOUUDS-ZCFIWIBFSA-N 1 0 175.253 0.112 50 0 ACAARO COC(=O)[C@@H]1C[NH2+]CC[C@H]1C 39941191 168112367 /nfs/dbraw/zinc/11/23/67/168112367.db2.gz OGSFGBNZYUWVFP-RNFRBKRXSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 74937941 168112375 /nfs/dbraw/zinc/11/23/75/168112375.db2.gz VUSQBNNLIDLIBW-NTSWFWBYSA-N 1 0 157.213 0.533 50 0 ACAARO COC(=O)[C@@H]1C[C@@H]2[NH2+][C@H](C)CC[C@@H]2O1 238854579 168112378 /nfs/dbraw/zinc/11/23/78/168112378.db2.gz OKOJKJVMRGFNAN-XGEHTFHBSA-N 1 0 199.250 0.457 50 0 ACAARO COC(=O)[C@@H]1c2ccccc2C[C@H]1[NH3+] 39083683 168112968 /nfs/dbraw/zinc/11/29/68/168112968.db2.gz MMHFVBZUVMSBLR-NXEZZACHSA-N 1 0 191.230 0.827 50 0 ACAARO COC(=O)[C@@](C)([NH3+])C(C)(C)C 97756975 168113053 /nfs/dbraw/zinc/11/30/53/168113053.db2.gz SPJBRWUWEUROCQ-MRVPVSSYSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 96034552 168113187 /nfs/dbraw/zinc/11/31/87/168113187.db2.gz WOWYWKFLNLXEHU-GJMOJQLCSA-N 1 0 169.224 0.548 50 0 in-vitro ACAARO COC(=O)[C@@H]1[NH2+]CC[C@H]1C 39087440 168113286 /nfs/dbraw/zinc/11/32/86/168113286.db2.gz OBTGJTFLRUWIMG-PHDIDXHHSA-N 1 0 143.186 0.157 50 0 ACAARO COC(=O)[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 96034550 168113452 /nfs/dbraw/zinc/11/34/52/168113452.db2.gz WOWYWKFLNLXEHU-BWZBUEFSSA-N 1 0 169.224 0.548 50 0 in-vitro ACAARO COC(=O)[C@@](C)([NH3+])C(C)C 39372981 168113833 /nfs/dbraw/zinc/11/38/33/168113833.db2.gz OQQLWOQWKDIFEB-ZETCQYMHSA-N 1 0 145.202 0.533 50 0 ACAARO COC(=O)[C@@](C)([NH3+])C1CC1 37329626 168114046 /nfs/dbraw/zinc/11/40/46/168114046.db2.gz RRKTYVQFTHYBOS-ZETCQYMHSA-N 1 0 143.186 0.287 50 0 biogenic,in-vitro ACAARO COC(=O)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 102232943 168114130 /nfs/dbraw/zinc/11/41/30/168114130.db2.gz WOWYWKFLNLXEHU-BIIVOSGPSA-N 1 0 169.224 0.548 50 0 in-vitro ACAARO COC(=O)[C@@H]1[NH2+]CC[C@@H]1C 39087438 168114171 /nfs/dbraw/zinc/11/41/71/168114171.db2.gz OBTGJTFLRUWIMG-NTSWFWBYSA-N 1 0 143.186 0.157 50 0 ACAARO COC(=O)[C@@H]1c2ccccc2C[C@@H]1[NH3+] 39083680 168114386 /nfs/dbraw/zinc/11/43/86/168114386.db2.gz MMHFVBZUVMSBLR-VHSXEESVSA-N 1 0 191.230 0.827 50 0 ACAARO COC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 82557187 168114879 /nfs/dbraw/zinc/11/48/79/168114879.db2.gz ATNIMTYVLOJXKY-ZCFIWIBFSA-N 1 0 197.156 0.701 50 0 in-vitro ACAARO COC(=O)[C@@]1(C)CCC[NH2+]C1 59270610 168115367 /nfs/dbraw/zinc/11/53/67/168115367.db2.gz QWGSXOQEGUGWMA-QMMMGPOBSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)[C@@]1(C)CC[N@H+](C)C1 34239367 168115407 /nfs/dbraw/zinc/11/54/07/168115407.db2.gz AJHMLHHIBYJZNW-QMMMGPOBSA-N 1 0 157.213 0.501 50 0 ACAARO COC(=O)[C@@](O)(C[NH3+])c1ccccc1 218776808 168115413 /nfs/dbraw/zinc/11/54/13/168115413.db2.gz UIFOWOCVQMAUBZ-SNVBAGLBSA-N 1 0 195.218 0.006 50 0 ACAARO COC(=O)[C@H](C)C[NH+](C)C 2548966 168115427 /nfs/dbraw/zinc/11/54/27/168115427.db2.gz DDLJXUCYCFDNCA-ZCFIWIBFSA-N 1 0 145.202 0.357 50 0 in-vitro ACAARO COC(=O)[C@H](C)C1CC[NH2+]CC1 33487600 168115440 /nfs/dbraw/zinc/11/54/40/168115440.db2.gz LCIWBZVLPYHUCC-SSDOTTSWSA-N 1 0 171.240 0.795 50 0 ACAARO COC(=O)[C@@]1(C)C[NH2+]C[C@@H]1C 238392811 168115585 /nfs/dbraw/zinc/11/55/85/168115585.db2.gz VXQVHJJNBMOBOI-XPUUQOCRSA-N 1 0 157.213 0.405 50 0 ACAARO COC(=O)[C@@]12CCC[C@H]1C[NH2+]C2 95348056 168115911 /nfs/dbraw/zinc/11/59/11/168115911.db2.gz HFQYLMMYIGSJBU-IONNQARKSA-N 1 0 169.224 0.549 50 0 ACAARO COC(=O)[C@H](C)CC[NH3+] 34295273 168115923 /nfs/dbraw/zinc/11/59/23/168115923.db2.gz RLQGFMIEMSPTCP-RXMQYKEDSA-N 1 0 131.175 0.144 50 0 ACAARO COC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 95348054 168115959 /nfs/dbraw/zinc/11/59/59/168115959.db2.gz HFQYLMMYIGSJBU-VXNVDRBHSA-N 1 0 169.224 0.549 50 0 ACAARO COC(=O)[C@@]1(C)CC[NH2+]C1 62919799 168116048 /nfs/dbraw/zinc/11/60/48/168116048.db2.gz NDFMJADIWGFRLL-ZETCQYMHSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO COC(=O)[C@@]1(C)CCC[NH2+]1 34101736 168116289 /nfs/dbraw/zinc/11/62/89/168116289.db2.gz CCNBDZFBJCGDIV-SSDOTTSWSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO COC(=O)[C@H](C)C[NH2+]C1CC1 35133566 168118011 /nfs/dbraw/zinc/11/80/11/168118011.db2.gz QHAAIMCXBARGQQ-ZCFIWIBFSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO COC(=O)[C@H](C)C[NH+]1CCCC1 1635629 168118041 /nfs/dbraw/zinc/11/80/41/168118041.db2.gz CKYVYVAZNCMKAO-MRVPVSSYSA-N 1 0 171.240 0.891 50 0 ACAARO COC(=O)[C@H](C)[NH+]1CCCC1 22122935 168118076 /nfs/dbraw/zinc/11/80/76/168118076.db2.gz BCYHICYAWLIZRU-ZETCQYMHSA-N 1 0 157.213 0.644 50 0 ACAARO COC(=O)[C@H](C[NH3+])Cc1ccncc1 20579278 168118445 /nfs/dbraw/zinc/11/84/45/168118445.db2.gz IYTJYJGDNLHZGQ-VIFPVBQESA-N 1 0 194.234 0.372 50 0 ACAARO COC(=O)[C@H](C[NH3+])CC(C)C 51690114 168118455 /nfs/dbraw/zinc/11/84/55/168118455.db2.gz QVGZFUGCZDERGY-ZETCQYMHSA-N 1 0 159.229 0.780 50 0 in-vitro ACAARO COC(=O)[C@H](C[NH3+])C[C@H]1CCOC1 51691070 168118592 /nfs/dbraw/zinc/11/85/92/168118592.db2.gz LNQSCMIIRUHLMG-SFYZADRCSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@H](C[NH3+])C1CCOCC1 58038110 168118624 /nfs/dbraw/zinc/11/86/24/168118624.db2.gz PPSCZQNAABSBIB-MRVPVSSYSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@H]([NH3+])C1CCCC1 97922853 168118642 /nfs/dbraw/zinc/11/86/42/168118642.db2.gz ZGQSMYWOPKCARZ-SSDOTTSWSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)[C@H]([NH3+])C(C)C 54954743 168118861 /nfs/dbraw/zinc/11/88/61/168118861.db2.gz CEMZBWPSKYISTN-RXMQYKEDSA-N 1 0 131.175 0.143 50 0 biogenic,in-vitro ACAARO COC(=O)[C@H](C[NH3+])CC1CC1 51690880 168118947 /nfs/dbraw/zinc/11/89/47/168118947.db2.gz NGHAGYNCPJUSJE-ZETCQYMHSA-N 1 0 157.213 0.534 50 0 in-vitro ACAARO COC(=O)[C@H](C[NH3+])Cc1ccccc1 4312858 168118999 /nfs/dbraw/zinc/11/89/99/168118999.db2.gz QOEALULCQUCMOP-JTQLQIEISA-N 1 0 193.246 0.977 50 0 in-vitro ACAARO COC(=O)[C@H]([NH3+])C1CCSCC1 35629961 168119347 /nfs/dbraw/zinc/11/93/47/168119347.db2.gz CAQGEFRXSFRKJL-SSDOTTSWSA-N 1 0 189.280 0.630 50 0 ACAARO COC(=O)[C@H](C[NH3+])c1ccccc1 4312856 168119458 /nfs/dbraw/zinc/11/94/58/168119458.db2.gz WSDDSIXJNPGPSI-SECBINFHSA-N 1 0 179.219 0.902 50 0 in-vitro ACAARO COC(=O)[C@H]([NH3+])C1CCC1 26896530 168119568 /nfs/dbraw/zinc/11/95/68/168119568.db2.gz WPMQPLHPHZACOB-ZCFIWIBFSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)[C@H](C[NH3+])C[C@@H]1CCOC1 51691067 168119803 /nfs/dbraw/zinc/11/98/03/168119803.db2.gz LNQSCMIIRUHLMG-YUMQZZPRSA-N 1 0 187.239 0.161 50 0 in-vitro ACAARO COC(=O)[C@H](C[NH3+])C(F)(F)F 16159511 168119850 /nfs/dbraw/zinc/11/98/50/168119850.db2.gz IWNHSPZURKMJSI-VKHMYHEASA-N 1 0 171.118 0.297 50 0 in-vitro ACAARO COC(=O)[C@H]1CC12CC[NH2+]CC2 68591608 168120412 /nfs/dbraw/zinc/12/04/12/168120412.db2.gz IJFYZUROYVOFQX-SSDOTTSWSA-N 1 0 169.224 0.549 50 0 in-vitro ACAARO COC(=O)[C@H](O)[C@@H]([NH3+])c1ccccc1 34380925 168120468 /nfs/dbraw/zinc/12/04/68/168120468.db2.gz WZPZWAQKLOPJEL-DTWKUNHWSA-N 1 0 195.218 0.220 50 0 ACAARO COC(=O)[C@H]1C=C[C@@H]([NH3+])C1 39083074 168120663 /nfs/dbraw/zinc/12/06/63/168120663.db2.gz ANVYHALMQXHQSG-NTSWFWBYSA-N 1 0 141.170 0.063 50 0 in-vitro ACAARO COC(=O)[C@H](O)[C@H]([NH3+])c1ccccc1 34382951 168120987 /nfs/dbraw/zinc/12/09/87/168120987.db2.gz WZPZWAQKLOPJEL-RKDXNWHRSA-N 1 0 195.218 0.220 50 0 ACAARO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2C 33338142 168121153 /nfs/dbraw/zinc/12/11/53/168121153.db2.gz WXEMSGQRTGSYOG-BKPPORCPSA-N 1 0 197.234 0.211 50 0 ACAARO COC(=O)[C@H]1C=C[C@H]([NH3+])C1 39083045 168121243 /nfs/dbraw/zinc/12/12/43/168121243.db2.gz ANVYHALMQXHQSG-WDSKDSINSA-N 1 0 141.170 0.063 50 0 in-vitro ACAARO COC(=O)[C@H]1CC=CC[C@@H]1[NH3+] 71495153 168121313 /nfs/dbraw/zinc/12/13/13/168121313.db2.gz PIPIDLZHXZUHIZ-BQBZGAKWSA-N 1 0 155.197 0.453 50 0 ACAARO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH3+] 39219940 168121517 /nfs/dbraw/zinc/12/15/17/168121517.db2.gz KNPLGHZLVZHFSD-PEBLOWIWSA-N 1 0 183.251 0.923 50 0 in-vitro ACAARO COC(=O)[C@H]1CC=CC[C@H]1[NH3+] 39087899 168121531 /nfs/dbraw/zinc/12/15/31/168121531.db2.gz PIPIDLZHXZUHIZ-NKWVEPMBSA-N 1 0 155.197 0.453 50 0 ACAARO COC(=O)[C@H]1CCCC[C@H]1C[NH3+] 83825535 168121785 /nfs/dbraw/zinc/12/17/85/168121785.db2.gz MMZFVMGKNMIQMM-YUMQZZPRSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)[C@H]1CCCC[C@@H]1[NH3+] 20216343 168121790 /nfs/dbraw/zinc/12/17/90/168121790.db2.gz SUYHWZRODJBJER-BQBZGAKWSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)[C@H]1CCC2(CC[NH2+]CC2)O1 95743314 168121849 /nfs/dbraw/zinc/12/18/49/168121849.db2.gz NCSRJGIZUGMRQE-MRVPVSSYSA-N 1 0 199.250 0.461 50 0 ACAARO COC(=O)[C@H]1CCCC[C@H]1[NH3+] 20216347 168121868 /nfs/dbraw/zinc/12/18/68/168121868.db2.gz SUYHWZRODJBJER-NKWVEPMBSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@H]1CCC(C)(C)[NH2+]C1 95643204 168121969 /nfs/dbraw/zinc/12/19/69/168121969.db2.gz ZSZCHXGCKWYCSB-ZETCQYMHSA-N 1 0 171.240 0.938 50 0 ACAARO COC(=O)[C@H]1CCCC[C@@H]1C[NH3+] 83825531 168122024 /nfs/dbraw/zinc/12/20/24/168122024.db2.gz MMZFVMGKNMIQMM-SFYZADRCSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)[C@H]1C[C@H]([NH3+])C1(C)C 74937939 168122155 /nfs/dbraw/zinc/12/21/55/168122155.db2.gz VUSQBNNLIDLIBW-RITPCOANSA-N 1 0 157.213 0.533 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@H]1C 4202768 168122200 /nfs/dbraw/zinc/12/22/00/168122200.db2.gz KXYSKSUNLWRSFW-RITPCOANSA-N 1 0 143.186 0.015 50 0 ACAARO COC(=O)[C@H]1C[NH2+]CC[C@@H]1C 39941190 168122296 /nfs/dbraw/zinc/12/22/96/168122296.db2.gz OGSFGBNZYUWVFP-BQBZGAKWSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@H]1C[NH2+]CCSC1 299805361 168122380 /nfs/dbraw/zinc/12/23/80/168122380.db2.gz KEZNFFNOZOUUDS-LURJTMIESA-N 1 0 175.253 0.112 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1C 4202769 168122525 /nfs/dbraw/zinc/12/25/25/168122525.db2.gz KXYSKSUNLWRSFW-WDSKDSINSA-N 1 0 143.186 0.015 50 0 in-vitro ACAARO COC(=O)[C@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 109131573 168122615 /nfs/dbraw/zinc/12/26/15/168122615.db2.gz RYWPBJUZHWNQGP-WHUPJOBBSA-N 1 0 169.224 0.690 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@@H](C)C1 39088040 168122709 /nfs/dbraw/zinc/12/27/09/168122709.db2.gz HJPYJRXRHXOATI-NKWVEPMBSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 72194302 168122751 /nfs/dbraw/zinc/12/27/51/168122751.db2.gz VUSQBNNLIDLIBW-PHDIDXHHSA-N 1 0 157.213 0.533 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1C(F)(F)F 2513095 168122755 /nfs/dbraw/zinc/12/27/55/168122755.db2.gz PKIKQIJAGVYORC-WHFBIAKZSA-N 1 0 197.156 0.557 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1C(C)C 2526863 168122790 /nfs/dbraw/zinc/12/27/90/168122790.db2.gz HDCVOOMNEULPRD-SFYZADRCSA-N 1 0 171.240 0.651 50 0 in-vitro ACAARO COC(=O)[C@H]1C[NH2+]CC[C@H]1C 39941189 168123015 /nfs/dbraw/zinc/12/30/15/168123015.db2.gz OGSFGBNZYUWVFP-RQJHMYQMSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@H]1C[NH2+]CC12CCC2 98113585 168123189 /nfs/dbraw/zinc/12/31/89/168123189.db2.gz KMHQNENKIORXOA-SSDOTTSWSA-N 1 0 169.224 0.549 50 0 in-vitro ACAARO COC(=O)[C@H]1C[NH2+]CC1(C)C 74942142 168123360 /nfs/dbraw/zinc/12/33/60/168123360.db2.gz MYLAORHZWOJMEJ-ZCFIWIBFSA-N 1 0 157.213 0.405 50 0 ACAARO COC(=O)[C@H]1C[NH2+]C[C@H](C)C1 39088041 168123430 /nfs/dbraw/zinc/12/34/30/168123430.db2.gz HJPYJRXRHXOATI-RNFRBKRXSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1[N@H+]2C 4654765 168123733 /nfs/dbraw/zinc/12/37/33/168123733.db2.gz QIQNNBXHAYSQRY-UYXSQOIJSA-N 1 0 199.250 0.003 50 0 endogenous,in-man ACAARO COC(=O)[C@](C)([NH3+])C(C)C 39072815 168123989 /nfs/dbraw/zinc/12/39/89/168123989.db2.gz OQQLWOQWKDIFEB-SSDOTTSWSA-N 1 0 145.202 0.533 50 0 ACAARO COC(=O)[C@](C)([NH3+])C(C)(C)C 39135421 168124293 /nfs/dbraw/zinc/12/42/93/168124293.db2.gz SPJBRWUWEUROCQ-QMMMGPOBSA-N 1 0 159.229 0.923 50 0 ACAARO COC(=O)[C@H]1c2ccccc2C[C@H]1[NH3+] 39083685 168124441 /nfs/dbraw/zinc/12/44/41/168124441.db2.gz MMHFVBZUVMSBLR-ZJUUUORDSA-N 1 0 191.230 0.827 50 0 ACAARO COC(=O)[C@](C)([NH3+])C1CC1 37329624 168124548 /nfs/dbraw/zinc/12/45/48/168124548.db2.gz RRKTYVQFTHYBOS-SSDOTTSWSA-N 1 0 143.186 0.287 50 0 biogenic,in-vitro ACAARO COC(=O)[C@](O)(C[NH3+])c1ccccc1 218776890 168124551 /nfs/dbraw/zinc/12/45/51/168124551.db2.gz UIFOWOCVQMAUBZ-JTQLQIEISA-N 1 0 195.218 0.006 50 0 ACAARO COC(=O)[C@H]1c2ccccc2C[C@@H]1[NH3+] 39083682 168124559 /nfs/dbraw/zinc/12/45/59/168124559.db2.gz MMHFVBZUVMSBLR-UWVGGRQHSA-N 1 0 191.230 0.827 50 0 ACAARO COC(=O)[C@H]1[NH2+]CC[C@@H]1C 39087441 168124567 /nfs/dbraw/zinc/12/45/67/168124567.db2.gz OBTGJTFLRUWIMG-WDSKDSINSA-N 1 0 143.186 0.157 50 0 ACAARO COC(=O)[C@H]1[NH2+]CC[C@H]1C 39087439 168124711 /nfs/dbraw/zinc/12/47/11/168124711.db2.gz OBTGJTFLRUWIMG-RITPCOANSA-N 1 0 143.186 0.157 50 0 ACAARO COC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 82557186 168124732 /nfs/dbraw/zinc/12/47/32/168124732.db2.gz ATNIMTYVLOJXKY-LURJTMIESA-N 1 0 197.156 0.701 50 0 in-vitro ACAARO COC(=O)[C@H]1[C@H](O)C[C@@H]2CC[C@H]1[N@H+]2C 1698750 168125000 /nfs/dbraw/zinc/12/50/00/168125000.db2.gz QIQNNBXHAYSQRY-JQCXWYLXSA-N 1 0 199.250 0.003 50 0 in-vitro ACAARO COC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 95348055 168125501 /nfs/dbraw/zinc/12/55/01/168125501.db2.gz HFQYLMMYIGSJBU-APPZFPTMSA-N 1 0 169.224 0.549 50 0 ACAARO COC(=O)[C@]1(C)CC[N@H+](C)C1 34239368 168125579 /nfs/dbraw/zinc/12/55/79/168125579.db2.gz AJHMLHHIBYJZNW-MRVPVSSYSA-N 1 0 157.213 0.501 50 0 ACAARO COC(=O)[C@]12CCC[C@H]1C[NH2+]C2 95348057 168125597 /nfs/dbraw/zinc/12/55/97/168125597.db2.gz HFQYLMMYIGSJBU-CBAPKCEASA-N 1 0 169.224 0.549 50 0 ACAARO COC(=O)[C@]1(C)CCC[NH2+]1 34101737 168125762 /nfs/dbraw/zinc/12/57/62/168125762.db2.gz CCNBDZFBJCGDIV-ZETCQYMHSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO COC(=O)[C@]1(C)CC[NH2+]C1 62919801 168125796 /nfs/dbraw/zinc/12/57/96/168125796.db2.gz NDFMJADIWGFRLL-SSDOTTSWSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO COC(=O)[C@]1(C)CCC[NH2+]C1 59270611 168125818 /nfs/dbraw/zinc/12/58/18/168125818.db2.gz QWGSXOQEGUGWMA-MRVPVSSYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)c1c[nH]c2nc(N)[nH+]cc12 238336757 168126738 /nfs/dbraw/zinc/12/67/38/168126738.db2.gz DENGDMKTYAXXRH-UHFFFAOYSA-N 1 0 192.178 0.327 50 0 ACAARO COC(=O)c1cc(C(C)(C)[NH3+])no1 238850895 168127340 /nfs/dbraw/zinc/12/73/40/168127340.db2.gz DHWNKZVNXLZHIY-UHFFFAOYSA-N 1 0 184.195 0.655 50 0 in-vitro ACAARO COC(=O)c1cc(C[NH3+])ccc1OC 3887390 168127996 /nfs/dbraw/zinc/12/79/96/168127996.db2.gz JFKUPTRYVDEPDY-UHFFFAOYSA-N 1 0 195.218 0.941 50 0 ACAARO COC(=O)c1cc(C[NH3+])oc1C 12480924 168128262 /nfs/dbraw/zinc/12/82/62/168128262.db2.gz WZLNLXYHVWNQAY-UHFFFAOYSA-N 1 0 169.180 0.833 50 0 in-vitro ACAARO COC(=O)c1cc(C[NH3+])ccc1O 12647695 168128390 /nfs/dbraw/zinc/12/83/90/168128390.db2.gz GBALCHZEMJDMBG-UHFFFAOYSA-N 1 0 181.191 0.638 50 0 in-vitro ACAARO COC(=O)c1cc(C[NH3+])cs1 6658181 168128577 /nfs/dbraw/zinc/12/85/77/168128577.db2.gz XQNRXJWIFJQYPP-UHFFFAOYSA-N 1 0 171.221 0.993 50 0 in-vitro ACAARO COC(=O)c1cc(C[NH3+])c(C)o1 40539170 168129382 /nfs/dbraw/zinc/12/93/82/168129382.db2.gz JMQFTBDKRHEIJC-UHFFFAOYSA-N 1 0 169.180 0.833 50 0 ACAARO COC(=O)c1ccc(CC[NH3+])cc1 16698118 168129745 /nfs/dbraw/zinc/12/97/45/168129745.db2.gz XGBXOGQDEAGJKO-UHFFFAOYSA-N 1 0 179.219 0.974 50 0 in-vitro ACAARO COC(=O)c1ccc(C(N)=[NH2+])cc1 1433249 168129992 /nfs/dbraw/zinc/12/99/92/168129992.db2.gz RBAKRWBISSQANO-UHFFFAOYSA-N 1 0 178.191 0.757 50 0 in-vitro ACAARO COC(=O)c1ccc(C[NH3+])cn1 58041637 168130006 /nfs/dbraw/zinc/13/00/06/168130006.db2.gz JNHVMTSSEFMSCD-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 ACAARO COC(=O)c1ccc(C(N)=[NH2+])nc1 67173618 168130189 /nfs/dbraw/zinc/13/01/89/168130189.db2.gz FCKVILMKYGGNPE-UHFFFAOYSA-N 1 0 179.179 0.152 50 0 ACAARO COC(=O)c1ccc(C[NH3+])c(OC)c1 58826979 168130209 /nfs/dbraw/zinc/13/02/09/168130209.db2.gz NNOBUPILNNMONK-UHFFFAOYSA-N 1 0 195.218 0.941 50 0 ACAARO COC(=O)c1ccc(C[NH3+])nc1 39168269 168130310 /nfs/dbraw/zinc/13/03/10/168130310.db2.gz WGPAOTBWPMCFMM-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 in-vitro ACAARO COC(=O)c1cc2n(n1)CCC[NH2+]C2 67688751 168130378 /nfs/dbraw/zinc/13/03/78/168130378.db2.gz ZPFCQMQPPWBKRD-UHFFFAOYSA-N 1 0 195.222 0.163 50 0 ACAARO COC(=O)c1ccc(C[NH3+])cc1 7370593 168130467 /nfs/dbraw/zinc/13/04/67/168130467.db2.gz AQBJGAUQEJFPKZ-UHFFFAOYSA-N 1 0 165.192 0.932 50 0 in-vitro ACAARO COC(=O)c1ccc(C[NH3+])[nH]1 45792911 168130893 /nfs/dbraw/zinc/13/08/93/168130893.db2.gz XNERWJGKTKYMRU-UHFFFAOYSA-N 1 0 154.169 0.260 50 0 ACAARO COC(=O)c1ccc(C(=[NH2+])NO)cc1 14007568 168130913 /nfs/dbraw/zinc/13/09/13/168130913.db2.gz IGHWNCLZGNNKBN-UHFFFAOYSA-N 1 0 194.190 0.777 50 0 in-vitro ACAARO COC(=O)c1ccc(C[NH3+])o1 8733299 168130930 /nfs/dbraw/zinc/13/09/30/168130930.db2.gz HXZRHZUUJMJRJT-UHFFFAOYSA-N 1 0 155.153 0.525 50 0 ACAARO COC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 96516153 168131079 /nfs/dbraw/zinc/13/10/79/168131079.db2.gz IASOVWPLYUVSPI-ZCFIWIBFSA-N 1 0 195.222 0.273 50 0 ACAARO COC(=O)c1ccc(C[NH3+])cc1OC 82164718 168131516 /nfs/dbraw/zinc/13/15/16/168131516.db2.gz GNBQLMBPFKIXJX-UHFFFAOYSA-N 1 0 195.218 0.941 50 0 in-vitro ACAARO COC(=O)c1cc[n+](C)cc1 332665 168131553 /nfs/dbraw/zinc/13/15/53/168131553.db2.gz QSTZQJMQOOWRNP-UHFFFAOYSA-N 1 0 152.173 0.298 50 0 ACAARO COC(=O)c1ccc(OCC[NH3+])cc1 30834240 168131764 /nfs/dbraw/zinc/13/17/64/168131764.db2.gz SMRYWTZXDXXQKC-UHFFFAOYSA-N 1 0 195.218 0.811 50 0 ACAARO COC(=O)c1ccc2c(c1)C[C@H]([NH3+])C2 98089626 168131767 /nfs/dbraw/zinc/13/17/67/168131767.db2.gz SGAIDXAIUTTWQZ-SNVBAGLBSA-N 1 0 191.230 0.899 50 0 ACAARO COC(=O)c1ccc(NN)[nH+]c1 88611549 168131880 /nfs/dbraw/zinc/13/18/80/168131880.db2.gz WLNMKEVJMIJKLQ-UHFFFAOYSA-N 1 0 167.168 0.154 50 0 in-vitro ACAARO COC(=O)c1ccc([C@H]([NH3+])CO)cc1 72197717 168131889 /nfs/dbraw/zinc/13/18/89/168131889.db2.gz MFAVCDGFBDRLGW-SECBINFHSA-N 1 0 195.218 0.465 50 0 ACAARO COC(=O)c1ccc2c(n1)C[NH2+]C2 95218239 168131915 /nfs/dbraw/zinc/13/19/15/168131915.db2.gz VYVDRIJLLSDWBT-UHFFFAOYSA-N 1 0 178.191 0.471 50 0 ACAARO COC(=O)c1ccc(C[NH3+])s1 16942536 168132558 /nfs/dbraw/zinc/13/25/58/168132558.db2.gz KEAKUFQPSKQXOG-UHFFFAOYSA-N 1 0 171.221 0.993 50 0 ACAARO COC(=O)c1ccc([C@@H]([NH3+])CO)cc1 72197718 168132590 /nfs/dbraw/zinc/13/25/90/168132590.db2.gz MFAVCDGFBDRLGW-VIFPVBQESA-N 1 0 195.218 0.465 50 0 in-vitro ACAARO COC(=O)c1ccc2c(c1)C[C@@H]([NH3+])C2 98089627 168132742 /nfs/dbraw/zinc/13/27/42/168132742.db2.gz SGAIDXAIUTTWQZ-JTQLQIEISA-N 1 0 191.230 0.899 50 0 ACAARO COC(=O)c1ccc(NC(N)=[NH2+])cc1 26751139 168133202 /nfs/dbraw/zinc/13/32/02/168133202.db2.gz MNUVBGMYHJEDJB-UHFFFAOYSA-N 1 0 193.206 0.779 50 0 ACAARO COC(=O)c1cccc(OCC[NH3+])c1 16652293 168133297 /nfs/dbraw/zinc/13/32/97/168133297.db2.gz LUJWVFVJBGPTQJ-UHFFFAOYSA-N 1 0 195.218 0.811 50 0 in-vitro ACAARO COC(=O)c1ccnc(C[NH3+])c1 35269698 168133608 /nfs/dbraw/zinc/13/36/08/168133608.db2.gz SJROINROTNRUMX-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 in-vitro ACAARO COC(=O)c1cccc(CC[NH3+])n1 44399276 168133734 /nfs/dbraw/zinc/13/37/34/168133734.db2.gz VXXVZYZARARNQQ-UHFFFAOYSA-N 1 0 180.207 0.369 50 0 ACAARO COC(=O)c1ccccc1C[NH3+] 1494942 168133762 /nfs/dbraw/zinc/13/37/62/168133762.db2.gz RBTRYPAYLTVGDV-UHFFFAOYSA-N 1 0 165.192 0.932 50 0 in-vitro ACAARO COC(=O)c1cccc(C[NH3+])n1 21985017 168134045 /nfs/dbraw/zinc/13/40/45/168134045.db2.gz BXSRCFBJJKYNGE-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 ACAARO COC(=O)c1cccc(C(N)=[NH2+])c1 1442921 168134077 /nfs/dbraw/zinc/13/40/77/168134077.db2.gz PRAYXRLPTMXYEZ-UHFFFAOYSA-N 1 0 178.191 0.757 50 0 in-vitro ACAARO COC(=O)c1ccnc2c1C[NH2+]CC2 169794963 168134171 /nfs/dbraw/zinc/13/41/71/168134171.db2.gz IGJPYGZDISGPPS-UHFFFAOYSA-N 1 0 192.218 0.514 50 0 ACAARO COC(=O)c1cccc(CC[NH3+])c1 38973478 168134245 /nfs/dbraw/zinc/13/42/45/168134245.db2.gz XMXYETFVQPTTJI-UHFFFAOYSA-N 1 0 179.219 0.974 50 0 in-vitro ACAARO COC(=O)c1cccc([C@@H]([NH3+])CO)c1 72197722 168134292 /nfs/dbraw/zinc/13/42/92/168134292.db2.gz KKARUQMLVLNEAR-VIFPVBQESA-N 1 0 195.218 0.465 50 0 ACAARO COC(=O)c1cccnc1C[NH3+] 38433939 168134602 /nfs/dbraw/zinc/13/46/02/168134602.db2.gz PIKGZGDTIQDIGI-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 ACAARO COC(=O)c1ccc[n+](C)c1 332349 168134620 /nfs/dbraw/zinc/13/46/20/168134620.db2.gz PUCDEIAKSXKMSO-UHFFFAOYSA-N 1 0 152.173 0.298 50 0 in-vitro ACAARO COC(=O)c1ccn2c(N)c[nH+]c2c1 238414300 168134644 /nfs/dbraw/zinc/13/46/44/168134644.db2.gz QAAQCCZXLNWSPS-UHFFFAOYSA-N 1 0 191.190 0.703 50 0 ACAARO COC(=O)c1cccc([C@H]([NH3+])CO)c1 72197721 168134679 /nfs/dbraw/zinc/13/46/79/168134679.db2.gz KKARUQMLVLNEAR-SECBINFHSA-N 1 0 195.218 0.465 50 0 ACAARO COC(=O)c1cccc(C[NH3+])c1 153955 168134974 /nfs/dbraw/zinc/13/49/74/168134974.db2.gz OWBKDJSKHXGOJY-UHFFFAOYSA-N 1 0 165.192 0.932 50 0 in-vitro ACAARO COC(=O)c1cncc(C[NH3+])c1 35567315 168135508 /nfs/dbraw/zinc/13/55/08/168135508.db2.gz ZQWJKAICQACUJX-UHFFFAOYSA-N 1 0 166.180 0.327 50 0 ACAARO COC(=O)c1cnc([C@H](C)[NH3+])s1 118824974 168135549 /nfs/dbraw/zinc/13/55/49/168135549.db2.gz YDDRFSAYNCONTJ-BYPYZUCNSA-N 1 0 186.236 0.949 50 0 ACAARO COC(=O)c1ccoc1C[NH3+] 2582813 168135728 /nfs/dbraw/zinc/13/57/28/168135728.db2.gz VVDCGFAGWLPKAT-UHFFFAOYSA-N 1 0 155.153 0.525 50 0 ACAARO COC(=O)c1cnc([C@@H](C)[NH3+])s1 118824972 168136219 /nfs/dbraw/zinc/13/62/19/168136219.db2.gz YDDRFSAYNCONTJ-SCSAIBSYSA-N 1 0 186.236 0.949 50 0 ACAARO COC(=O)c1cncc2c1C[NH2+]CC2 169794915 168136404 /nfs/dbraw/zinc/13/64/04/168136404.db2.gz ACEJDLXYOHQLRR-UHFFFAOYSA-N 1 0 192.218 0.514 50 0 ACAARO COC(=O)c1conc1C(C)(C)[NH3+] 225615571 168136887 /nfs/dbraw/zinc/13/68/87/168136887.db2.gz FGWZYWMASUOKCT-UHFFFAOYSA-N 1 0 184.195 0.655 50 0 ACAARO COC(=O)c1coc([C@@H]2CCC[NH2+]2)n1 40449182 168137118 /nfs/dbraw/zinc/13/71/18/168137118.db2.gz FABYPAGJJIKGML-LURJTMIESA-N 1 0 196.206 0.886 50 0 ACAARO COC(=O)c1csc(CC[NH3+])n1 1727403 168137273 /nfs/dbraw/zinc/13/72/73/168137273.db2.gz NBQFKYYFQHBQMT-UHFFFAOYSA-N 1 0 186.236 0.431 50 0 ACAARO COC(=O)c1coc([C@H]2CCC[NH2+]2)n1 40449183 168137418 /nfs/dbraw/zinc/13/74/18/168137418.db2.gz FABYPAGJJIKGML-ZCFIWIBFSA-N 1 0 196.206 0.886 50 0 ACAARO COC(=O)c1csc(C[NH3+])c1 88346569 168138058 /nfs/dbraw/zinc/13/80/58/168138058.db2.gz FAKZZAPTCZOFFW-UHFFFAOYSA-N 1 0 171.221 0.993 50 0 ACAARO COC(=O)c1sc2c(c1N)C[NH2+]C2 91692281 168138513 /nfs/dbraw/zinc/13/85/13/168138513.db2.gz VOHLYLWJRBHSRP-UHFFFAOYSA-N 1 0 198.247 0.720 50 0 ACAARO COC(=O)c1noc2c1CC[NH2+]C2 49587251 168138567 /nfs/dbraw/zinc/13/85/67/168138567.db2.gz WRKPTPZWVKYRRD-UHFFFAOYSA-N 1 0 182.179 0.107 50 0 ACAARO COC(=O)c1sccc1C[NH3+] 95836008 168139587 /nfs/dbraw/zinc/13/95/87/168139587.db2.gz MMWQALKHHPSNNY-UHFFFAOYSA-N 1 0 171.221 0.993 50 0 ACAARO COC(=O)c1occc1C[NH3+] 35222874 168139719 /nfs/dbraw/zinc/13/97/19/168139719.db2.gz LKHOUCFXRXRDSA-UHFFFAOYSA-N 1 0 155.153 0.525 50 0 in-vitro ACAARO COC(CNC1=[NH+]CCC1)OC 40163952 168140219 /nfs/dbraw/zinc/14/02/19/168140219.db2.gz ZCLHUMHWSLEDIO-UHFFFAOYSA-N 1 0 172.228 0.387 50 0 in-vitro ACAARO COC(CCC[NH3+])OC 2556339 168140248 /nfs/dbraw/zinc/14/02/48/168140248.db2.gz TYVAXMOICMBSMT-UHFFFAOYSA-N 1 0 133.191 0.344 50 0 in-vitro ACAARO COC(C)(C)CC[NH3+] 62498394 168140454 /nfs/dbraw/zinc/14/04/54/168140454.db2.gz CLOYVCHXXWLKSL-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO COC(C[NH2+]CC1CC1)OC 37473107 168140596 /nfs/dbraw/zinc/14/05/96/168140596.db2.gz NHGWIPBDFWJQFG-UHFFFAOYSA-N 1 0 159.229 0.605 50 0 in-vitro ACAARO COC(CCC[NH+](C)C)OC 16696704 168140686 /nfs/dbraw/zinc/14/06/86/168140686.db2.gz WDZKKBDOGYBYBG-UHFFFAOYSA-N 1 0 161.245 0.947 50 0 in-vitro ACAARO COC(C[NH3+])(OC)c1ccccn1 58519984 168140764 /nfs/dbraw/zinc/14/07/64/168140764.db2.gz ACJPYSBVTJPXNZ-UHFFFAOYSA-N 1 0 182.223 0.486 50 0 ACAARO COC(C[NH2+]CC(C)C)OC 37389064 168141155 /nfs/dbraw/zinc/14/11/55/168141155.db2.gz UJPXEIBEGRZNJU-UHFFFAOYSA-N 1 0 161.245 0.851 50 0 in-vitro ACAARO COC(C)(C)C[NH3+] 12953557 168141183 /nfs/dbraw/zinc/14/11/83/168141183.db2.gz ZSTYQALWKOGXOV-UHFFFAOYSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO COC(C[NH+]1CCCC1)OC 85350957 168141227 /nfs/dbraw/zinc/14/12/27/168141227.db2.gz BTQXGQXFTHPBEW-UHFFFAOYSA-N 1 0 159.229 0.701 50 0 in-vitro ACAARO COC(C[NH+](C)C)OC 2539323 168141294 /nfs/dbraw/zinc/14/12/94/168141294.db2.gz HUYAEQCJNXODLQ-UHFFFAOYSA-N 1 0 133.191 0.167 50 0 ACAARO COC(C)(CC[NH3+])OC 5447564 168141519 /nfs/dbraw/zinc/14/15/19/168141519.db2.gz XOCHQQQPVSQATN-UHFFFAOYSA-N 1 0 133.191 0.344 50 0 in-vitro ACAARO COC1([C@H](C)[NH3+])CCOCC1 125369682 168143081 /nfs/dbraw/zinc/14/30/81/168143081.db2.gz UIGGOSQFSOVPRJ-ZETCQYMHSA-N 1 0 159.229 0.529 50 0 ACAARO COC1(OC)CC[NH2+]CC1 14658072 168143085 /nfs/dbraw/zinc/14/30/85/168143085.db2.gz ONHQQEBZVXXMRC-UHFFFAOYSA-N 1 0 145.202 0.359 50 0 ACAARO COC1(CC[NH3+])CCC1 107395920 168143431 /nfs/dbraw/zinc/14/34/31/168143431.db2.gz GKWJFCGWXPPRHY-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO COC1(OC)CC2(C[NH2+]C2)C1 82162687 168143499 /nfs/dbraw/zinc/14/34/99/168143499.db2.gz ZPYMJVKELDTLOM-UHFFFAOYSA-N 1 0 157.213 0.359 50 0 ACAARO COC1(OC)CCCC[C@@H]1[NH3+] 34540161 168143509 /nfs/dbraw/zinc/14/35/09/168143509.db2.gz MCOLOLWDFKRJSF-ZETCQYMHSA-N 1 0 159.229 0.877 50 0 ACAARO COC1(C)CC[NH2+]CC1 38540459 168143526 /nfs/dbraw/zinc/14/35/26/168143526.db2.gz NHVNKCKANZAOOC-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO COC1(C[NH3+])CCOCC1 78724981 168143568 /nfs/dbraw/zinc/14/35/68/168143568.db2.gz AUJNIQIBGYNOMN-UHFFFAOYSA-N 1 0 145.202 0.141 50 0 in-vitro ACAARO COC1(OC)CC([NH3+])C1 238360316 168143629 /nfs/dbraw/zinc/14/36/29/168143629.db2.gz HAJXGHDIJFLEPV-UHFFFAOYSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO COC1(OC)CCCC[C@H]1[NH3+] 34540163 168143673 /nfs/dbraw/zinc/14/36/73/168143673.db2.gz MCOLOLWDFKRJSF-SSDOTTSWSA-N 1 0 159.229 0.877 50 0 ACAARO COC1(CC[NH3+])CC1 107323529 168144148 /nfs/dbraw/zinc/14/41/48/168144148.db2.gz YHLYCMANPSWJNF-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 ACAARO COC1(OC)CC(C)([NH3+])C1 238360263 168144204 /nfs/dbraw/zinc/14/42/04/168144204.db2.gz QXRHBKGUWAVIPX-UHFFFAOYSA-N 1 0 145.202 0.487 50 0 ACAARO COC1([C@@H](C)[NH3+])CCOCC1 125384749 168144235 /nfs/dbraw/zinc/14/42/35/168144235.db2.gz UIGGOSQFSOVPRJ-SSDOTTSWSA-N 1 0 159.229 0.529 50 0 ACAARO COC1(C[NH3+])CCC1 85099806 168144341 /nfs/dbraw/zinc/14/43/41/168144341.db2.gz OLARWWJMDKDOIC-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO COC1(OC)CCC[NH2+]C1 83267969 168144461 /nfs/dbraw/zinc/14/44/61/168144461.db2.gz OIAVZDKLELDXNJ-UHFFFAOYSA-N 1 0 145.202 0.359 50 0 ACAARO COC1(OC)CC(C[NH3+])C1 95743241 168144590 /nfs/dbraw/zinc/14/45/90/168144590.db2.gz PZTFVEFPAHZROW-UHFFFAOYSA-N 1 0 145.202 0.344 50 0 ACAARO COC1(C[NH3+])CCCC1 50482359 168144627 /nfs/dbraw/zinc/14/46/27/168144627.db2.gz VVTJJJIVABEZIO-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 ACAARO COC1(OC)CC(C)(C[NH3+])C1 238360226 168144645 /nfs/dbraw/zinc/14/46/45/168144645.db2.gz WUKCGZVFHLHNNA-UHFFFAOYSA-N 1 0 159.229 0.734 50 0 ACAARO COC1CCC([NH3+])CC1 4536508 168145104 /nfs/dbraw/zinc/14/51/04/168145104.db2.gz SDMXLAZIFYYECU-UHFFFAOYSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO COC1CCN([C@@H]2CC[NH2+]C2)CC1 51783040 168145368 /nfs/dbraw/zinc/14/53/68/168145368.db2.gz VEDVBJSTRUWUDG-SECBINFHSA-N 1 0 184.283 0.459 50 0 ACAARO COC1CCN([C@H]2CC[NH2+]C2)CC1 51783042 168145514 /nfs/dbraw/zinc/14/55/14/168145514.db2.gz VEDVBJSTRUWUDG-VIFPVBQESA-N 1 0 184.283 0.459 50 0 ACAARO COC1CCN(CC[NH3+])CC1 22788958 168145670 /nfs/dbraw/zinc/14/56/70/168145670.db2.gz MGVNXMVJHBHTOW-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO COC1CC2(C[NH2+]C2)C1 96509267 168145740 /nfs/dbraw/zinc/14/57/40/168145740.db2.gz KLOVQWYQYLKOSU-UHFFFAOYSA-N 1 0 127.187 0.385 50 0 ACAARO COC1CC(C[NH3+])C1 84449941 168146019 /nfs/dbraw/zinc/14/60/19/168146019.db2.gz CJUZEDMZPGYKFB-UHFFFAOYSA-N 1 0 115.176 0.370 50 0 ACAARO COC1CC[NH2+]CC1 2527203 168146030 /nfs/dbraw/zinc/14/60/30/168146030.db2.gz ZEYSHALLPAKUHG-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO COC1CCN(C(C)(C)C[NH3+])CC1 37265942 168146069 /nfs/dbraw/zinc/14/60/69/168146069.db2.gz GHVLLRIIFHCHJU-UHFFFAOYSA-N 1 0 186.299 0.835 50 0 in-vitro ACAARO COC1CC([NH3+])C1 66351429 168146342 /nfs/dbraw/zinc/14/63/42/168146342.db2.gz CTZHBPUHGUPFSN-UHFFFAOYSA-N 1 0 101.149 0.123 50 0 in-vitro ACAARO COC1C[C@@H]2CC[C@H](C1)[NH2+]2 54956898 168146803 /nfs/dbraw/zinc/14/68/03/168146803.db2.gz GPCOICWXCKOIEM-DHBOJHSNSA-N 1 0 141.214 0.916 50 0 ACAARO C[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O 54930198 168041609 /nfs/dbraw/zinc/04/16/09/168041609.db2.gz YVKMTUPGLFXONW-RNFRBKRXSA-N 1 0 177.269 0.172 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCN(C(C)C)C1 37240281 168041699 /nfs/dbraw/zinc/04/16/99/168041699.db2.gz YOPFFIMUVJUYQK-MRVPVSSYSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO COCC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 238401285 168148123 /nfs/dbraw/zinc/14/81/23/168148123.db2.gz SCLWTHCFOIFAIL-ZKCHVHJHSA-N 1 0 186.255 0.019 50 0 in-vitro ACAARO COCC(=O)Nc1cccc(C[NH3+])c1 12946180 168149946 /nfs/dbraw/zinc/14/99/46/168149946.db2.gz GELYYDIAMIVAAO-UHFFFAOYSA-N 1 0 194.234 0.730 50 0 in-vitro ACAARO COCC1([NH3+])CCC1 85220982 168149964 /nfs/dbraw/zinc/14/99/64/168149964.db2.gz OELKIVVMDJOKLG-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO COCC(=O)OC[C@@H]1CCC[NH2+]C1 42768497 168150025 /nfs/dbraw/zinc/15/00/25/168150025.db2.gz QMHBENLUKKZQKT-MRVPVSSYSA-N 1 0 187.239 0.176 50 0 ACAARO COCC1(CC[NH3+])CC1 82411106 168150106 /nfs/dbraw/zinc/15/01/06/168150106.db2.gz MNZZFOLBYDXLJE-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 ACAARO COCC(C)(C)C[NH3+] 19092743 168150361 /nfs/dbraw/zinc/15/03/61/168150361.db2.gz PQUOEPYRTBAJTK-UHFFFAOYSA-N 1 0 117.192 0.618 50 0 in-vitro ACAARO COCC1(C[NH3+])CCC1 85390391 168150411 /nfs/dbraw/zinc/15/04/11/168150411.db2.gz XVJNIDSLCWMUBC-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO COCC1([NH3+])CCOCC1 91675744 168150567 /nfs/dbraw/zinc/15/05/67/168150567.db2.gz RKTQBNBFFHFZPT-UHFFFAOYSA-N 1 0 145.202 0.141 50 0 in-vitro ACAARO COCC(C)(C)[NH3+] 5440083 168150614 /nfs/dbraw/zinc/15/06/14/168150614.db2.gz CMZQPQQRGBOLHN-UHFFFAOYSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO COCC1CC([NH3+])C1 40448752 168150624 /nfs/dbraw/zinc/15/06/24/168150624.db2.gz ODSCCLNDZCWOMZ-UHFFFAOYSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COCC1(C[NH3+])CC1 19091823 168150627 /nfs/dbraw/zinc/15/06/27/168150627.db2.gz GLLBCNNWOPIIOD-UHFFFAOYSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO COCC1(C[NH3+])CCOCC1 62498473 168150670 /nfs/dbraw/zinc/15/06/70/168150670.db2.gz WYCQVILRXOLJBC-UHFFFAOYSA-N 1 0 159.229 0.388 50 0 in-vitro ACAARO COCC(=O)OC[C@H]1CCC[NH2+]C1 42768501 168150698 /nfs/dbraw/zinc/15/06/98/168150698.db2.gz QMHBENLUKKZQKT-QMMMGPOBSA-N 1 0 187.239 0.176 50 0 ACAARO COCC1([NH3+])CCCC1 19090728 168150806 /nfs/dbraw/zinc/15/08/06/168150806.db2.gz ALMYLABZOCCULD-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO COCC(C)(C)N1CC[NH2+]CC1 115201137 168150839 /nfs/dbraw/zinc/15/08/39/168150839.db2.gz GXIKUKNOGCVDIN-UHFFFAOYSA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO COCC1([NH3+])CC1 54404904 168150958 /nfs/dbraw/zinc/15/09/58/168150958.db2.gz KWXIMSDLQSTXBC-UHFFFAOYSA-N 1 0 101.149 0.124 50 0 ACAARO COCC(=O)OCC1CC[NH2+]CC1 42768505 168151127 /nfs/dbraw/zinc/15/11/27/168151127.db2.gz DJRITDKGYUIQOT-UHFFFAOYSA-N 1 0 187.239 0.176 50 0 ACAARO COCC1=CC[NH2+]CC1 34299900 168151178 /nfs/dbraw/zinc/15/11/78/168151178.db2.gz MRFIPTCIQWTHBC-UHFFFAOYSA-N 1 0 127.187 0.553 50 0 in-vitro ACAARO COCC1(C)C[NH2+]C1 98209964 168151335 /nfs/dbraw/zinc/15/13/35/168151335.db2.gz CSHZUQSDZADLIZ-UHFFFAOYSA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO COCC1CC[NH2+]CC1 4234809 168151380 /nfs/dbraw/zinc/15/13/80/168151380.db2.gz IHJDIDHHEBJPDL-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COCCC1(C[NH3+])CCOCC1 34927132 168151489 /nfs/dbraw/zinc/15/14/89/168151489.db2.gz ASAQIHMTUYVBOL-UHFFFAOYSA-N 1 0 173.256 0.778 50 0 in-vitro ACAARO COCCC1(C)C[NH2+]C1 86395277 168151556 /nfs/dbraw/zinc/15/15/56/168151556.db2.gz RHYUMMIDDAMJDK-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COCCCC[NH3+] 2575221 168151636 /nfs/dbraw/zinc/15/16/36/168151636.db2.gz YUUFAJOXLZUDJG-UHFFFAOYSA-N 1 0 103.165 0.372 50 0 in-vitro ACAARO COCCC1([NH3+])CCC1 83571298 168151880 /nfs/dbraw/zinc/15/18/80/168151880.db2.gz AHGCSPNLZVXQFT-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO COCCC1([NH3+])CC1 54404910 168152217 /nfs/dbraw/zinc/15/22/17/168152217.db2.gz JNXFZENQJRJCPG-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO COCCCCC[NH3+] 37754189 168152335 /nfs/dbraw/zinc/15/23/35/168152335.db2.gz DMRHQYSRQGGRCK-UHFFFAOYSA-N 1 0 117.192 0.762 50 0 in-vitro ACAARO COCCC1(C[NH3+])CC1 82163886 168152634 /nfs/dbraw/zinc/15/26/34/168152634.db2.gz KVVDXAXWEQPPIN-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO COCCCC(N)=[NH2+] 19475863 168152861 /nfs/dbraw/zinc/15/28/61/168152861.db2.gz PORUULVZUHMYKC-UHFFFAOYSA-N 1 0 116.164 0.349 50 0 in-vitro ACAARO COCCCCN1CC[NH2+]CC1 22029056 168152900 /nfs/dbraw/zinc/15/29/00/168152900.db2.gz RCUHJBWDIITPIC-UHFFFAOYSA-N 1 0 172.272 0.318 50 0 in-vitro ACAARO COCCC(C)(C)[NH3+] 45020075 168152908 /nfs/dbraw/zinc/15/29/08/168152908.db2.gz UOTJBZGEOWJGED-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO COCCC1C[NH2+]C1 83824197 168152946 /nfs/dbraw/zinc/15/29/46/168152946.db2.gz LVMHSYVPSYTPQK-UHFFFAOYSA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO COCCC[N@H+](C)C1CC[NH2+]CC1 34928834 168154013 /nfs/dbraw/zinc/15/40/13/168154013.db2.gz IMJQAFDJHRCDGP-UHFFFAOYSA-N 1 0 186.299 0.707 50 0 ACAARO COCCCN1[C@@H](C)C[NH2+]C[C@@H]1C 19801229 168154025 /nfs/dbraw/zinc/15/40/25/168154025.db2.gz DPSUQWDRXJRCAK-UWVGGRQHSA-N 1 0 186.299 0.705 50 0 ACAARO COCCCNC(=O)[C@H]([NH3+])C(C)C 36926696 168154131 /nfs/dbraw/zinc/15/41/31/168154131.db2.gz VFRGDPRRJHDCQW-MRVPVSSYSA-N 1 0 188.271 0.122 50 0 ACAARO COCCC[NH2+]C1CCN(C)CC1 2383000 168154189 /nfs/dbraw/zinc/15/41/89/168154189.db2.gz HZXTVHVKRLJKAY-UHFFFAOYSA-N 1 0 186.299 0.707 50 0 ACAARO COCCCN1[C@@H](C)C[NH2+]C[C@H]1C 22910986 168154292 /nfs/dbraw/zinc/15/42/92/168154292.db2.gz DPSUQWDRXJRCAK-AOOOYVTPSA-N 1 0 186.299 0.705 50 0 ACAARO COCCC[N@@H+]1CC[C@H](C[NH3+])C1 54956845 168154595 /nfs/dbraw/zinc/15/45/95/168154595.db2.gz FURWGAXOMMXUJR-SECBINFHSA-N 1 0 172.272 0.304 50 0 in-vitro ACAARO COCCC[N@@H+]1CC[C@@H](C[NH3+])C1 54956847 168154911 /nfs/dbraw/zinc/15/49/11/168154911.db2.gz FURWGAXOMMXUJR-VIFPVBQESA-N 1 0 172.272 0.304 50 0 in-vitro ACAARO COCCC[NH+]1CCC(O)CC1 41198716 168155031 /nfs/dbraw/zinc/15/50/31/168155031.db2.gz ZJHUFUNDFQXUFX-UHFFFAOYSA-N 1 0 173.256 0.480 50 0 ACAARO COCCCNC(=O)[C@@H]([NH3+])C(C)C 11958301 168155037 /nfs/dbraw/zinc/15/50/37/168155037.db2.gz VFRGDPRRJHDCQW-QMMMGPOBSA-N 1 0 188.271 0.122 50 0 ACAARO COCCC[NH+](C)C 2565133 168155383 /nfs/dbraw/zinc/15/53/83/168155383.db2.gz VIVLBCLZNBHPGE-UHFFFAOYSA-N 1 0 117.192 0.585 50 0 ACAARO COCCCN1[C@H](C)C[NH2+]C[C@H]1C 19801230 168155404 /nfs/dbraw/zinc/15/54/04/168155404.db2.gz DPSUQWDRXJRCAK-NXEZZACHSA-N 1 0 186.299 0.705 50 0 ACAARO COCCC[NH2+]CCC(=O)OC 19736861 168155468 /nfs/dbraw/zinc/15/54/68/168155468.db2.gz AXUYZGMJXVRTFD-UHFFFAOYSA-N 1 0 175.228 0.176 50 0 ACAARO COCCCOC1C[NH2+]C1 42769833 168156106 /nfs/dbraw/zinc/15/61/06/168156106.db2.gz VMXPYEXAUPRHIC-UHFFFAOYSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCCC[NH2+][C@@H](C)COC 37753649 168156263 /nfs/dbraw/zinc/15/62/63/168156263.db2.gz PXDBZKQRXRQHOP-QMMMGPOBSA-N 1 0 161.245 0.647 50 0 ACAARO COCCCOC[C@@H]1CC[NH2+]C1 42772109 168156690 /nfs/dbraw/zinc/15/66/90/168156690.db2.gz LIAIVOQFQLFIMI-SECBINFHSA-N 1 0 173.256 0.649 50 0 ACAARO COCCC[NH2+][C@H](C)COC 37753650 168156888 /nfs/dbraw/zinc/15/68/88/168156888.db2.gz PXDBZKQRXRQHOP-MRVPVSSYSA-N 1 0 161.245 0.647 50 0 ACAARO COCCCOC[C@H]1CC[NH2+]C1 42772113 168156932 /nfs/dbraw/zinc/15/69/32/168156932.db2.gz LIAIVOQFQLFIMI-VIFPVBQESA-N 1 0 173.256 0.649 50 0 ACAARO COCCC[NH2+]CCOC 36379734 168157125 /nfs/dbraw/zinc/15/71/25/168157125.db2.gz ZFEPKWBVAZOERZ-UHFFFAOYSA-N 1 0 147.218 0.259 50 0 in-vitro ACAARO COCCCOC1CC[NH2+]CC1 37747448 168157221 /nfs/dbraw/zinc/15/72/21/168157221.db2.gz ITYSLFBEYUSSLQ-UHFFFAOYSA-N 1 0 173.256 0.792 50 0 in-vitro ACAARO COCCCO[C@@H]1CC[NH2+]C1 42776077 168157711 /nfs/dbraw/zinc/15/77/11/168157711.db2.gz RKTZFZWVACHUCH-MRVPVSSYSA-N 1 0 159.229 0.401 50 0 ACAARO COCCCn1cnnc1[C@@H](C)[NH3+] 19090555 168158210 /nfs/dbraw/zinc/15/82/10/168158210.db2.gz KDSWXMLNEKTZHD-SSDOTTSWSA-N 1 0 184.243 0.334 50 0 ACAARO COCC[NH+](C)CCOC 32250787 168158214 /nfs/dbraw/zinc/15/82/14/168158214.db2.gz WOMNOVKEEOBOTB-UHFFFAOYSA-N 1 0 147.218 0.211 50 0 ACAARO COCC[NH+](C)C 15119417 168158335 /nfs/dbraw/zinc/15/83/35/168158335.db2.gz HMVFITKXZCNKSS-UHFFFAOYSA-N 1 0 103.165 0.194 50 0 ACAARO COCCCO[C@H]1CC[NH2+]C1 42776081 168158537 /nfs/dbraw/zinc/15/85/37/168158537.db2.gz RKTZFZWVACHUCH-QMMMGPOBSA-N 1 0 159.229 0.401 50 0 ACAARO COCCC[C@@H](C)[NH3+] 37479263 168158652 /nfs/dbraw/zinc/15/86/52/168158652.db2.gz IHOSGQNITWBNBN-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 ACAARO COCC[N@H+](C)CCC(=O)OC 34925159 168158755 /nfs/dbraw/zinc/15/87/55/168158755.db2.gz XWWRGUHDMJJGMD-UHFFFAOYSA-N 1 0 175.228 0.128 50 0 ACAARO COCCCO[C@H]1CCC[NH2+]C1 37753945 168158787 /nfs/dbraw/zinc/15/87/87/168158787.db2.gz QLSALHVHSLZROW-VIFPVBQESA-N 1 0 173.256 0.792 50 0 ACAARO COCCCO[C@@H]1CCC[NH2+]C1 37753944 168158810 /nfs/dbraw/zinc/15/88/10/168158810.db2.gz QLSALHVHSLZROW-SECBINFHSA-N 1 0 173.256 0.792 50 0 ACAARO COCCC[C@H](C)[NH3+] 37479261 168158903 /nfs/dbraw/zinc/15/89/03/168158903.db2.gz IHOSGQNITWBNBN-LURJTMIESA-N 1 0 117.192 0.760 50 0 ACAARO COCCCn1cnnc1[C@H](C)[NH3+] 19090559 168158940 /nfs/dbraw/zinc/15/89/40/168158940.db2.gz KDSWXMLNEKTZHD-ZETCQYMHSA-N 1 0 184.243 0.334 50 0 ACAARO COCC[NH+]1CCC(O)CC1 39060315 168159477 /nfs/dbraw/zinc/15/94/77/168159477.db2.gz AIWUZVDERRAYFV-UHFFFAOYSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 72121917 168159645 /nfs/dbraw/zinc/15/96/45/168159645.db2.gz BAFMMLHYUHAVQP-NSHDSACASA-N 1 0 198.310 0.708 50 0 ACAARO COCCN1CCC[C@@H]1C[NH3+] 19843276 168159751 /nfs/dbraw/zinc/15/97/51/168159751.db2.gz ZYIDBOZXSPLZTK-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 ACAARO COCC[N@@H+]1CCC[C@@H]1CO 50114083 168159814 /nfs/dbraw/zinc/15/98/14/168159814.db2.gz CTJVNFHTNRUVII-MRVPVSSYSA-N 1 0 159.229 0.090 50 0 ACAARO COCCN(CC[NH3+])Cc1ccco1 32009650 168159963 /nfs/dbraw/zinc/15/99/63/168159963.db2.gz UPDXYDHHQYTRFH-UHFFFAOYSA-N 1 0 198.266 0.687 50 0 ACAARO COCCN1CCC(=O)[C@H](C)[C@H]1C 54954704 168160195 /nfs/dbraw/zinc/16/01/95/168160195.db2.gz YMUKGDAOKKQTSW-RKDXNWHRSA-N 1 0 185.267 0.932 50 0 ACAARO COCC[N@H+](C)Cc1ccnc(N)c1 52730152 168160848 /nfs/dbraw/zinc/16/08/48/168160848.db2.gz CCROGNJNLALLND-UHFFFAOYSA-N 1 0 195.266 0.742 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 82645416 168161037 /nfs/dbraw/zinc/16/10/37/168161037.db2.gz FONBDIUFZYWWLH-VHSXEESVSA-N 1 0 186.299 0.692 50 0 in-vitro ACAARO COCCN1CCC(=O)[C@H](C)[C@@H]1C 54954700 168161279 /nfs/dbraw/zinc/16/12/79/168161279.db2.gz YMUKGDAOKKQTSW-BDAKNGLRSA-N 1 0 185.267 0.932 50 0 ACAARO COCCN1CCC(=O)[C@@H](C)[C@@H]1C 54954703 168161312 /nfs/dbraw/zinc/16/13/12/168161312.db2.gz YMUKGDAOKKQTSW-IUCAKERBSA-N 1 0 185.267 0.932 50 0 ACAARO COCC[N@@H+]1CCC[C@@H](CO)C1 19089188 168161414 /nfs/dbraw/zinc/16/14/14/168161414.db2.gz WQIIVOMLZRWTBB-SECBINFHSA-N 1 0 173.256 0.337 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@H](CO)C1 19089191 168161441 /nfs/dbraw/zinc/16/14/41/168161441.db2.gz WQIIVOMLZRWTBB-VIFPVBQESA-N 1 0 173.256 0.337 50 0 in-vitro ACAARO COCCN(C)C[C@@H]1CCC[NH2+]1 42460228 168161472 /nfs/dbraw/zinc/16/14/72/168161472.db2.gz RNVVBOHNENATDV-VIFPVBQESA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO COCCN(CC[NH3+])C1CC1 41160930 168161490 /nfs/dbraw/zinc/16/14/90/168161490.db2.gz FJZJBUNEJJXPRH-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO COCC[NH+]1CCC(CO)CC1 19089181 168161672 /nfs/dbraw/zinc/16/16/72/168161672.db2.gz PTNHYVCQMCBKIS-UHFFFAOYSA-N 1 0 173.256 0.337 50 0 in-vitro ACAARO COCCN1CCC(=O)[C@@H](C)[C@H]1C 54954707 168161721 /nfs/dbraw/zinc/16/17/21/168161721.db2.gz YMUKGDAOKKQTSW-DTWKUNHWSA-N 1 0 185.267 0.932 50 0 ACAARO COCC[N@@H+]1CCC[C@@H](C[NH3+])C1 19088920 168161775 /nfs/dbraw/zinc/16/17/75/168161775.db2.gz RNIOWKZBHNSSMI-VIFPVBQESA-N 1 0 172.272 0.304 50 0 in-vitro ACAARO COCCN(C)C[C@H]1CCC[NH2+]1 42460230 168161835 /nfs/dbraw/zinc/16/18/35/168161835.db2.gz RNVVBOHNENATDV-SECBINFHSA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@H](C[NH3+])C1 19088922 168161861 /nfs/dbraw/zinc/16/18/61/168161861.db2.gz RNIOWKZBHNSSMI-SECBINFHSA-N 1 0 172.272 0.304 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645418 168162052 /nfs/dbraw/zinc/16/20/52/168162052.db2.gz FONBDIUFZYWWLH-NXEZZACHSA-N 1 0 186.299 0.692 50 0 in-vitro ACAARO COCCN1CC[NH2+]C(C)(C)C1 41168584 168162676 /nfs/dbraw/zinc/16/26/76/168162676.db2.gz WABUYNGRIUGNEG-UHFFFAOYSA-N 1 0 172.272 0.317 50 0 ACAARO COCCN1[C@H](C)C[NH2+]C[C@H]1C 19801228 168163343 /nfs/dbraw/zinc/16/33/43/168163343.db2.gz NHGOZVXVXAQQMC-RKDXNWHRSA-N 1 0 172.272 0.315 50 0 in-vitro ACAARO COCCN1CCC[C@H]1C[NH3+] 19843277 168163384 /nfs/dbraw/zinc/16/33/84/168163384.db2.gz ZYIDBOZXSPLZTK-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 ACAARO COCCN1[C@@H](C)C[NH2+]C[C@H]1C 22910983 168163602 /nfs/dbraw/zinc/16/36/02/168163602.db2.gz NHGOZVXVXAQQMC-DTORHVGOSA-N 1 0 172.272 0.315 50 0 in-vitro ACAARO COCC[N@@H+]1CCC[C@H]1CO 50114085 168164788 /nfs/dbraw/zinc/16/47/88/168164788.db2.gz CTJVNFHTNRUVII-QMMMGPOBSA-N 1 0 159.229 0.090 50 0 ACAARO COCCN1[C@@H](C)C[NH2+]C[C@@H]1C 19801227 168164840 /nfs/dbraw/zinc/16/48/40/168164840.db2.gz NHGOZVXVXAQQMC-IUCAKERBSA-N 1 0 172.272 0.315 50 0 in-vitro ACAARO COCC[N@@H+]1CC[C@](C)(CO)C1 1655594 168164927 /nfs/dbraw/zinc/16/49/27/168164927.db2.gz NWWQREQNRHOAOX-VIFPVBQESA-N 1 0 173.256 0.337 50 0 ACAARO COCC[N@@H+]1CC[C@@](C)(CO)C1 5045590 168164970 /nfs/dbraw/zinc/16/49/70/168164970.db2.gz NWWQREQNRHOAOX-SECBINFHSA-N 1 0 173.256 0.337 50 0 ACAARO COCC[NH2+]C(C)C 2516941 168165233 /nfs/dbraw/zinc/16/52/33/168165233.db2.gz UMCVTLHNNUEZDO-UHFFFAOYSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO COCC[NH2+]CCc1ccncc1 37486079 168165354 /nfs/dbraw/zinc/16/53/54/168165354.db2.gz WSVYMYMPCAIHKG-UHFFFAOYSA-N 1 0 180.251 0.860 50 0 ACAARO COCC[NH2+]Cc1c(C)nn(C)c1C 11920321 168165745 /nfs/dbraw/zinc/16/57/45/168165745.db2.gz KHYLVJPAICJMIW-UHFFFAOYSA-N 1 0 197.282 0.773 50 0 in-vitro ACAARO COCC[NH2+]CC(C)C 19881222 168165849 /nfs/dbraw/zinc/16/58/49/168165849.db2.gz CUVKEYZZIXTRKC-UHFFFAOYSA-N 1 0 131.219 0.878 50 0 in-vitro ACAARO COCC[NH2+]CC1CC1 19093337 168165853 /nfs/dbraw/zinc/16/58/53/168165853.db2.gz XOMOOAMCPDDKCS-UHFFFAOYSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COCCNCC(F)F 37755672 168166166 /nfs/dbraw/zinc/16/61/66/168166166.db2.gz GGOBQEUBVUEHEL-UHFFFAOYSA-N 1 0 139.145 0.488 50 0 in-vitro ACAARO COCC[NH2+]CCC[NH+](C)C 20054134 168166216 /nfs/dbraw/zinc/16/62/16/168166216.db2.gz ZRBJURRZDDZZAK-UHFFFAOYSA-N 1 0 160.261 0.174 50 0 in-vitro ACAARO COCC[NH2+]C[C@@H]1CCCO1 19090251 168166293 /nfs/dbraw/zinc/16/62/93/168166293.db2.gz XFMVWTLWOAPUIJ-QMMMGPOBSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO COCC[NH2+]C[C@H]1CCCO1 19090254 168166455 /nfs/dbraw/zinc/16/64/55/168166455.db2.gz XFMVWTLWOAPUIJ-MRVPVSSYSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO COCC[NH2+]C1CC1 19282257 168166542 /nfs/dbraw/zinc/16/65/42/168166542.db2.gz FLGBPLJSLMGJAR-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO COCC[NH2+]C[C@@H]1CCOC1 19881682 168166554 /nfs/dbraw/zinc/16/65/54/168166554.db2.gz KPXQKDHXRUSCKB-QMMMGPOBSA-N 1 0 159.229 0.259 50 0 ACAARO COCCNCC(=O)OC(C)(C)C 37390585 168166799 /nfs/dbraw/zinc/16/67/99/168166799.db2.gz WZZARLZSGLWDMC-UHFFFAOYSA-N 1 0 189.255 0.564 50 0 in-vitro ACAARO COCC[NH2+]C[C@H]1CCOC1 19881684 168166848 /nfs/dbraw/zinc/16/68/48/168166848.db2.gz KPXQKDHXRUSCKB-MRVPVSSYSA-N 1 0 159.229 0.259 50 0 ACAARO COCC[NH2+]C1CCOCC1 36303732 168166877 /nfs/dbraw/zinc/16/68/77/168166877.db2.gz WUJJFAJEWFANNV-UHFFFAOYSA-N 1 0 159.229 0.401 50 0 ACAARO COCC[NH2+]Cc1nccn1C 4243960 168167303 /nfs/dbraw/zinc/16/73/03/168167303.db2.gz BMTPEUPHUQKYSP-UHFFFAOYSA-N 1 0 169.228 0.156 50 0 ACAARO COCC[NH2+][C@H](C)COC 20041920 168167349 /nfs/dbraw/zinc/16/73/49/168167349.db2.gz BWIQDBIDABMYHF-SSDOTTSWSA-N 1 0 147.218 0.257 50 0 in-vitro ACAARO COCC[NH2+][C@H]1CN2CCC1CC2 20070794 168167356 /nfs/dbraw/zinc/16/73/56/168167356.db2.gz QWPYTTPHQXGSTQ-JTQLQIEISA-N 1 0 184.283 0.317 50 0 ACAARO COCC[NH2+]Cc1ccncc1 7274778 168167437 /nfs/dbraw/zinc/16/74/37/168167437.db2.gz VBNYWGQQJIOOFJ-UHFFFAOYSA-N 1 0 166.224 0.818 50 0 in-vitro ACAARO COCC[NH2+][C@@H]1CCCC[C@H]1O 37490561 168167540 /nfs/dbraw/zinc/16/75/40/168167540.db2.gz PYYBPVQMJOOWNO-RKDXNWHRSA-N 1 0 173.256 0.526 50 0 ACAARO COCC[NH2+][C@H]1CCO[C@@H]1C 98096619 168167586 /nfs/dbraw/zinc/16/75/86/168167586.db2.gz TYEVHLJAVSOONI-SFYZADRCSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO COCC[NH2+][C@@H](C)COC 20041917 168167589 /nfs/dbraw/zinc/16/75/89/168167589.db2.gz BWIQDBIDABMYHF-ZETCQYMHSA-N 1 0 147.218 0.257 50 0 in-vitro ACAARO COCC[NH2+][C@H]1CCO[C@H]1C 98096620 168167592 /nfs/dbraw/zinc/16/75/92/168167592.db2.gz TYEVHLJAVSOONI-YUMQZZPRSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO COCC[NH2+][C@@H]1CCOC1 70962386 168167607 /nfs/dbraw/zinc/16/76/07/168167607.db2.gz ZIJGMQSKZSFBRT-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCC[NH2+][C@H]1CCOC1 70962391 168167662 /nfs/dbraw/zinc/16/76/62/168167662.db2.gz ZIJGMQSKZSFBRT-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCC[NH2+][C@@H]1CCO[C@@H]1C 98096617 168167763 /nfs/dbraw/zinc/16/77/63/168167763.db2.gz TYEVHLJAVSOONI-HTQZYQBOSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO COCC[NH2+]Cc1ncc[nH]1 22861400 168167935 /nfs/dbraw/zinc/16/79/35/168167935.db2.gz QOSHGQWDBPOJNG-UHFFFAOYSA-N 1 0 155.201 0.146 50 0 in-vitro ACAARO COCC[NH2+][C@H]1CCSC1 19881167 168167984 /nfs/dbraw/zinc/16/79/84/168167984.db2.gz LKVZRMKXUHQEBE-ZETCQYMHSA-N 1 0 161.270 0.728 50 0 in-vitro ACAARO COCC[NH2+]Cc1cccn1C 16382575 168168034 /nfs/dbraw/zinc/16/80/34/168168034.db2.gz CJGDDTUSCTYPSQ-UHFFFAOYSA-N 1 0 168.240 0.761 50 0 ACAARO COCC[NH2+]Cc1cccnc1 7274776 168168190 /nfs/dbraw/zinc/16/81/90/168168190.db2.gz SFOQTGDGRQEINN-UHFFFAOYSA-N 1 0 166.224 0.818 50 0 in-vitro ACAARO COCC[NH2+]Cc1cnn(C)c1 11920299 168168195 /nfs/dbraw/zinc/16/81/95/168168195.db2.gz QTJBDRHCCNCVDW-UHFFFAOYSA-N 1 0 169.228 0.156 50 0 in-vitro ACAARO COCC[NH2+][C@@H]1CCO[C@H]1C 98096618 168168578 /nfs/dbraw/zinc/16/85/78/168168578.db2.gz TYEVHLJAVSOONI-JGVFFNPUSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO COCC[NH2+]Cc1ccnn1C 36901032 168168613 /nfs/dbraw/zinc/16/86/13/168168613.db2.gz VDEZQKWQEXPHQV-UHFFFAOYSA-N 1 0 169.228 0.156 50 0 in-vitro ACAARO COCC[NH2+]Cc1cncs1 54769795 168168674 /nfs/dbraw/zinc/16/86/74/168168674.db2.gz DXNSGFQKBOQPSB-UHFFFAOYSA-N 1 0 172.253 0.879 50 0 in-vitro ACAARO COCC[NH2+][C@@H]1CN2CCC1CC2 20070791 168168798 /nfs/dbraw/zinc/16/87/98/168168798.db2.gz QWPYTTPHQXGSTQ-SNVBAGLBSA-N 1 0 184.283 0.317 50 0 ACAARO COCC[NH2+][C@@H]1CCSC1 19881163 168168843 /nfs/dbraw/zinc/16/88/43/168168843.db2.gz LKVZRMKXUHQEBE-SSDOTTSWSA-N 1 0 161.270 0.728 50 0 in-vitro ACAARO COCC[NH2+]Cc1ccccn1 6650951 168168880 /nfs/dbraw/zinc/16/88/80/168168880.db2.gz IMHLUDNQZHMEKM-UHFFFAOYSA-N 1 0 166.224 0.818 50 0 in-vitro ACAARO COCCNc1cc[nH+]cc1N 19755420 168169317 /nfs/dbraw/zinc/16/93/17/168169317.db2.gz XPQGGJHFUOMKTM-UHFFFAOYSA-N 1 0 167.212 0.722 50 0 in-vitro ACAARO COCCOCCO[C@H]1CC[NH2+]C1 42775919 168169443 /nfs/dbraw/zinc/16/94/43/168169443.db2.gz AIFXXUOTJNAPIK-VIFPVBQESA-N 1 0 189.255 0.028 50 0 ACAARO COCCOCC[NH2+]C1CC1 44059820 168169447 /nfs/dbraw/zinc/16/94/47/168169447.db2.gz ZMQJTLKQOVMZDM-UHFFFAOYSA-N 1 0 159.229 0.401 50 0 ACAARO COCCOC[C@H]1CC[NH2+]C1 42771605 168169644 /nfs/dbraw/zinc/16/96/44/168169644.db2.gz OYMPLWUGFWDEPK-QMMMGPOBSA-N 1 0 159.229 0.259 50 0 in-vitro ACAARO COCCOC[C@H]1CCC[NH2+]C1 14631064 168169789 /nfs/dbraw/zinc/16/97/89/168169789.db2.gz QTRQPHPARKUFKA-VIFPVBQESA-N 1 0 173.256 0.649 50 0 in-vitro ACAARO COCCOCCCC[NH3+] 19396319 168169922 /nfs/dbraw/zinc/16/99/22/168169922.db2.gz RRJBLJLXPZKMPV-UHFFFAOYSA-N 1 0 147.218 0.388 50 0 in-vitro ACAARO COCCOCC[C@H]1CC[NH2+]C1 42784172 168170087 /nfs/dbraw/zinc/17/00/87/168170087.db2.gz GXWQLMDRJDEBGG-SECBINFHSA-N 1 0 173.256 0.649 50 0 ACAARO COCCOCCO[C@@H]1CC[NH2+]C1 42775914 168170214 /nfs/dbraw/zinc/17/02/14/168170214.db2.gz AIFXXUOTJNAPIK-SECBINFHSA-N 1 0 189.255 0.028 50 0 ACAARO COCCOC1(C[NH3+])CCOCC1 83401823 168170217 /nfs/dbraw/zinc/17/02/17/168170217.db2.gz MXNCJXZRMFSFMR-UHFFFAOYSA-N 1 0 189.255 0.157 50 0 ACAARO COCCOCC[C@@H]1CC[NH2+]C1 42784171 168170286 /nfs/dbraw/zinc/17/02/86/168170286.db2.gz GXWQLMDRJDEBGG-VIFPVBQESA-N 1 0 173.256 0.649 50 0 ACAARO COCCOCC1CC[NH2+]CC1 14631376 168170375 /nfs/dbraw/zinc/17/03/75/168170375.db2.gz ABYBCIRRPMEDIX-UHFFFAOYSA-N 1 0 173.256 0.649 50 0 in-vitro ACAARO COCCOC[C@@H]1CC[NH2+]C1 42771601 168170496 /nfs/dbraw/zinc/17/04/96/168170496.db2.gz OYMPLWUGFWDEPK-MRVPVSSYSA-N 1 0 159.229 0.259 50 0 in-vitro ACAARO COCCOC[C@@H]1CCC[NH2+]C1 14631062 168170524 /nfs/dbraw/zinc/17/05/24/168170524.db2.gz QTRQPHPARKUFKA-SECBINFHSA-N 1 0 173.256 0.649 50 0 in-vitro ACAARO COCCOCCOCCC[NH3+] 70027719 168170552 /nfs/dbraw/zinc/17/05/52/168170552.db2.gz VBDATSSUKFRRCY-UHFFFAOYSA-N 1 0 177.244 0.015 50 0 in-vitro ACAARO COCCOC1CC[NH2+]CC1 14631862 168170716 /nfs/dbraw/zinc/17/07/16/168170716.db2.gz KTXVOCUROHMWQP-UHFFFAOYSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO COCCO[C@H]1CCCC[C@H]1[NH3+] 19385418 168170909 /nfs/dbraw/zinc/17/09/09/168170909.db2.gz JOZSAZCGWGBUCD-BDAKNGLRSA-N 1 0 173.256 0.919 50 0 ACAARO COCCO[C@H]1CCC[C@H]1[NH3+] 19385838 168171069 /nfs/dbraw/zinc/17/10/69/168171069.db2.gz ODGMAPIOOADAMM-SFYZADRCSA-N 1 0 159.229 0.529 50 0 ACAARO COCCO[C@@H]1CCC[NH2+]C1 14631547 168171120 /nfs/dbraw/zinc/17/11/20/168171120.db2.gz WHQOIXYNVRFCJC-MRVPVSSYSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO COCCO[C@@H]1CCCC[C@@H]1[NH3+] 19385412 168171191 /nfs/dbraw/zinc/17/11/91/168171191.db2.gz JOZSAZCGWGBUCD-DTWKUNHWSA-N 1 0 173.256 0.919 50 0 ACAARO COCCOc1ccc(C[NH3+])cn1 19267228 168171193 /nfs/dbraw/zinc/17/11/93/168171193.db2.gz UTHBNFPZTQYWNE-UHFFFAOYSA-N 1 0 182.223 0.566 50 0 in-vitro ACAARO COCCOc1cc(C[NH3+])ccn1 19265910 168171309 /nfs/dbraw/zinc/17/13/09/168171309.db2.gz BRDQWKRPHMUHJI-UHFFFAOYSA-N 1 0 182.223 0.566 50 0 ACAARO COCCO[C@H]1CC[NH2+]C1 36142130 168171384 /nfs/dbraw/zinc/17/13/84/168171384.db2.gz IUCVEPJVGGMMLK-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCCO[C@@H]1CCC[C@H]1[NH3+] 19385836 168171624 /nfs/dbraw/zinc/17/16/24/168171624.db2.gz ODGMAPIOOADAMM-HTQZYQBOSA-N 1 0 159.229 0.529 50 0 ACAARO COCCOc1ncccc1C[NH3+] 19384828 168171627 /nfs/dbraw/zinc/17/16/27/168171627.db2.gz IOWOFWHVCQMKGA-UHFFFAOYSA-N 1 0 182.223 0.566 50 0 ACAARO COCCO[C@@H]1CC[NH2+]C1 36142129 168171761 /nfs/dbraw/zinc/17/17/61/168171761.db2.gz IUCVEPJVGGMMLK-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCCOc1ccc(C(N)=[NH2+])cc1 19516383 168171865 /nfs/dbraw/zinc/17/18/65/168171865.db2.gz CGDGOOJAIYOGLS-UHFFFAOYSA-N 1 0 194.234 0.996 50 0 in-vitro ACAARO COCCO[C@H]1CCC[NH2+]C1 14631549 168172157 /nfs/dbraw/zinc/17/21/57/168172157.db2.gz WHQOIXYNVRFCJC-QMMMGPOBSA-N 1 0 159.229 0.401 50 0 in-vitro ACAARO COCCO[C@H]1CCCC[C@@H]1[NH3+] 19385414 168172162 /nfs/dbraw/zinc/17/21/62/168172162.db2.gz JOZSAZCGWGBUCD-IUCAKERBSA-N 1 0 173.256 0.919 50 0 ACAARO COCCO[C@@H]1CCCC[C@H]1[NH3+] 19385415 168172237 /nfs/dbraw/zinc/17/22/37/168172237.db2.gz JOZSAZCGWGBUCD-RKDXNWHRSA-N 1 0 173.256 0.919 50 0 ACAARO COCCO[C@@H]1CCC[C@@H]1[NH3+] 19385832 168172257 /nfs/dbraw/zinc/17/22/57/168172257.db2.gz ODGMAPIOOADAMM-JGVFFNPUSA-N 1 0 159.229 0.529 50 0 ACAARO COCCOc1cccc(C(N)=[NH2+])c1 19505005 168172266 /nfs/dbraw/zinc/17/22/66/168172266.db2.gz AFBGLRWMSLNXIA-UHFFFAOYSA-N 1 0 194.234 0.996 50 0 in-vitro ACAARO COCCOc1ccccc1C(N)=[NH2+] 19479929 168172334 /nfs/dbraw/zinc/17/23/34/168172334.db2.gz MBLIQHCRKRGIID-UHFFFAOYSA-N 1 0 194.234 0.996 50 0 in-vitro ACAARO COCCO[C@H]1CCC[C@@H]1[NH3+] 19385834 168172347 /nfs/dbraw/zinc/17/23/47/168172347.db2.gz ODGMAPIOOADAMM-YUMQZZPRSA-N 1 0 159.229 0.529 50 0 ACAARO COCC[C@@H]1C[NH2+]CCO1 19090938 168172551 /nfs/dbraw/zinc/17/25/51/168172551.db2.gz JNWROOKZZWOBBE-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCC[C@@]1([NH3+])CCOC1 83186547 168172860 /nfs/dbraw/zinc/17/28/60/168172860.db2.gz SVOJDHJGVNRIOJ-SSDOTTSWSA-N 1 0 145.202 0.141 50 0 in-vitro ACAARO COCC[C@@H]1CC[NH2+]C1 42784167 168172901 /nfs/dbraw/zinc/17/29/01/168172901.db2.gz SKFLASNDSQYPGT-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COCC[C@@]1(CO)CCC[NH2+]C1 85039095 168172948 /nfs/dbraw/zinc/17/29/48/168172948.db2.gz JSVWWIGNYMFHRT-VIFPVBQESA-N 1 0 173.256 0.385 50 0 ACAARO COCC[C@@H]1CCC[NH2+]1 57660768 168173151 /nfs/dbraw/zinc/17/31/51/168173151.db2.gz XSVHOPJZMMLWKO-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO COCC[C@H](C)[NH3+] 20429247 168173263 /nfs/dbraw/zinc/17/32/63/168173263.db2.gz GASMMXGMCKCSJL-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO COCC[C@@H]1COCC[NH2+]1 82102882 168173636 /nfs/dbraw/zinc/17/36/36/168173636.db2.gz LPMJNTWDLFFUHL-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCC[C@@H](C)C[NH3+] 45019093 168173710 /nfs/dbraw/zinc/17/37/10/168173710.db2.gz REQVSLUCTVBSQV-ZCFIWIBFSA-N 1 0 117.192 0.618 50 0 ACAARO COCC[C@@H](C)[NH3+] 20429246 168173726 /nfs/dbraw/zinc/17/37/26/168173726.db2.gz GASMMXGMCKCSJL-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO COCC[C@H](C)C[NH3+] 45019091 168173838 /nfs/dbraw/zinc/17/38/38/168173838.db2.gz REQVSLUCTVBSQV-LURJTMIESA-N 1 0 117.192 0.618 50 0 ACAARO COCC[C@@]1(C(=O)OC)CC[NH2+]C1 74942246 168173967 /nfs/dbraw/zinc/17/39/67/168173967.db2.gz RQFPHTMKMAWSNB-VIFPVBQESA-N 1 0 187.239 0.176 50 0 in-vitro ACAARO COCC[C@H]1CCC[NH2+]1 57660770 168174366 /nfs/dbraw/zinc/17/43/66/168174366.db2.gz XSVHOPJZMMLWKO-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 ACAARO COCC[C@H]1CC[NH2+]C1 42784168 168174693 /nfs/dbraw/zinc/17/46/93/168174693.db2.gz SKFLASNDSQYPGT-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COCC[C@H]1C[NH2+]CCO1 19090941 168174961 /nfs/dbraw/zinc/17/49/61/168174961.db2.gz JNWROOKZZWOBBE-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCC[C@]1(C(=O)OC)CC[NH2+]C1 74942244 168175101 /nfs/dbraw/zinc/17/51/01/168175101.db2.gz RQFPHTMKMAWSNB-SECBINFHSA-N 1 0 187.239 0.176 50 0 in-vitro ACAARO COCC[C@]1(CO)CCC[NH2+]C1 85039093 168175311 /nfs/dbraw/zinc/17/53/11/168175311.db2.gz JSVWWIGNYMFHRT-SECBINFHSA-N 1 0 173.256 0.385 50 0 ACAARO COCC[C@]1([NH3+])CCOC1 83186545 168175445 /nfs/dbraw/zinc/17/54/45/168175445.db2.gz SVOJDHJGVNRIOJ-ZETCQYMHSA-N 1 0 145.202 0.141 50 0 in-vitro ACAARO COCC[C@H]1COCC[NH2+]1 82102883 168175644 /nfs/dbraw/zinc/17/56/44/168175644.db2.gz LPMJNTWDLFFUHL-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO COCCn1ncc2c1[C@H]([NH3+])CCC2 95829305 168176021 /nfs/dbraw/zinc/17/60/21/168176021.db2.gz JLYGWGZFPGZJOT-SECBINFHSA-N 1 0 195.266 0.866 50 0 in-vitro ACAARO COCCn1cc([C@H](C)[NH3+])cn1 54716849 168176282 /nfs/dbraw/zinc/17/62/82/168176282.db2.gz MQUMWJCJIIBENO-ZETCQYMHSA-N 1 0 169.228 0.549 50 0 in-vitro ACAARO COCCc1noc([C@H]2CCC[NH2+]2)n1 19089615 168176513 /nfs/dbraw/zinc/17/65/13/168176513.db2.gz AIOJUNMIGBTXBF-SSDOTTSWSA-N 1 0 197.238 0.683 50 0 ACAARO COCCn1cc([C@@H](C)[NH3+])cn1 54716850 168176791 /nfs/dbraw/zinc/17/67/91/168176791.db2.gz MQUMWJCJIIBENO-SSDOTTSWSA-N 1 0 169.228 0.549 50 0 in-vitro ACAARO COCCn1cc[nH+]c1N 98213878 168176841 /nfs/dbraw/zinc/17/68/41/168176841.db2.gz CHVJDXLZTXZOJL-UHFFFAOYSA-N 1 0 141.174 0.112 50 0 ACAARO COCCc1noc([C@@H]2CCC[NH2+]2)n1 19089611 168176857 /nfs/dbraw/zinc/17/68/57/168176857.db2.gz AIOJUNMIGBTXBF-ZETCQYMHSA-N 1 0 197.238 0.683 50 0 ACAARO COCCn1cc2c(n1)[C@@H]([NH3+])CCC2 95347983 168176923 /nfs/dbraw/zinc/17/69/23/168176923.db2.gz JRGHRSBMDKEEGM-VIFPVBQESA-N 1 0 195.266 0.866 50 0 in-vitro ACAARO COCCc1noc(CCC[NH3+])n1 42436213 168176956 /nfs/dbraw/zinc/17/69/56/168176956.db2.gz NJAVGGQHDQPQAZ-UHFFFAOYSA-N 1 0 185.227 0.150 50 0 ACAARO COCCn1c[nH+]cc1N 255187900 168177002 /nfs/dbraw/zinc/17/70/02/168177002.db2.gz HLIUFEOWNCSSJB-UHFFFAOYSA-N 1 0 141.174 0.112 50 0 ACAARO COCCn1nc(C)c(C[NH3+])c1C 37507105 168177164 /nfs/dbraw/zinc/17/71/64/168177164.db2.gz FXFJFKNRTUWXBD-UHFFFAOYSA-N 1 0 183.255 0.605 50 0 in-vitro ACAARO COCCn1cc2c(n1)[C@H]([NH3+])CCC2 95347982 168177212 /nfs/dbraw/zinc/17/72/12/168177212.db2.gz JRGHRSBMDKEEGM-SECBINFHSA-N 1 0 195.266 0.866 50 0 in-vitro ACAARO COCCn1ncc2c1[C@@H]([NH3+])CCC2 95829304 168177723 /nfs/dbraw/zinc/17/77/23/168177723.db2.gz JLYGWGZFPGZJOT-VIFPVBQESA-N 1 0 195.266 0.866 50 0 in-vitro ACAARO COCCn1cnnc1[C@H]1CCC[NH2+]1 54526053 168177753 /nfs/dbraw/zinc/17/77/53/168177753.db2.gz ZGUZEPQBLDVTPT-MRVPVSSYSA-N 1 0 196.254 0.349 50 0 ACAARO COCCn1cnnc1[C@@H]1CCC[NH2+]1 54526052 168177808 /nfs/dbraw/zinc/17/78/08/168177808.db2.gz ZGUZEPQBLDVTPT-QMMMGPOBSA-N 1 0 196.254 0.349 50 0 ACAARO COC[C@@H](C)C[NH3+] 36678250 168178122 /nfs/dbraw/zinc/17/81/22/168178122.db2.gz QKCOKEIMHOFEHO-YFKPBYRVSA-N 1 0 103.165 0.228 50 0 in-vitro ACAARO COC[C@@H](C)[NH2+]C1CCN(C)CC1 2897665 168180888 /nfs/dbraw/zinc/18/08/88/168180888.db2.gz POWQWFMHKZORAN-SECBINFHSA-N 1 0 186.299 0.705 50 0 ACAARO COC[C@@H](C)[NH2+][C@H](C)COC 32156449 168181333 /nfs/dbraw/zinc/18/13/33/168181333.db2.gz YQLOJDAYYHBIKS-HTQZYQBOSA-N 1 0 161.245 0.646 50 0 ACAARO COC[C@@H](C)[NH2+]C[C@@H]1CCCO1 20041774 168181705 /nfs/dbraw/zinc/18/17/05/168181705.db2.gz UFOVMOICFAMCBY-BDAKNGLRSA-N 1 0 173.256 0.790 50 0 ACAARO COC[C@@H](C)[NH2+]C[C@H]1CCCO1 20041780 168181828 /nfs/dbraw/zinc/18/18/28/168181828.db2.gz UFOVMOICFAMCBY-RKDXNWHRSA-N 1 0 173.256 0.790 50 0 ACAARO COC[C@@H]([NH3+])c1ccco1 70184754 168182665 /nfs/dbraw/zinc/18/26/65/168182665.db2.gz MQWDDJAFRMXKAW-ZCFIWIBFSA-N 1 0 141.170 0.926 50 0 in-vitro ACAARO COC[C@@H]([NH3+])C(C)C 19735457 168182937 /nfs/dbraw/zinc/18/29/37/168182937.db2.gz PVNWTJLUPPXWDT-ZCFIWIBFSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@@H]([NH3+])c1cnn(C)c1 43462396 168183113 /nfs/dbraw/zinc/18/31/13/168183113.db2.gz AXTVMGZNJFYTBK-SSDOTTSWSA-N 1 0 155.201 0.066 50 0 ACAARO COC[C@@H]([NH3+])c1ccnn1C 19091509 168183154 /nfs/dbraw/zinc/18/31/54/168183154.db2.gz GVXSNDGQVGYILF-ZCFIWIBFSA-N 1 0 155.201 0.066 50 0 in-vitro ACAARO COC[C@@H]([NH3+])c1ccccn1 19091483 168183290 /nfs/dbraw/zinc/18/32/90/168183290.db2.gz CRAPMNZDZNLZGR-SSDOTTSWSA-N 1 0 152.197 0.728 50 0 in-vitro ACAARO COC[C@@H]([NH3+])C1CC1 40844996 168183644 /nfs/dbraw/zinc/18/36/44/168183644.db2.gz APFVIOCNPBAUSZ-ZCFIWIBFSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@@H](C)[C@H](C)[NH3+] 69905005 168183854 /nfs/dbraw/zinc/18/38/54/168183854.db2.gz MVUUBVNVNHJSPP-RITPCOANSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@@H](C)[C@@H](C)[NH3+] 69905003 168183966 /nfs/dbraw/zinc/18/39/66/168183966.db2.gz MVUUBVNVNHJSPP-PHDIDXHHSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@@H]1C[C@H](OC)C[NH2+]1 39641795 168184416 /nfs/dbraw/zinc/18/44/16/168184416.db2.gz PPTNZOLRDCBYIX-BQBZGAKWSA-N 1 0 145.202 0.010 50 0 ACAARO COC[C@@H]1CCC[NH2+]C1 12137845 168184482 /nfs/dbraw/zinc/18/44/82/168184482.db2.gz ZVNNEPYIBDITIW-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COC[C@@H]1CCCC[NH2+]1 2582615 168184530 /nfs/dbraw/zinc/18/45/30/168184530.db2.gz IBPHVNKZLOQXAX-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO COC[C@@H]1CC[C@H]1[NH3+] 87935291 168184638 /nfs/dbraw/zinc/18/46/38/168184638.db2.gz NSUHDXDXMDDKGW-NTSWFWBYSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@@H]1CC[NH2+]C1 14632405 168184907 /nfs/dbraw/zinc/18/49/07/168184907.db2.gz GTINRJGGSAKCEO-ZCFIWIBFSA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO COC[C@@H]1CC[C@@H]1[NH3+] 87935289 168185293 /nfs/dbraw/zinc/18/52/93/168185293.db2.gz NSUHDXDXMDDKGW-WDSKDSINSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@@H]1[C@H]2C[NH2+]C[C@H]21 104616618 168185342 /nfs/dbraw/zinc/18/53/42/168185342.db2.gz ONWFLWZVGKSSKJ-ZMONIFLSSA-N 1 0 127.187 0.098 50 0 ACAARO COC[C@@H]1CCC[NH2+]1 32342 168185395 /nfs/dbraw/zinc/18/53/95/168185395.db2.gz CHPRFKYDQRKRRK-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO COC[C@@]1(C)CCC[NH2+]1 32228326 168185693 /nfs/dbraw/zinc/18/56/93/168185693.db2.gz DTELXVYYTBMURM-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 ACAARO COC[C@@H]1CCCN(CC[NH3+])C1 79391986 168186053 /nfs/dbraw/zinc/18/60/53/168186053.db2.gz OIPHPKRFFSSADF-SECBINFHSA-N 1 0 172.272 0.304 50 0 ACAARO COC[C@@]1(C)CC[NH2+]C1 53199945 168186075 /nfs/dbraw/zinc/18/60/75/168186075.db2.gz FVSRHWHSNVLUHL-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 ACAARO COC[C@@H]1CCCN1CC[NH3+] 79391972 168186240 /nfs/dbraw/zinc/18/62/40/168186240.db2.gz JYPKZINBXLSDDO-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 ACAARO COC[C@H](C)C[NH3+] 36678251 168186719 /nfs/dbraw/zinc/18/67/19/168186719.db2.gz QKCOKEIMHOFEHO-RXMQYKEDSA-N 1 0 103.165 0.228 50 0 in-vitro ACAARO COC[C@H]([NH3+])C(C)C 19735458 168189034 /nfs/dbraw/zinc/18/90/34/168189034.db2.gz PVNWTJLUPPXWDT-LURJTMIESA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@H](C)[NH2+]C1CCN(C)CC1 2897664 168189073 /nfs/dbraw/zinc/18/90/73/168189073.db2.gz POWQWFMHKZORAN-VIFPVBQESA-N 1 0 186.299 0.705 50 0 ACAARO COC[C@H](C)[NH2+]C[C@@H]1CCCO1 20041777 168189092 /nfs/dbraw/zinc/18/90/92/168189092.db2.gz UFOVMOICFAMCBY-IUCAKERBSA-N 1 0 173.256 0.790 50 0 ACAARO COC[C@H](C)[C@@H](C)[NH3+] 69905002 168189283 /nfs/dbraw/zinc/18/92/83/168189283.db2.gz MVUUBVNVNHJSPP-NTSWFWBYSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@H](C)[C@H](C)[NH3+] 69905004 168189307 /nfs/dbraw/zinc/18/93/07/168189307.db2.gz MVUUBVNVNHJSPP-WDSKDSINSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO COC[C@H](C)[NH2+][C@@H](C)COC 32156445 168189398 /nfs/dbraw/zinc/18/93/98/168189398.db2.gz YQLOJDAYYHBIKS-YUMQZZPRSA-N 1 0 161.245 0.646 50 0 ACAARO COC[C@H](C)[NH2+]C[C@H]1CCCO1 20041783 168189835 /nfs/dbraw/zinc/18/98/35/168189835.db2.gz UFOVMOICFAMCBY-DTWKUNHWSA-N 1 0 173.256 0.790 50 0 ACAARO COC[C@H](C)[NH2+][C@H](C)COC 32156441 168189981 /nfs/dbraw/zinc/18/99/81/168189981.db2.gz YQLOJDAYYHBIKS-OCAPTIKFSA-N 1 0 161.245 0.646 50 0 ACAARO COC[C@H]([NH3+])C1CC1 40844995 168190199 /nfs/dbraw/zinc/19/01/99/168190199.db2.gz APFVIOCNPBAUSZ-LURJTMIESA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@H]1CCCN(CC[NH3+])C1 79391987 168190832 /nfs/dbraw/zinc/19/08/32/168190832.db2.gz OIPHPKRFFSSADF-VIFPVBQESA-N 1 0 172.272 0.304 50 0 ACAARO COC[C@H]1CC[C@H](COC)[NH2+]1 2557988 168190871 /nfs/dbraw/zinc/19/08/71/168190871.db2.gz HDXYTIYVVNJFLU-HTQZYQBOSA-N 1 0 159.229 0.400 50 0 ACAARO COC[C@H]1CCC[NH2+]1 32341 168190873 /nfs/dbraw/zinc/19/08/73/168190873.db2.gz CHPRFKYDQRKRRK-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO COC[C@H]([NH3+])c1ccnn1C 19091512 168190881 /nfs/dbraw/zinc/19/08/81/168190881.db2.gz GVXSNDGQVGYILF-LURJTMIESA-N 1 0 155.201 0.066 50 0 in-vitro ACAARO COC[C@H]([NH3+])[C@@H](O)c1ccccc1 409381 168190974 /nfs/dbraw/zinc/19/09/74/168190974.db2.gz SNTCCWUWWYWRLN-UWVGGRQHSA-N 1 0 181.235 0.694 50 0 ACAARO COC[C@H]([NH3+])c1ccccn1 19091486 168191065 /nfs/dbraw/zinc/19/10/65/168191065.db2.gz CRAPMNZDZNLZGR-ZETCQYMHSA-N 1 0 152.197 0.728 50 0 in-vitro ACAARO COC[C@H]1CC[C@H]1[NH3+] 87935292 168191179 /nfs/dbraw/zinc/19/11/79/168191179.db2.gz NSUHDXDXMDDKGW-PHDIDXHHSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@H]1CCCC[NH2+]1 4234839 168191603 /nfs/dbraw/zinc/19/16/03/168191603.db2.gz IBPHVNKZLOQXAX-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO COC[C@H](O)C[NH+]1CCCCC1 5669855 168191671 /nfs/dbraw/zinc/19/16/71/168191671.db2.gz RCEDQBMKRMXSDJ-SECBINFHSA-N 1 0 173.256 0.480 50 0 ACAARO COC[C@H]([NH3+])c1ccco1 70184753 168191743 /nfs/dbraw/zinc/19/17/43/168191743.db2.gz MQWDDJAFRMXKAW-LURJTMIESA-N 1 0 141.170 0.926 50 0 in-vitro ACAARO COC[C@H]([NH3+])c1cnn(C)c1 43462398 168191924 /nfs/dbraw/zinc/19/19/24/168191924.db2.gz AXTVMGZNJFYTBK-ZETCQYMHSA-N 1 0 155.201 0.066 50 0 ACAARO COC[C@H]1CC[C@@H]1[NH3+] 87935290 168191989 /nfs/dbraw/zinc/19/19/89/168191989.db2.gz NSUHDXDXMDDKGW-RITPCOANSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO COC[C@H]1CC[NH2+]C1 14632406 168191994 /nfs/dbraw/zinc/19/19/94/168191994.db2.gz GTINRJGGSAKCEO-LURJTMIESA-N 1 0 115.176 0.242 50 0 in-vitro ACAARO COC[C@H]1CCCN1CC[NH3+] 79391974 168192032 /nfs/dbraw/zinc/19/20/32/168192032.db2.gz JYPKZINBXLSDDO-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 ACAARO COC[C@H]1CCC[NH2+]C1 12137846 168192041 /nfs/dbraw/zinc/19/20/41/168192041.db2.gz ZVNNEPYIBDITIW-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 in-vitro ACAARO COC[C@]1(C)CC[NH2+]C1 53199946 168192195 /nfs/dbraw/zinc/19/21/95/168192195.db2.gz FVSRHWHSNVLUHL-SSDOTTSWSA-N 1 0 129.203 0.632 50 0 ACAARO COC[C@H]1C[NH2+]C[C@@H](C)O1 68890840 168192571 /nfs/dbraw/zinc/19/25/71/168192571.db2.gz YJYOZGVMEGKXIU-RNFRBKRXSA-N 1 0 145.202 0.010 50 0 in-vitro ACAARO COCc1c(C[NH3+])cnc(C)c1N 3683886 168192658 /nfs/dbraw/zinc/19/26/58/168192658.db2.gz MGESDKOHGQHZFN-UHFFFAOYSA-N 1 0 181.239 0.577 50 0 biogenic ACAARO COC[C@H]1C[NH2+]C[C@H](C)O1 68890841 168192703 /nfs/dbraw/zinc/19/27/03/168192703.db2.gz YJYOZGVMEGKXIU-NKWVEPMBSA-N 1 0 145.202 0.010 50 0 in-vitro ACAARO COCc1cc(C[NH3+])[nH]n1 19093461 168193085 /nfs/dbraw/zinc/19/30/85/168193085.db2.gz HLOSAEZLPPECDU-UHFFFAOYSA-N 1 0 141.174 0.015 50 0 in-vitro ACAARO COC[C@]1(C)CCC[NH2+]1 32228328 168193269 /nfs/dbraw/zinc/19/32/69/168193269.db2.gz DTELXVYYTBMURM-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 ACAARO COCc1cc(C[NH3+])no1 16943522 168194272 /nfs/dbraw/zinc/19/42/72/168194272.db2.gz IGCGXAQQMDRJRS-UHFFFAOYSA-N 1 0 142.158 0.280 50 0 ACAARO COCc1nnc(C2CC[NH2+]CC2)o1 72343351 168195717 /nfs/dbraw/zinc/19/57/17/168195717.db2.gz XNUGSSNHZSJMCJ-UHFFFAOYSA-N 1 0 197.238 0.683 50 0 ACAARO COCc1nc(C[NH3+])c[nH]1 39132601 168195833 /nfs/dbraw/zinc/19/58/33/168195833.db2.gz AAJNONKJIOCCEZ-UHFFFAOYSA-N 1 0 141.174 0.015 50 0 ACAARO COCc1nc(C2CC[NH2+]CC2)no1 19686206 168196235 /nfs/dbraw/zinc/19/62/35/168196235.db2.gz LQGIPTCCHYSEGN-UHFFFAOYSA-N 1 0 197.238 0.683 50 0 ACAARO COCc1nc([C@@H]2CCC[NH2+]C2)no1 62257439 168196392 /nfs/dbraw/zinc/19/63/92/168196392.db2.gz JKNOEEYGNFRJNR-SSDOTTSWSA-N 1 0 197.238 0.683 50 0 ACAARO COCc1nc2n(n1)CCC[C@H]2[NH3+] 75772106 168196412 /nfs/dbraw/zinc/19/64/12/168196412.db2.gz PSIAIVOVWIDFHU-ZCFIWIBFSA-N 1 0 182.227 0.218 50 0 ACAARO COCc1nc2n(n1)CCC[C@@H]2[NH3+] 75772104 168196617 /nfs/dbraw/zinc/19/66/17/168196617.db2.gz PSIAIVOVWIDFHU-LURJTMIESA-N 1 0 182.227 0.218 50 0 ACAARO COCc1nc([C@H]2CCC[NH2+]C2)no1 62257442 168196895 /nfs/dbraw/zinc/19/68/95/168196895.db2.gz JKNOEEYGNFRJNR-ZETCQYMHSA-N 1 0 197.238 0.683 50 0 ACAARO COCc1n[nH]c([C@H]2CCCC[NH2+]2)n1 238855006 168196921 /nfs/dbraw/zinc/19/69/21/168196921.db2.gz QCLGIFIVICYMEX-SSDOTTSWSA-N 1 0 196.254 0.766 50 0 ACAARO COCc1n[nH]c([C@@H]2CCCC[NH2+]2)n1 238855007 168197401 /nfs/dbraw/zinc/19/74/01/168197401.db2.gz QCLGIFIVICYMEX-ZETCQYMHSA-N 1 0 196.254 0.766 50 0 ACAARO CON(C)C(=O)C1CC[NH+](C)CC1 91302249 168197902 /nfs/dbraw/zinc/19/79/02/168197902.db2.gz HPSNOVOYRZPVAW-UHFFFAOYSA-N 1 0 186.255 0.348 50 0 ACAARO COCc1nnc([C@H]2CCC[NH2+]2)o1 77010955 168198103 /nfs/dbraw/zinc/19/81/03/168198103.db2.gz APMOXKQVEUDTJH-ZCFIWIBFSA-N 1 0 183.211 0.641 50 0 ACAARO COCc1nnc([C@@H]2CCC[NH2+]2)o1 77010951 168198761 /nfs/dbraw/zinc/19/87/61/168198761.db2.gz APMOXKQVEUDTJH-LURJTMIESA-N 1 0 183.211 0.641 50 0 ACAARO COCc1ocnc1C[NH3+] 82631609 168198893 /nfs/dbraw/zinc/19/88/93/168198893.db2.gz BTZMUPYGWFYULR-UHFFFAOYSA-N 1 0 142.158 0.280 50 0 ACAARO CON(C)C(=O)C1CC[NH2+]CC1 22113892 168199219 /nfs/dbraw/zinc/19/92/19/168199219.db2.gz RARJJNXVBNIOKD-UHFFFAOYSA-N 1 0 172.228 0.006 50 0 in-vitro ACAARO CON(C)C(=O)CC[NH+]1CCCC1 85846475 168199310 /nfs/dbraw/zinc/19/93/10/168199310.db2.gz KISSVHYNIXQYIE-UHFFFAOYSA-N 1 0 186.255 0.492 50 0 in-vitro ACAARO CON(C)C1CC[NH2+]CC1 76855587 168199740 /nfs/dbraw/zinc/19/97/40/168199740.db2.gz GQPMJOCCUNXETK-UHFFFAOYSA-N 1 0 144.218 0.232 50 0 ACAARO CON(C)C(=O)[C@H]1CCC[NH2+]C1 22113899 168200362 /nfs/dbraw/zinc/20/03/62/168200362.db2.gz ZJTGDOHLGMRVER-ZETCQYMHSA-N 1 0 172.228 0.006 50 0 ACAARO CON(C)C(=O)[C@@H]([NH3+])CCSC 40859653 168200531 /nfs/dbraw/zinc/20/05/31/168200531.db2.gz QLETZLWRDVVJIW-LURJTMIESA-N 1 0 192.284 0.087 50 0 in-vitro ACAARO CON1C(=O)CCC12CC[NH2+]CC2 299791111 168201006 /nfs/dbraw/zinc/20/10/06/168201006.db2.gz CLSFBRJOVWBVQL-UHFFFAOYSA-N 1 0 184.239 0.292 50 0 ACAARO CON(C)C(=O)[C@@H]1CCC[NH2+]C1 22113896 168201030 /nfs/dbraw/zinc/20/10/30/168201030.db2.gz ZJTGDOHLGMRVER-SSDOTTSWSA-N 1 0 172.228 0.006 50 0 ACAARO CO[C@@H](C)[C@H](C)[NH3+] 41053948 168204042 /nfs/dbraw/zinc/20/40/42/168204042.db2.gz ZAZPNEAXPOUSEQ-WHFBIAKZSA-N 1 0 103.165 0.369 50 0 in-vitro ACAARO CO[C@@H]([C@H](C)[NH3+])C(F)(F)F 43383268 168204422 /nfs/dbraw/zinc/20/44/22/168204422.db2.gz SYUZOKZALHQWOV-IMJSIDKUSA-N 1 0 157.135 0.911 50 0 ACAARO CO[C@@H](C[NH3+])C(F)(F)F 37169895 168204727 /nfs/dbraw/zinc/20/47/27/168204727.db2.gz FNSRYZFYBKMUCL-VKHMYHEASA-N 1 0 143.108 0.522 50 0 in-vitro ACAARO CO[C@@H](C[NH3+])C(C)C 14628661 168204818 /nfs/dbraw/zinc/20/48/18/168204818.db2.gz ORBDGFSVVFALPZ-LURJTMIESA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO CO[C@@H]([C@@H](C)[NH3+])C(F)(F)F 43383270 168204836 /nfs/dbraw/zinc/20/48/36/168204836.db2.gz SYUZOKZALHQWOV-DMTCNVIQSA-N 1 0 157.135 0.911 50 0 ACAARO CO[C@@H](CC[NH3+])C(F)(F)F 37179103 168204858 /nfs/dbraw/zinc/20/48/58/168204858.db2.gz PKGOPLPBJFUJKB-BYPYZUCNSA-N 1 0 157.135 0.913 50 0 in-vitro ACAARO CO[C@@H]1CCC[NH2+]C1 4299173 168205378 /nfs/dbraw/zinc/20/53/78/168205378.db2.gz MRWRHHSVHWCISU-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CO[C@@H]1CCC[NH2+][C@H]1CC(C)=O 34214426 168205718 /nfs/dbraw/zinc/20/57/18/168205718.db2.gz VNZVBGRNVIBWEU-DTWKUNHWSA-N 1 0 171.240 0.733 50 0 ACAARO CO[C@@H]1CCC[NH2+]1 39318625 168205948 /nfs/dbraw/zinc/20/59/48/168205948.db2.gz MUWAEBAXEVXDRT-RXMQYKEDSA-N 1 0 101.149 0.342 50 0 ACAARO CO[C@@H]1CCC[NH2+]CC1 44682193 168205990 /nfs/dbraw/zinc/20/59/90/168205990.db2.gz MBGKJOCBUBJWCC-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@@H]([NH3+])C1 4536499 168206303 /nfs/dbraw/zinc/20/63/03/168206303.db2.gz JQGZGROVQGEGIO-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CO[C@@H]1CCCC[C@H]1[NH3+] 19274891 168206356 /nfs/dbraw/zinc/20/63/56/168206356.db2.gz NBWFBXBZOBXMHO-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 238850493 168206462 /nfs/dbraw/zinc/20/64/62/168206462.db2.gz BWXPSNQOWXFCJF-OPRDCNLKSA-N 1 0 185.267 0.790 50 0 in-vitro ACAARO CO[C@@H]1CCCC[C@@H]1[NH3+] 19274887 168206465 /nfs/dbraw/zinc/20/64/65/168206465.db2.gz NBWFBXBZOBXMHO-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 ACAARO CO[C@@H]1CCC[C@H]([NH3+])C1 1615486 168206702 /nfs/dbraw/zinc/20/67/02/168206702.db2.gz JQGZGROVQGEGIO-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 225473079 168206717 /nfs/dbraw/zinc/20/67/17/168206717.db2.gz BWXPSNQOWXFCJF-KXUCPTDWSA-N 1 0 185.267 0.790 50 0 in-vitro ACAARO CO[C@@H]1CCCN(CC[NH3+])C1 79391979 168206800 /nfs/dbraw/zinc/20/68/00/168206800.db2.gz YLFKHSSCRULOOM-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 ACAARO CO[C@@H]1CC[NH2+][C@H](C)C1 146376933 168207068 /nfs/dbraw/zinc/20/70/68/168207068.db2.gz OJWDYZDILBYSCB-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CO[C@@H]1CC[NH2+][C@@H](C)C1 146414520 168207126 /nfs/dbraw/zinc/20/71/26/168207126.db2.gz OJWDYZDILBYSCB-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CO[C@@H]1CC[C@H]([NH3+])C1 86405613 168207194 /nfs/dbraw/zinc/20/71/94/168207194.db2.gz BVILPGWUKJERFN-NTSWFWBYSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CO[C@H]1CC[C@@H]([NH3+])CC1 100154451 168207430 /nfs/dbraw/zinc/20/74/30/168207430.db2.gz SDMXLAZIFYYECU-LJGSYFOKSA-N 1 0 129.203 0.903 50 0 ACAARO CO[C@@H]1CC[C@@H]2OCC[NH2+][C@@H]2C1 88611501 168207486 /nfs/dbraw/zinc/20/74/86/168207486.db2.gz HQIXYPVUXMMMRA-HLTSFMKQSA-N 1 0 171.240 0.542 50 0 in-vitro ACAARO CO[C@@H]1CC[C@H]2OCC[NH2+][C@H]2C1 238852884 168207751 /nfs/dbraw/zinc/20/77/51/168207751.db2.gz HQIXYPVUXMMMRA-HRDYMLBCSA-N 1 0 171.240 0.542 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 238850492 168207887 /nfs/dbraw/zinc/20/78/87/168207887.db2.gz BWXPSNQOWXFCJF-IVZWLZJFSA-N 1 0 185.267 0.790 50 0 in-vitro ACAARO CO[C@@H]1CC[C@@H]([NH3+])C1 86405617 168207916 /nfs/dbraw/zinc/20/79/16/168207916.db2.gz BVILPGWUKJERFN-PHDIDXHHSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CO[C@H]1CC[C@H]([NH3+])CC1 100154456 168208219 /nfs/dbraw/zinc/20/82/19/168208219.db2.gz SDMXLAZIFYYECU-KNVOCYPGSA-N 1 0 129.203 0.903 50 0 ACAARO CO[C@@H]1CC[C@H]2OCC[NH2+][C@@H]2C1 88611491 168208237 /nfs/dbraw/zinc/20/82/37/168208237.db2.gz HQIXYPVUXMMMRA-IWSPIJDZSA-N 1 0 171.240 0.542 50 0 in-vitro ACAARO CO[C@@H]1CC[C@@H]2OCC[NH2+][C@H]2C1 238852885 168208369 /nfs/dbraw/zinc/20/83/69/168208369.db2.gz HQIXYPVUXMMMRA-VGMNWLOBSA-N 1 0 171.240 0.542 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@H]1[NH3+] 19261620 168208490 /nfs/dbraw/zinc/20/84/90/168208490.db2.gz PRXWOOCEFBBQCR-PHDIDXHHSA-N 1 0 115.176 0.513 50 0 ACAARO CO[C@@H]1CC[NH2+]C[C@H]1C 66354186 168208733 /nfs/dbraw/zinc/20/87/33/168208733.db2.gz IANZRNIJJWLDGA-RNFRBKRXSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 225473144 168208985 /nfs/dbraw/zinc/20/89/85/168208985.db2.gz BWXPSNQOWXFCJF-LPEHRKFASA-N 1 0 185.267 0.790 50 0 in-vitro ACAARO CO[C@@H]1CC[NH2+]C[C@@H]1C 66354188 168209002 /nfs/dbraw/zinc/20/90/02/168209002.db2.gz IANZRNIJJWLDGA-NKWVEPMBSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@@H]1C[C@@H]([NH3+])C12CCC2 307435171 168209360 /nfs/dbraw/zinc/20/93/60/168209360.db2.gz PTFYUPFXMGLEIK-RNFRBKRXSA-N 1 0 141.214 0.903 50 0 ACAARO CO[C@H]1C[C@@H]([NH3+])C1 100102956 168209421 /nfs/dbraw/zinc/20/94/21/168209421.db2.gz CTZHBPUHGUPFSN-URHBZAFASA-N 1 0 101.149 0.123 50 0 ACAARO CO[C@@H]1C[NH2+]CC12CC2 104710856 168209530 /nfs/dbraw/zinc/20/95/30/168209530.db2.gz JCOXLNNECBLFQE-ZCFIWIBFSA-N 1 0 127.187 0.385 50 0 ACAARO CO[C@@H]1C[C@@H]([NH3+])C1(C)C 74941877 168209693 /nfs/dbraw/zinc/20/96/93/168209693.db2.gz JMQMEXCEVGRIOY-PHDIDXHHSA-N 1 0 129.203 0.759 50 0 in-vitro ACAARO CO[C@H]1C[C@H](C[NH3+])C1 103538814 168210072 /nfs/dbraw/zinc/21/00/72/168210072.db2.gz CJUZEDMZPGYKFB-OLQVQODUSA-N 1 0 115.176 0.370 50 0 ACAARO CO[C@@H]1C[NH2+]CC[C@@H]1C 95942578 168210159 /nfs/dbraw/zinc/21/01/59/168210159.db2.gz IQBKJJJAWSBSAH-NKWVEPMBSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@@H]1C[NH2+][C@@H](c2nc(C)no2)C1 21501824 168210209 /nfs/dbraw/zinc/21/02/09/168210209.db2.gz TUNRVTAZCVUGOH-NKWVEPMBSA-N 1 0 183.211 0.427 50 0 ACAARO CO[C@@H]1C[C@H]([NH3+])C12CCC2 307435169 168210343 /nfs/dbraw/zinc/21/03/43/168210343.db2.gz PTFYUPFXMGLEIK-NKWVEPMBSA-N 1 0 141.214 0.903 50 0 ACAARO CO[C@@H]1C[NH2+]CC[C@H]1C 95942577 168210450 /nfs/dbraw/zinc/21/04/50/168210450.db2.gz IQBKJJJAWSBSAH-RNFRBKRXSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@@H]1COC2(CC[NH2+]CC2)C1 72109532 168210500 /nfs/dbraw/zinc/21/05/00/168210500.db2.gz HMSDPOGJWMJTBP-QMMMGPOBSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CO[C@@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 100291403 168210623 /nfs/dbraw/zinc/21/06/23/168210623.db2.gz GPCOICWXCKOIEM-JIGDXULJSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO CO[C@@H]1C[C@H]([NH3+])C1(C)C 74941879 168210756 /nfs/dbraw/zinc/21/07/56/168210756.db2.gz JMQMEXCEVGRIOY-NTSWFWBYSA-N 1 0 129.203 0.759 50 0 in-vitro ACAARO CO[C@H]1C[C@@H](C[NH3+])C1 100438986 168210780 /nfs/dbraw/zinc/21/07/80/168210780.db2.gz CJUZEDMZPGYKFB-IZLXSQMJSA-N 1 0 115.176 0.370 50 0 ACAARO CO[C@@]1(C)CCC[NH2+]C1 79568421 168211356 /nfs/dbraw/zinc/21/13/56/168211356.db2.gz RDXDQJARPYHCMD-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CO[C@@]1(C)CC[NH2+]C1 107114401 168211361 /nfs/dbraw/zinc/21/13/61/168211361.db2.gz UQSUXKPECVWYHC-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CO[C@@]1(C[NH3+])CCSC1 85099856 168212804 /nfs/dbraw/zinc/21/28/04/168212804.db2.gz XLZKGXZHSKZMHI-ZCFIWIBFSA-N 1 0 147.243 0.467 50 0 ACAARO CO[C@H](C)CC[NH3+] 41042690 168213279 /nfs/dbraw/zinc/21/32/79/168213279.db2.gz IQKTYAYBZRHHJI-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 ACAARO CO[C@H](C[NH3+])C(F)(F)F 37169896 168213395 /nfs/dbraw/zinc/21/33/95/168213395.db2.gz FNSRYZFYBKMUCL-GSVOUGTGSA-N 1 0 143.108 0.522 50 0 in-vitro ACAARO CO[C@H](C)[C@H](C)[NH3+] 41053946 168213456 /nfs/dbraw/zinc/21/34/56/168213456.db2.gz ZAZPNEAXPOUSEQ-CRCLSJGQSA-N 1 0 103.165 0.369 50 0 in-vitro ACAARO CO[C@H](C[NH3+])C(C)C 14628662 168213657 /nfs/dbraw/zinc/21/36/57/168213657.db2.gz ORBDGFSVVFALPZ-ZCFIWIBFSA-N 1 0 117.192 0.616 50 0 in-vitro ACAARO CO[C@H](CC[NH3+])C(F)(F)F 37179105 168214119 /nfs/dbraw/zinc/21/41/19/168214119.db2.gz PKGOPLPBJFUJKB-SCSAIBSYSA-N 1 0 157.135 0.913 50 0 in-vitro ACAARO CO[C@H]([C@@H](C)[NH3+])C(F)(F)F 43383274 168214908 /nfs/dbraw/zinc/21/49/08/168214908.db2.gz SYUZOKZALHQWOV-QWWZWVQMSA-N 1 0 157.135 0.911 50 0 ACAARO CO[C@H]1CCCN(CC[NH3+])C1 79391980 168214978 /nfs/dbraw/zinc/21/49/78/168214978.db2.gz YLFKHSSCRULOOM-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 ACAARO CO[C@H]1CCCC[C@H]1[NH3+] 19274893 168215527 /nfs/dbraw/zinc/21/55/27/168215527.db2.gz NBWFBXBZOBXMHO-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 ACAARO CO[C@H]([C@H](C)[NH3+])C(F)(F)F 43383272 168215536 /nfs/dbraw/zinc/21/55/36/168215536.db2.gz SYUZOKZALHQWOV-IUYQGCFVSA-N 1 0 157.135 0.911 50 0 ACAARO CO[C@H]1CCCC[C@@H]1[NH3+] 19274889 168215907 /nfs/dbraw/zinc/21/59/07/168215907.db2.gz NBWFBXBZOBXMHO-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 ACAARO CO[C@H]1CC[NH2+][C@H](C)C1 146414934 168216098 /nfs/dbraw/zinc/21/60/98/168216098.db2.gz OJWDYZDILBYSCB-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CO[C@H]1CCC[C@@H]([NH3+])C1 4536502 168216502 /nfs/dbraw/zinc/21/65/02/168216502.db2.gz JQGZGROVQGEGIO-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CO[C@H]1CCC[C@H]([NH3+])C1 1615485 168216898 /nfs/dbraw/zinc/21/68/98/168216898.db2.gz JQGZGROVQGEGIO-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CO[C@H]1CCC[NH2+]CC1 44682196 168217082 /nfs/dbraw/zinc/21/70/82/168217082.db2.gz MBGKJOCBUBJWCC-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CO[C@H]1CC[NH2+][C@@H](C)C1 146414731 168217302 /nfs/dbraw/zinc/21/73/02/168217302.db2.gz OJWDYZDILBYSCB-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CO[C@H]1CC[NH2+]C[C@H]1C 66354183 168217398 /nfs/dbraw/zinc/21/73/98/168217398.db2.gz IANZRNIJJWLDGA-RQJHMYQMSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@H]1CCC[NH2+]C1 4299174 168217478 /nfs/dbraw/zinc/21/74/78/168217478.db2.gz MRWRHHSVHWCISU-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CO[C@H]1CCC[NH2+]1 39318626 168217712 /nfs/dbraw/zinc/21/77/12/168217712.db2.gz MUWAEBAXEVXDRT-YFKPBYRVSA-N 1 0 101.149 0.342 50 0 ACAARO CO[C@H]1CC[NH2+]C[C@@H]1C 66354184 168217814 /nfs/dbraw/zinc/21/78/14/168217814.db2.gz IANZRNIJJWLDGA-BQBZGAKWSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@H]1C[C@@H]([NH3+])C12CCC2 307435173 168218435 /nfs/dbraw/zinc/21/84/35/168218435.db2.gz PTFYUPFXMGLEIK-RQJHMYQMSA-N 1 0 141.214 0.903 50 0 ACAARO CO[C@H]1CC[C@H]([NH3+])C1 86405615 168218527 /nfs/dbraw/zinc/21/85/27/168218527.db2.gz BVILPGWUKJERFN-WDSKDSINSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CO[C@H]1CC[C@@H]([NH3+])C1 66351442 168218598 /nfs/dbraw/zinc/21/85/98/168218598.db2.gz BVILPGWUKJERFN-RITPCOANSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CO[C@H]1C[C@@H]([NH3+])C1(C)C 74941873 168218633 /nfs/dbraw/zinc/21/86/33/168218633.db2.gz JMQMEXCEVGRIOY-RITPCOANSA-N 1 0 129.203 0.759 50 0 in-vitro ACAARO CO[C@H]1C[NH2+]CC[C@H]1C 95942575 168219011 /nfs/dbraw/zinc/21/90/11/168219011.db2.gz IQBKJJJAWSBSAH-RQJHMYQMSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@H]1COC2(CC[NH2+]CC2)C1 72109531 168219014 /nfs/dbraw/zinc/21/90/14/168219014.db2.gz HMSDPOGJWMJTBP-MRVPVSSYSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CO[C@H]1C[NH2+]CC[C@@H]1C 95942576 168219042 /nfs/dbraw/zinc/21/90/42/168219042.db2.gz IQBKJJJAWSBSAH-BQBZGAKWSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CO[C@H]1CN(C(C)C)C[C@@H]1[NH3+] 33414679 168219131 /nfs/dbraw/zinc/21/91/31/168219131.db2.gz RCRIZLJMLOJTPO-YUMQZZPRSA-N 1 0 158.245 0.053 50 0 ACAARO CO[C@H]1C[NH2+]CC12CC2 104710858 168219316 /nfs/dbraw/zinc/21/93/16/168219316.db2.gz JCOXLNNECBLFQE-LURJTMIESA-N 1 0 127.187 0.385 50 0 ACAARO CO[C@H]1C[NH2+][C@H](c2ncc[nH]2)C1 40637757 168219433 /nfs/dbraw/zinc/21/94/33/168219433.db2.gz ISPKAKJVQQMQMU-RQJHMYQMSA-N 1 0 167.212 0.459 50 0 ACAARO CO[C@H]1CN(C(C)C)C[C@H]1[NH3+] 244795259 168219483 /nfs/dbraw/zinc/21/94/83/168219483.db2.gz RCRIZLJMLOJTPO-SFYZADRCSA-N 1 0 158.245 0.053 50 0 ACAARO CO[C@H]1C[C@H]([NH3+])C1(C)C 74941875 168219872 /nfs/dbraw/zinc/21/98/72/168219872.db2.gz JMQMEXCEVGRIOY-WDSKDSINSA-N 1 0 129.203 0.759 50 0 in-vitro ACAARO CO[C@H]1C[C@H]([NH3+])C12CCC2 307435168 168220267 /nfs/dbraw/zinc/22/02/67/168220267.db2.gz PTFYUPFXMGLEIK-BQBZGAKWSA-N 1 0 141.214 0.903 50 0 ACAARO CO[C@H]1C[C@H]([NH3+])C1 101787539 168220627 /nfs/dbraw/zinc/22/06/27/168220627.db2.gz CTZHBPUHGUPFSN-SYDPRGILSA-N 1 0 101.149 0.123 50 0 ACAARO CO[C@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 100295366 168220834 /nfs/dbraw/zinc/22/08/34/168220834.db2.gz GPCOICWXCKOIEM-RNLVFQAGSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO CO[C@]1(C)CC[NH2+]C1 107114404 168221496 /nfs/dbraw/zinc/22/14/96/168221496.db2.gz UQSUXKPECVWYHC-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CO[C@](C)(C[NH3+])C1CC1 85099769 168221570 /nfs/dbraw/zinc/22/15/70/168221570.db2.gz OHAIVYMIFIKNJS-SSDOTTSWSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CO[C@]1(C)CCC[NH2+]C1 79568422 168221581 /nfs/dbraw/zinc/22/15/81/168221581.db2.gz RDXDQJARPYHCMD-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CO[C@]1(C[NH3+])CCSC1 85099854 168221649 /nfs/dbraw/zinc/22/16/49/168221649.db2.gz XLZKGXZHSKZMHI-LURJTMIESA-N 1 0 147.243 0.467 50 0 ACAARO COc1c(N)cc[nH+]c1C 95496199 168225441 /nfs/dbraw/zinc/22/54/41/168225441.db2.gz BJQUFRZNXLGEGF-UHFFFAOYSA-N 1 0 138.170 0.981 50 0 in-vitro ACAARO COc1c(C[NH3+])c(C)nn1C 20469924 168225555 /nfs/dbraw/zinc/22/55/55/168225555.db2.gz KPSCRVKNEQXWFI-UHFFFAOYSA-N 1 0 155.201 0.196 50 0 in-vitro ACAARO COc1cc(C(N)=[NH2+])ccc1O 1439359 168226957 /nfs/dbraw/zinc/22/69/57/168226957.db2.gz HQTAEVTXSCKTPM-UHFFFAOYSA-N 1 0 166.180 0.685 50 0 ACAARO COc1cc(C(N)=[NH2+])ccn1 19433288 168227878 /nfs/dbraw/zinc/22/78/78/168227878.db2.gz KUJROJBFTGOJSW-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 ACAARO COc1cc(C)[nH+]c(NN)n1 436651 168232441 /nfs/dbraw/zinc/23/24/41/168232441.db2.gz PCHXNQBTDCVAIT-UHFFFAOYSA-N 1 0 154.173 0.079 50 0 in-vitro ACAARO COc1cc(C)[nH]c(=O)c1C[NH3+] 146776864 168233115 /nfs/dbraw/zinc/23/31/15/168233115.db2.gz DOEQLKDKJVHZND-UHFFFAOYSA-N 1 0 168.196 0.563 50 0 in-vitro ACAARO COc1cc(C[NH3+])c(F)cn1 211990863 168233412 /nfs/dbraw/zinc/23/34/12/168233412.db2.gz RKRMSVQGAOWYLT-UHFFFAOYSA-N 1 0 156.160 0.688 50 0 ACAARO COc1cc(CC[NH3+])ccn1 38522709 168233601 /nfs/dbraw/zinc/23/36/01/168233601.db2.gz DUGYYNICKFCEHC-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1cc(CNC(N)=[NH2+])ccn1 60394403 168233778 /nfs/dbraw/zinc/23/37/78/168233778.db2.gz MQMJOFPHEKFWKP-UHFFFAOYSA-N 1 0 180.211 0.073 50 0 ACAARO COc1cc(C[NH3+])on1 4198780 168233803 /nfs/dbraw/zinc/23/38/03/168233803.db2.gz IVMFFAPHOPXMAD-UHFFFAOYSA-N 1 0 128.131 0.142 50 0 in-vitro ACAARO COc1cc(CC[NH3+])cc(OC)c1O 2513610 168233816 /nfs/dbraw/zinc/23/38/16/168233816.db2.gz ISVPPMXWQFCRSS-UHFFFAOYSA-N 1 0 197.234 0.911 50 0 ACAARO COc1cc(CC[NH3+])cc2c1OCO2 393470 168233982 /nfs/dbraw/zinc/23/39/82/168233982.db2.gz ORXQUAPZHKCCAX-UHFFFAOYSA-N 1 0 195.218 0.925 50 0 ACAARO COc1cc(C[NH3+])ccc1OCCO 19966561 168234008 /nfs/dbraw/zinc/23/40/08/168234008.db2.gz ISZLTWFKYDQRHQ-UHFFFAOYSA-N 1 0 197.234 0.525 50 0 ACAARO COc1cc(C[NH3+])ccn1 12505591 168234063 /nfs/dbraw/zinc/23/40/63/168234063.db2.gz UQAHBOKPZNLKRF-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1cc(C[NH3+])cc(OC)c1O 15020884 168234237 /nfs/dbraw/zinc/23/42/37/168234237.db2.gz CGJYLAHPPGNUGT-UHFFFAOYSA-N 1 0 183.207 0.868 50 0 ACAARO COc1cc(CC[NH3+])ccc1O 119675 168234270 /nfs/dbraw/zinc/23/42/70/168234270.db2.gz DIVQKHQLANKJQO-UHFFFAOYSA-N 1 0 167.208 0.902 50 0 endogenous,in-man ACAARO COc1cc(C[NH3+])cc2c1OCCO2 37461735 168234284 /nfs/dbraw/zinc/23/42/84/168234284.db2.gz RJLDBVUUHVXHLN-UHFFFAOYSA-N 1 0 195.218 0.925 50 0 ACAARO COc1cc(CCC[NH3+])ccn1 75085288 168234467 /nfs/dbraw/zinc/23/44/67/168234467.db2.gz RRXUYDVQFCVQMC-UHFFFAOYSA-N 1 0 166.224 0.982 50 0 ACAARO COc1cc(C[NH3+])cc2c1OCO2 13495667 168234478 /nfs/dbraw/zinc/23/44/78/168234478.db2.gz CFOCTUYLZWEVMZ-UHFFFAOYSA-N 1 0 181.191 0.883 50 0 ACAARO COc1cc(C[NH3+])ccc1O 404428 168234564 /nfs/dbraw/zinc/23/45/64/168234564.db2.gz WRPWWVNUCXQDQV-UHFFFAOYSA-N 1 0 153.181 0.860 50 0 endogenous,in-man ACAARO COc1cc(F)cc([C@H]([NH3+])CO)c1 72197524 168235318 /nfs/dbraw/zinc/23/53/18/168235318.db2.gz NAZAQFAQNOECEK-SECBINFHSA-N 1 0 185.198 0.826 50 0 ACAARO COc1cc(O)ccc1OCC[NH3+] 22048369 168237276 /nfs/dbraw/zinc/23/72/76/168237276.db2.gz ZJWDKSXPRPBBIJ-UHFFFAOYSA-N 1 0 183.207 0.738 50 0 in-vitro ACAARO COc1cc(NCCC[NH3+])ncn1 85481208 168237560 /nfs/dbraw/zinc/23/75/60/168237560.db2.gz WFGJKOJLNOFPQJ-UHFFFAOYSA-N 1 0 182.227 0.246 50 0 ACAARO COc1cc(N)cc(C)[nH+]1 71250448 168237687 /nfs/dbraw/zinc/23/76/87/168237687.db2.gz WVSRIMPQGUMPJZ-UHFFFAOYSA-N 1 0 138.170 0.981 50 0 in-vitro ACAARO COc1cc([C@H]([NH3+])CCO)ccc1O 12649974 168238569 /nfs/dbraw/zinc/23/85/69/168238569.db2.gz NMCXYQGDNZAPBW-MRVPVSSYSA-N 1 0 197.234 0.783 50 0 in-vitro ACAARO COc1cc(O[C@@H]2CC[NH2+]C2)ccn1 98213941 168238596 /nfs/dbraw/zinc/23/85/96/168238596.db2.gz KZEQVBINYFQXNC-SECBINFHSA-N 1 0 194.234 0.831 50 0 ACAARO COc1cc(OC)cc([C@H](O)C[NH3+])c1 2513181 168238930 /nfs/dbraw/zinc/23/89/30/168238930.db2.gz UOBUBYADHSKKDW-SNVBAGLBSA-N 1 0 197.234 0.696 50 0 ACAARO COc1cc(O[C@H]2CC[NH2+]C2)ccn1 98213942 168238998 /nfs/dbraw/zinc/23/89/98/168238998.db2.gz KZEQVBINYFQXNC-VIFPVBQESA-N 1 0 194.234 0.831 50 0 ACAARO COc1cc([C@H](O)C[NH3+])ccc1O 56655 168239304 /nfs/dbraw/zinc/23/93/04/168239304.db2.gz YNYAYWLBAHXHLL-MRVPVSSYSA-N 1 0 183.207 0.393 50 0 endogenous,in-man ACAARO COc1cc([C@@H](O)C[NH3+])ccc1O 56656 168239317 /nfs/dbraw/zinc/23/93/17/168239317.db2.gz YNYAYWLBAHXHLL-QMMMGPOBSA-N 1 0 183.207 0.393 50 0 endogenous,in-man ACAARO COc1cc(OC)cc([C@@H](O)C[NH3+])c1 12957642 168239481 /nfs/dbraw/zinc/23/94/81/168239481.db2.gz UOBUBYADHSKKDW-JTQLQIEISA-N 1 0 197.234 0.696 50 0 ACAARO COc1cc([C@H]([NH3+])CO)ccc1F 72197518 168239687 /nfs/dbraw/zinc/23/96/87/168239687.db2.gz MQQGYNUSVXELEJ-MRVPVSSYSA-N 1 0 185.198 0.826 50 0 ACAARO COc1cc2c(nn1)CC[NH2+]C2 78758682 168240181 /nfs/dbraw/zinc/24/01/81/168240181.db2.gz PSUFGKQHPOTKRY-UHFFFAOYSA-N 1 0 165.196 0.131 50 0 in-vitro ACAARO COc1cc2c(cc1C[NH3+])OCCO2 42383849 168240526 /nfs/dbraw/zinc/24/05/26/168240526.db2.gz FOFFDUMUFGGYRD-UHFFFAOYSA-N 1 0 195.218 0.925 50 0 in-vitro ACAARO COc1cc2c(cn1)C[NH2+]CC2 91692035 168240900 /nfs/dbraw/zinc/24/09/00/168240900.db2.gz DHNFTRJYDIMRHS-UHFFFAOYSA-N 1 0 164.208 0.736 50 0 in-vitro ACAARO COc1cc2c(cc1C[NH3+])OCO2 42873644 168241493 /nfs/dbraw/zinc/24/14/93/168241493.db2.gz QRWGNZIUKGWTPE-UHFFFAOYSA-N 1 0 181.191 0.883 50 0 ACAARO COc1ccc(C(N)=[NH2+])cc1OC 1437485 168243785 /nfs/dbraw/zinc/24/37/85/168243785.db2.gz GRNBGCVJIQHIKG-UHFFFAOYSA-N 1 0 180.207 0.988 50 0 in-vitro ACAARO COc1ccc(C(=O)NCC[NH3+])cc1 5879972 168243801 /nfs/dbraw/zinc/24/38/01/168243801.db2.gz MVDTXHHGMXWCRJ-UHFFFAOYSA-N 1 0 194.234 0.384 50 0 in-vitro ACAARO COc1ccc(C(N)=[NH2+])cc1 391171 168244054 /nfs/dbraw/zinc/24/40/54/168244054.db2.gz CSISQILZUHMAJB-UHFFFAOYSA-N 1 0 150.181 0.979 50 0 in-vitro ACAARO COc1ccc(C(N)=[NH2+])cn1 19519378 168244128 /nfs/dbraw/zinc/24/41/28/168244128.db2.gz FVGLKDNCBWAFST-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 in-vitro ACAARO COc1ccc(C(N)=[NH2+])nc1 71186675 168245023 /nfs/dbraw/zinc/24/50/23/168245023.db2.gz NUMGNRWFUBHDLO-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 ACAARO COc1ccc(C(N)=[NH2+])c(OC)c1 1437905 168245124 /nfs/dbraw/zinc/24/51/24/168245124.db2.gz OHDVRMGJIHLLMB-UHFFFAOYSA-N 1 0 180.207 0.988 50 0 in-vitro ACAARO COc1ccc(C(=[NH2+])NO)cn1 19436115 168245141 /nfs/dbraw/zinc/24/51/41/168245141.db2.gz JRJCFYLVBRPFCH-UHFFFAOYSA-N 1 0 167.168 0.394 50 0 in-vitro ACAARO COc1ccc(C)cc1NC(=O)C[NH3+] 4201706 168246919 /nfs/dbraw/zinc/24/69/19/168246919.db2.gz SRFLDWOWAGQZAD-UHFFFAOYSA-N 1 0 194.234 0.901 50 0 in-vitro ACAARO COc1ccc(C2([NH3+])COC2)cc1 67802757 168247838 /nfs/dbraw/zinc/24/78/38/168247838.db2.gz UMPHCZDCSRSELT-UHFFFAOYSA-N 1 0 179.219 0.879 50 0 ACAARO COc1ccc(CCNC(N)=[NH2+])cc1 4298898 168248761 /nfs/dbraw/zinc/24/87/61/168248761.db2.gz SZYPFABZEFUQBZ-UHFFFAOYSA-N 1 0 193.250 0.721 50 0 ACAARO COc1ccc(C=O)cc1C[NH3+] 83825156 168249207 /nfs/dbraw/zinc/24/92/07/168249207.db2.gz XIHFENXTYFCEKZ-UHFFFAOYSA-N 1 0 165.192 0.966 50 0 ACAARO COc1ccc(CC[NH3+])nc1 75085056 168249312 /nfs/dbraw/zinc/24/93/12/168249312.db2.gz KDPHKMWTZDRIQU-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1ccc(CC[NH3+])cn1 20445426 168249557 /nfs/dbraw/zinc/24/95/57/168249557.db2.gz YNLWLBAHWMOFBQ-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1ccc(CC[NH3+])cc1O 119833 168249953 /nfs/dbraw/zinc/24/99/53/168249953.db2.gz WJXQFVMTIGJBFX-UHFFFAOYSA-N 1 0 167.208 0.902 50 0 endogenous,in-man ACAARO COc1ccc(CCC[NH3+])cn1 44280212 168250058 /nfs/dbraw/zinc/25/00/58/168250058.db2.gz CXRMNOBHRZVQQS-UHFFFAOYSA-N 1 0 166.224 0.982 50 0 ACAARO COc1ccc(C[C@](C)([NH3+])CN)cc1 34423378 168250380 /nfs/dbraw/zinc/25/03/80/168250380.db2.gz MDBPTEVGPIYLQS-NSHDSACASA-N 1 0 194.278 0.914 50 0 in-vitro ACAARO COc1ccc(C[NH3+])c(OC)n1 82853609 168250471 /nfs/dbraw/zinc/25/04/71/168250471.db2.gz GSQDHXCFHMBVTK-UHFFFAOYSA-N 1 0 168.196 0.558 50 0 in-vitro ACAARO COc1ccc(C[NH3+])nc1 78676129 168250528 /nfs/dbraw/zinc/25/05/28/168250528.db2.gz AKYKNKLVGMYOIL-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1ccc(C[C@@H]([NH3+])CO)cc1 20268033 168250725 /nfs/dbraw/zinc/25/07/25/168250725.db2.gz GVLHBFBFUSPHJO-SECBINFHSA-N 1 0 181.235 0.557 50 0 ACAARO COc1ccc(C[C@@](C)(O)C[NH3+])cc1 19684365 168250757 /nfs/dbraw/zinc/25/07/57/168250757.db2.gz RKOKSYFLYXHTKS-LLVKDONJSA-N 1 0 195.262 0.947 50 0 ACAARO COc1ccc(C[NH3+])cn1 9596244 168251019 /nfs/dbraw/zinc/25/10/19/168251019.db2.gz AUOIYQDHPOAYQZ-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1ccc(CNC(=O)C[NH3+])cc1 11956697 168251140 /nfs/dbraw/zinc/25/11/40/168251140.db2.gz AFYZSADCHFNJCB-UHFFFAOYSA-N 1 0 194.234 0.270 50 0 in-vitro ACAARO COc1ccc(C[C@](C)(O)C[NH3+])cc1 19684367 168251320 /nfs/dbraw/zinc/25/13/20/168251320.db2.gz RKOKSYFLYXHTKS-NSHDSACASA-N 1 0 195.262 0.947 50 0 ACAARO COc1ccc(CNC(N)=[NH2+])cc1 289754 168251447 /nfs/dbraw/zinc/25/14/47/168251447.db2.gz GSNNHGKCGLQEGV-UHFFFAOYSA-N 1 0 179.223 0.678 50 0 in-vitro ACAARO COc1ccc(C[NH2+]CCO)cc1 1712827 168251725 /nfs/dbraw/zinc/25/17/25/168251725.db2.gz UBLCRUHXSMDNQZ-UHFFFAOYSA-N 1 0 181.235 0.777 50 0 in-vitro ACAARO COc1ccc(C[C@@](C)([NH3+])CN)cc1 34423376 168251750 /nfs/dbraw/zinc/25/17/50/168251750.db2.gz MDBPTEVGPIYLQS-LLVKDONJSA-N 1 0 194.278 0.914 50 0 in-vitro ACAARO COc1ccc(C[C@H]([NH3+])CO)cc1 20268035 168251811 /nfs/dbraw/zinc/25/18/11/168251811.db2.gz GVLHBFBFUSPHJO-VIFPVBQESA-N 1 0 181.235 0.557 50 0 ACAARO COc1ccc(C[NH3+])cc1O 873869 168251843 /nfs/dbraw/zinc/25/18/43/168251843.db2.gz HJIDMVZCXORAIG-UHFFFAOYSA-N 1 0 153.181 0.860 50 0 biogenic,in-vitro ACAARO COc1ccc(C[NH3+])nc1OC 66054549 168251881 /nfs/dbraw/zinc/25/18/81/168251881.db2.gz NTAVZWOOCDEXMK-UHFFFAOYSA-N 1 0 168.196 0.558 50 0 in-vitro ACAARO COc1ccc(N2C[C@H]([NH3+])C2=O)cc1 95348394 168253514 /nfs/dbraw/zinc/25/35/14/168253514.db2.gz VAPILKCZGUCBSA-VIFPVBQESA-N 1 0 192.218 0.369 50 0 in-vitro ACAARO COc1ccc(NC(=O)C[NH3+])c(C)c1 32008901 168253592 /nfs/dbraw/zinc/25/35/92/168253592.db2.gz PDAHECGJIFZDMD-UHFFFAOYSA-N 1 0 194.234 0.901 50 0 ACAARO COc1ccc(N2C[C@@H]([NH3+])C2=O)cc1 95348395 168253822 /nfs/dbraw/zinc/25/38/22/168253822.db2.gz VAPILKCZGUCBSA-SECBINFHSA-N 1 0 192.218 0.369 50 0 in-vitro ACAARO COc1ccc(NC(=O)C[NH3+])cc1 1566885 168254064 /nfs/dbraw/zinc/25/40/64/168254064.db2.gz MAVJTZKUNOKGPF-UHFFFAOYSA-N 1 0 180.207 0.592 50 0 ACAARO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1 11957711 168254171 /nfs/dbraw/zinc/25/41/71/168254171.db2.gz OUXHIQKKEDMJOC-ZETCQYMHSA-N 1 0 194.234 0.981 50 0 ACAARO COc1ccc(N)cc1C[NH3+] 2573845 168254499 /nfs/dbraw/zinc/25/44/99/168254499.db2.gz KDIUEAHNDJOIFR-UHFFFAOYSA-N 1 0 152.197 0.736 50 0 in-vitro ACAARO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 19508859 168254664 /nfs/dbraw/zinc/25/46/64/168254664.db2.gz OUXHIQKKEDMJOC-SSDOTTSWSA-N 1 0 194.234 0.981 50 0 ACAARO COc1ccc(NC(=O)CC[NH3+])cc1 8732972 168254987 /nfs/dbraw/zinc/25/49/87/168254987.db2.gz FEZGQPNGBGISAY-UHFFFAOYSA-N 1 0 194.234 0.983 50 0 ACAARO COc1ccc(OC)c([C@H]([NH3+])CO)c1 12404598 168256148 /nfs/dbraw/zinc/25/61/48/168256148.db2.gz ZEXUYASSODBCDB-SECBINFHSA-N 1 0 197.234 0.696 50 0 ACAARO COc1ccc(O[C@H]2CC[NH2+]C2)nc1 95483688 168256277 /nfs/dbraw/zinc/25/62/77/168256277.db2.gz GJLRCGDBZHWQQC-VIFPVBQESA-N 1 0 194.234 0.831 50 0 ACAARO COc1ccc(OC[C@H](O)C[NH3+])cc1 134403 168256668 /nfs/dbraw/zinc/25/66/68/168256668.db2.gz KFQPRNVTVMCYEH-MRVPVSSYSA-N 1 0 197.234 0.394 50 0 biogenic,in-vitro ACAARO COc1ccc(OC)c([C@@H]([NH3+])CO)c1 12404597 168256709 /nfs/dbraw/zinc/25/67/09/168256709.db2.gz ZEXUYASSODBCDB-VIFPVBQESA-N 1 0 197.234 0.696 50 0 ACAARO COc1ccc(OC[C@@H](O)C[NH3+])cc1 134405 168256814 /nfs/dbraw/zinc/25/68/14/168256814.db2.gz KFQPRNVTVMCYEH-QMMMGPOBSA-N 1 0 197.234 0.394 50 0 biogenic,in-vitro ACAARO COc1ccc(OC)c([C@@H](O)C[NH3+])c1 2001181 168256887 /nfs/dbraw/zinc/25/68/87/168256887.db2.gz VFRCNXKYZVQYLX-VIFPVBQESA-N 1 0 197.234 0.696 50 0 biogenic,world ACAARO COc1ccc(O[C@@H]2CC[NH2+]C2)nc1 95483687 168256990 /nfs/dbraw/zinc/25/69/90/168256990.db2.gz GJLRCGDBZHWQQC-SECBINFHSA-N 1 0 194.234 0.831 50 0 ACAARO COc1ccc(OC)c([C@H](O)C[NH3+])c1 2001180 168257037 /nfs/dbraw/zinc/25/70/37/168257037.db2.gz VFRCNXKYZVQYLX-SECBINFHSA-N 1 0 197.234 0.696 50 0 world ACAARO COc1ccc([C@@H]2C[NH2+]CCN2)cc1 95067851 168257988 /nfs/dbraw/zinc/25/79/88/168257988.db2.gz INKLSJITWMAFRT-NSHDSACASA-N 1 0 192.262 0.929 50 0 in-vitro ACAARO COc1ccc([C@@H]([NH3+])C(N)=O)cc1 34319967 168257999 /nfs/dbraw/zinc/25/79/99/168257999.db2.gz TZADAWVLFGIAKY-MRVPVSSYSA-N 1 0 180.207 0.180 50 0 ACAARO COc1ccc([C@@H]([NH3+])CO)cc1 12404595 168258009 /nfs/dbraw/zinc/25/80/09/168258009.db2.gz OZNSMUSCZYUFHD-VIFPVBQESA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1ccc([C@@H]([NH3+])CO)cn1 83270707 168258029 /nfs/dbraw/zinc/25/80/29/168258029.db2.gz SJUXJJWKCNDGED-ZETCQYMHSA-N 1 0 168.196 0.082 50 0 ACAARO COc1ccc([C@@H](C[NH3+])CO)cc1 66325604 168258048 /nfs/dbraw/zinc/25/80/48/168258048.db2.gz AIUMLVPEWKKZIZ-VIFPVBQESA-N 1 0 181.235 0.730 50 0 ACAARO COc1ccc([C@@H](O)C[NH3+])cc1OC 6018662 168258157 /nfs/dbraw/zinc/25/81/57/168258157.db2.gz WIUFFBGZBFVVDL-QMMMGPOBSA-N 1 0 197.234 0.696 50 0 in-vitro ACAARO COc1ccc([C@@H](O)C[NH3+])c(OC)c1 11802899 168258311 /nfs/dbraw/zinc/25/83/11/168258311.db2.gz WQWOHAWNQCDJLY-VIFPVBQESA-N 1 0 197.234 0.696 50 0 ACAARO COc1ccc([C@@H](O)C[NH3+])cc1 5201505 168258347 /nfs/dbraw/zinc/25/83/47/168258347.db2.gz LQEPONWCAMNCOY-VIFPVBQESA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1ccc([C@@H]([NH3+])CO)c(OC)c1 6658309 168258488 /nfs/dbraw/zinc/25/84/88/168258488.db2.gz XNLFQEYMRQGUGF-VIFPVBQESA-N 1 0 197.234 0.696 50 0 in-vitro ACAARO COc1ccc([C@@](C)(O)C[NH3+])cc1 11803536 168258611 /nfs/dbraw/zinc/25/86/11/168258611.db2.gz JAFNSZKGJVNORJ-JTQLQIEISA-N 1 0 181.235 0.861 50 0 ACAARO COc1ccc([C@H]([NH3+])CO)cc1 12404596 168258931 /nfs/dbraw/zinc/25/89/31/168258931.db2.gz OZNSMUSCZYUFHD-SECBINFHSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1ccc([C@H](O)C[NH3+])cc1 5201504 168259131 /nfs/dbraw/zinc/25/91/31/168259131.db2.gz LQEPONWCAMNCOY-SECBINFHSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1ccc([C@H](O)C[NH3+])c(OC)c1 11802901 168259377 /nfs/dbraw/zinc/25/93/77/168259377.db2.gz WQWOHAWNQCDJLY-SECBINFHSA-N 1 0 197.234 0.696 50 0 ACAARO COc1ccc([C@H]2C[NH2+]CCN2)cc1 95067852 168259426 /nfs/dbraw/zinc/25/94/26/168259426.db2.gz INKLSJITWMAFRT-LLVKDONJSA-N 1 0 192.262 0.929 50 0 in-vitro ACAARO COc1ccc([C@H]([NH3+])CO)c(OC)c1 6658308 168259626 /nfs/dbraw/zinc/25/96/26/168259626.db2.gz XNLFQEYMRQGUGF-SECBINFHSA-N 1 0 197.234 0.696 50 0 in-vitro ACAARO COc1ccc([C@H]([NH3+])CCO)cc1O 12649983 168259824 /nfs/dbraw/zinc/25/98/24/168259824.db2.gz OXSZTNZUDMWDOJ-MRVPVSSYSA-N 1 0 197.234 0.783 50 0 in-vitro ACAARO COc1ccc([C@H]([NH3+])CO)cn1 83270706 168259896 /nfs/dbraw/zinc/25/98/96/168259896.db2.gz SJUXJJWKCNDGED-SSDOTTSWSA-N 1 0 168.196 0.082 50 0 ACAARO COc1ccc([C@H](O)C[NH3+])cc1OC 2569825 168259905 /nfs/dbraw/zinc/25/99/05/168259905.db2.gz WIUFFBGZBFVVDL-MRVPVSSYSA-N 1 0 197.234 0.696 50 0 in-vitro ACAARO COc1ccc([C@H](C[NH3+])CO)cc1 71498825 168259973 /nfs/dbraw/zinc/25/99/73/168259973.db2.gz AIUMLVPEWKKZIZ-SECBINFHSA-N 1 0 181.235 0.730 50 0 ACAARO COc1ccc([C@](C)(O)C[NH3+])cc1 11803537 168260734 /nfs/dbraw/zinc/26/07/34/168260734.db2.gz JAFNSZKGJVNORJ-SNVBAGLBSA-N 1 0 181.235 0.861 50 0 ACAARO COc1ccc2c(c1)C(=O)[C@H]([NH3+])C2 57935992 168261088 /nfs/dbraw/zinc/26/10/88/168261088.db2.gz IMRBJGOWDUHVOJ-SECBINFHSA-N 1 0 177.203 0.761 50 0 ACAARO COc1ccc2c(c1)CC[NH2+]C[C@@H]2O 95092872 168261759 /nfs/dbraw/zinc/26/17/59/168261759.db2.gz CJQZSNACIZWXEQ-NSHDSACASA-N 1 0 193.246 0.874 50 0 ACAARO COc1ccc2c(c1)C(=O)[C@@H]([NH3+])C2 57935994 168261837 /nfs/dbraw/zinc/26/18/37/168261837.db2.gz IMRBJGOWDUHVOJ-VIFPVBQESA-N 1 0 177.203 0.761 50 0 ACAARO COc1ccc2c(c1)C(=N)NC2=[NH2+] 6018729 168261944 /nfs/dbraw/zinc/26/19/44/168261944.db2.gz ULNBACHCVNVEHG-UHFFFAOYSA-N 1 0 175.191 0.739 50 0 ACAARO COc1ccc2c(c1)CC[NH2+]C[C@H]2O 95092873 168262034 /nfs/dbraw/zinc/26/20/34/168262034.db2.gz CJQZSNACIZWXEQ-LLVKDONJSA-N 1 0 193.246 0.874 50 0 ACAARO COc1ccc2c(c1)OC[C@H]([NH3+])C2 33823874 168262751 /nfs/dbraw/zinc/26/27/51/168262751.db2.gz JGIHXVOYCDUASG-MRVPVSSYSA-N 1 0 179.219 0.957 50 0 ACAARO COc1ccc2c(c1)OC[C@@H]([NH3+])C2 33823875 168263095 /nfs/dbraw/zinc/26/30/95/168263095.db2.gz JGIHXVOYCDUASG-QMMMGPOBSA-N 1 0 179.219 0.957 50 0 ACAARO COc1cccc(C2([NH3+])COC2)c1 67802756 168267495 /nfs/dbraw/zinc/26/74/95/168267495.db2.gz YODQTGCWDBVPMA-UHFFFAOYSA-N 1 0 179.219 0.879 50 0 in-vitro ACAARO COc1cccc(C(N)=[NH2+])c1OC 1437477 168267555 /nfs/dbraw/zinc/26/75/55/168267555.db2.gz QHCGPTXPVHYASL-UHFFFAOYSA-N 1 0 180.207 0.988 50 0 in-vitro ACAARO COc1cccc(C(=O)NCC[NH3+])c1 8166775 168267719 /nfs/dbraw/zinc/26/77/19/168267719.db2.gz UFZXCPURRLICNV-UHFFFAOYSA-N 1 0 194.234 0.384 50 0 in-vitro ACAARO COc1cccc(C2(C[NH3+])COC2)c1 76635777 168267921 /nfs/dbraw/zinc/26/79/21/168267921.db2.gz NICQXLQHWYTNPH-UHFFFAOYSA-N 1 0 193.246 0.922 50 0 ACAARO COc1cccc(C(N)=[NH2+])n1 71186676 168268239 /nfs/dbraw/zinc/26/82/39/168268239.db2.gz BYLMMYUJLGSLAJ-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 ACAARO COc1cccc(C(N)=[NH2+])c1 1439405 168268319 /nfs/dbraw/zinc/26/83/19/168268319.db2.gz ZSHGVAIVMZVMPD-UHFFFAOYSA-N 1 0 150.181 0.979 50 0 in-vitro ACAARO COc1cccc(CNC(N)=[NH2+])c1 4298900 168268868 /nfs/dbraw/zinc/26/88/68/168268868.db2.gz VTNFFQZOYSMLIY-UHFFFAOYSA-N 1 0 179.223 0.678 50 0 in-vitro ACAARO COc1cccc(CC[NH3+])c1O 19386907 168269173 /nfs/dbraw/zinc/26/91/73/168269173.db2.gz QKCSVOQSBJXICK-UHFFFAOYSA-N 1 0 167.208 0.902 50 0 in-vitro ACAARO COc1cccc(C[C@H]([NH3+])CO)c1 20268032 168269378 /nfs/dbraw/zinc/26/93/78/168269378.db2.gz MQFQMJOLDYSYPT-VIFPVBQESA-N 1 0 181.235 0.557 50 0 ACAARO COc1cccc(CC[NH3+])n1 35569309 168269428 /nfs/dbraw/zinc/26/94/28/168269428.db2.gz WEBZWISZCKYJDN-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 ACAARO COc1cccc(C[NH3+])n1 20446131 168269576 /nfs/dbraw/zinc/26/95/76/168269576.db2.gz NCLKQBYCORYBBG-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1cccc(NC(=O)C[NH3+])c1 4201694 168269958 /nfs/dbraw/zinc/26/99/58/168269958.db2.gz KWEKVVGPSNAKEM-UHFFFAOYSA-N 1 0 180.207 0.592 50 0 in-vitro ACAARO COc1cccc(C[C@@H]([NH3+])CO)c1 20268031 168269984 /nfs/dbraw/zinc/26/99/84/168269984.db2.gz MQFQMJOLDYSYPT-SECBINFHSA-N 1 0 181.235 0.557 50 0 ACAARO COc1cccc(CNCC[NH3+])c1 38973130 168270053 /nfs/dbraw/zinc/27/00/53/168270053.db2.gz UIENRTVFLWKWJO-UHFFFAOYSA-N 1 0 180.251 0.744 50 0 ACAARO COc1cccc(OC[C@H](O)C[NH3+])c1 2454803 168270482 /nfs/dbraw/zinc/27/04/82/168270482.db2.gz YRBCPIXBSABXLB-MRVPVSSYSA-N 1 0 197.234 0.394 50 0 in-vitro ACAARO COc1cccc(OC[C@@H](O)C[NH3+])c1 2454805 168270553 /nfs/dbraw/zinc/27/05/53/168270553.db2.gz YRBCPIXBSABXLB-QMMMGPOBSA-N 1 0 197.234 0.394 50 0 in-vitro ACAARO COc1cccc([C@@H](O)C[NH3+])c1OC 21949537 168270745 /nfs/dbraw/zinc/27/07/45/168270745.db2.gz XZVQQUOJVHRFOX-QMMMGPOBSA-N 1 0 197.234 0.696 50 0 ACAARO COc1cccc(OC)c1C(N)=[NH2+] 1437478 168270873 /nfs/dbraw/zinc/27/08/73/168270873.db2.gz FMJAJKTZTXLTGY-UHFFFAOYSA-N 1 0 180.207 0.988 50 0 in-vitro ACAARO COc1cccc(O[C@@H]2CC[NH2+]C2)n1 82459055 168271231 /nfs/dbraw/zinc/27/12/31/168271231.db2.gz LWOJGCYQJOBVPO-MRVPVSSYSA-N 1 0 194.234 0.831 50 0 ACAARO COc1cccc(O[C@H]2CC[NH2+]C2)n1 82459056 168271283 /nfs/dbraw/zinc/27/12/83/168271283.db2.gz LWOJGCYQJOBVPO-QMMMGPOBSA-N 1 0 194.234 0.831 50 0 ACAARO COc1cccc([C@@H](O)C[NH3+])c1 2554003 168271329 /nfs/dbraw/zinc/27/13/29/168271329.db2.gz YQMQTEJARSWZPZ-VIFPVBQESA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1cccc([C@@H]([NH3+])CO)c1 36949536 168271372 /nfs/dbraw/zinc/27/13/72/168271372.db2.gz HAHLSZOSVFWLMM-VIFPVBQESA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1cccc(NN)[nH+]1 34754624 168271694 /nfs/dbraw/zinc/27/16/94/168271694.db2.gz BYKHMSRXEDLDRS-UHFFFAOYSA-N 1 0 139.158 0.376 50 0 in-vitro ACAARO COc1cccc([C@@](C)(O)C[NH3+])c1 55032557 168272016 /nfs/dbraw/zinc/27/20/16/168272016.db2.gz OKLCAIQJWBJOJI-JTQLQIEISA-N 1 0 181.235 0.861 50 0 ACAARO COc1cccc([C@@H]2C[NH2+]CCN2)c1 38533174 168272077 /nfs/dbraw/zinc/27/20/77/168272077.db2.gz SAQIBFOALNPYFY-NSHDSACASA-N 1 0 192.262 0.929 50 0 in-vitro ACAARO COc1cccc([C@H](O)C[NH3+])c1OC 21949539 168272215 /nfs/dbraw/zinc/27/22/15/168272215.db2.gz XZVQQUOJVHRFOX-MRVPVSSYSA-N 1 0 197.234 0.696 50 0 ACAARO COc1cccc([C@](C)(O)C[NH3+])c1 55032555 168272716 /nfs/dbraw/zinc/27/27/16/168272716.db2.gz OKLCAIQJWBJOJI-SNVBAGLBSA-N 1 0 181.235 0.861 50 0 ACAARO COc1cccc([C@H]2C[NH2+]CCN2)c1 38533176 168272912 /nfs/dbraw/zinc/27/29/12/168272912.db2.gz SAQIBFOALNPYFY-LLVKDONJSA-N 1 0 192.262 0.929 50 0 in-vitro ACAARO COc1cccc([C@H](O)C[NH3+])c1 11802870 168273153 /nfs/dbraw/zinc/27/31/53/168273153.db2.gz YQMQTEJARSWZPZ-SECBINFHSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1cccc([C@H]([NH3+])CO)c1 36949535 168273268 /nfs/dbraw/zinc/27/32/68/168273268.db2.gz HAHLSZOSVFWLMM-SECBINFHSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1cccc2c1C[C@H]([NH3+])CO2 34189684 168273510 /nfs/dbraw/zinc/27/35/10/168273510.db2.gz UHODZRKJYJILTL-ZETCQYMHSA-N 1 0 179.219 0.957 50 0 in-vitro ACAARO COc1cccc2c1OC[C@H]([NH3+])C2 16083007 168273634 /nfs/dbraw/zinc/27/36/34/168273634.db2.gz YPFAOXHRMCVHOP-MRVPVSSYSA-N 1 0 179.219 0.957 50 0 in-vitro ACAARO COc1cccc2c1OC[C@@H]([NH3+])C2 16083008 168273894 /nfs/dbraw/zinc/27/38/94/168273894.db2.gz YPFAOXHRMCVHOP-QMMMGPOBSA-N 1 0 179.219 0.957 50 0 in-vitro ACAARO COc1cccc2c1C[C@@H]([NH3+])CO2 34189685 168273897 /nfs/dbraw/zinc/27/38/97/168273897.db2.gz UHODZRKJYJILTL-SSDOTTSWSA-N 1 0 179.219 0.957 50 0 in-vitro ACAARO COc1cccnc1O[C@H]1CC[NH2+]C1 95483714 168277544 /nfs/dbraw/zinc/27/75/44/168277544.db2.gz ALUGPQVACYVXHU-QMMMGPOBSA-N 1 0 194.234 0.831 50 0 ACAARO COc1cccnc1C[NH3+] 39050149 168277724 /nfs/dbraw/zinc/27/77/24/168277724.db2.gz YYZWARUBOQAMQS-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1ccccc1[C@](C)(O)C[NH3+] 32007529 168277820 /nfs/dbraw/zinc/27/78/20/168277820.db2.gz BERSBVNXWAIBSI-SNVBAGLBSA-N 1 0 181.235 0.861 50 0 ACAARO COc1ccc[nH+]c1NN 36222744 168278011 /nfs/dbraw/zinc/27/80/11/168278011.db2.gz PCGPJDDXEJWUMZ-UHFFFAOYSA-N 1 0 139.158 0.376 50 0 ACAARO COc1cccn2cc(CC[NH3+])nc12 36222722 168278012 /nfs/dbraw/zinc/27/80/12/168278012.db2.gz RUMLLWYYNJEDPE-UHFFFAOYSA-N 1 0 191.234 0.844 50 0 ACAARO COc1ccccc1[C@H](N)C[NH3+] 35677086 168278153 /nfs/dbraw/zinc/27/81/53/168278153.db2.gz XUBNIEXLYZKEQM-MRVPVSSYSA-N 1 0 166.224 0.654 50 0 in-vitro ACAARO COc1ccccc1[C@H]([NH3+])CO 12404646 168278208 /nfs/dbraw/zinc/27/82/08/168278208.db2.gz XOHKELIJPISIBB-MRVPVSSYSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1ccccc1[C@@](C)(O)C[NH3+] 32007527 168278238 /nfs/dbraw/zinc/27/82/38/168278238.db2.gz BERSBVNXWAIBSI-JTQLQIEISA-N 1 0 181.235 0.861 50 0 ACAARO COc1ccnc(C(N)=[NH2+])c1 61814506 168278284 /nfs/dbraw/zinc/27/82/84/168278284.db2.gz NUTRTCUOCZLCCS-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 ACAARO COc1ccccc1[C@H]1C[NH2+]CCN1 95067848 168278360 /nfs/dbraw/zinc/27/83/60/168278360.db2.gz XYMDIQVPOIVJPF-SNVBAGLBSA-N 1 0 192.262 0.929 50 0 ACAARO COc1cccnc1C(N)=[NH2+] 71186677 168278462 /nfs/dbraw/zinc/27/84/62/168278462.db2.gz AUICGMWGBBDWFF-UHFFFAOYSA-N 1 0 151.169 0.374 50 0 in-vitro ACAARO COc1cccn(CCC[NH3+])c1=O 36222741 168278665 /nfs/dbraw/zinc/27/86/65/168278665.db2.gz LHSRAKSVSYMJGK-UHFFFAOYSA-N 1 0 182.223 0.206 50 0 ACAARO COc1ccccc1[C@H](O)C[NH3+] 8699499 168278683 /nfs/dbraw/zinc/27/86/83/168278683.db2.gz ILFKFOKAPPGUOP-MRVPVSSYSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO COc1cccnc1O[C@@H]1CC[NH2+]C1 95483713 168278858 /nfs/dbraw/zinc/27/88/58/168278858.db2.gz ALUGPQVACYVXHU-MRVPVSSYSA-N 1 0 194.234 0.831 50 0 ACAARO COc1cnc(C[NH3+])cc1OC 82856066 168279628 /nfs/dbraw/zinc/27/96/28/168279628.db2.gz DBLLXYGYRUSBRB-UHFFFAOYSA-N 1 0 168.196 0.558 50 0 ACAARO COc1ccnc(C[NH3+])c1 39050929 168279682 /nfs/dbraw/zinc/27/96/82/168279682.db2.gz SGKAHGGNLZRWQM-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1ccnc(O[C@H]2CC[NH2+]C2)c1 95483690 168279706 /nfs/dbraw/zinc/27/97/06/168279706.db2.gz XYZKPGZBZYSBAB-VIFPVBQESA-N 1 0 194.234 0.831 50 0 ACAARO COc1ccncc1C[NH3+] 83119768 168279738 /nfs/dbraw/zinc/27/97/38/168279738.db2.gz OVDCBJBPAPQXIE-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1cc[nH+]c(N)c1 6643273 168279820 /nfs/dbraw/zinc/27/98/20/168279820.db2.gz QPHBCOSULYSASF-UHFFFAOYSA-N 1 0 124.143 0.672 50 0 in-vitro ACAARO COc1ccnc(O[C@H]2CC[NH2+]C2)n1 51868462 168279926 /nfs/dbraw/zinc/27/99/26/168279926.db2.gz IGBREMBCBGCSRS-ZETCQYMHSA-N 1 0 195.222 0.226 50 0 ACAARO COc1ccnc(O[C@@H]2CC[NH2+]C2)n1 51868461 168279972 /nfs/dbraw/zinc/27/99/72/168279972.db2.gz IGBREMBCBGCSRS-SSDOTTSWSA-N 1 0 195.222 0.226 50 0 ACAARO COc1ccnc(C[NH3+])c1OC 58824366 168279988 /nfs/dbraw/zinc/27/99/88/168279988.db2.gz KGUSEJCYFZWERN-UHFFFAOYSA-N 1 0 168.196 0.558 50 0 ACAARO COc1ccnc(O[C@@H]2CC[NH2+]C2)c1 95483689 168280026 /nfs/dbraw/zinc/28/00/26/168280026.db2.gz XYZKPGZBZYSBAB-SECBINFHSA-N 1 0 194.234 0.831 50 0 ACAARO COc1ccncc1CC[NH3+] 44399244 168280415 /nfs/dbraw/zinc/28/04/15/168280415.db2.gz AHPUALRKQVJEHD-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 ACAARO COc1coc(C[NH3+])cc1=O 392500 168280829 /nfs/dbraw/zinc/28/08/29/168280829.db2.gz STAYEWBVUANVDO-UHFFFAOYSA-N 1 0 155.153 0.107 50 0 ACAARO COc1cnccc1CC[NH3+] 66327922 168281246 /nfs/dbraw/zinc/28/12/46/168281246.db2.gz LUOUKBFLILUAIJ-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1cnccc1C[NH3+] 35569971 168281330 /nfs/dbraw/zinc/28/13/30/168281330.db2.gz HORLVFVZWZFFFI-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1c[nH+]ccc1N 14982098 168281344 /nfs/dbraw/zinc/28/13/44/168281344.db2.gz GPMHHELOMRCBRN-UHFFFAOYSA-N 1 0 124.143 0.672 50 0 in-vitro ACAARO COc1cnc(O[C@H]2CC[NH2+]C2)nc1 95483716 168281456 /nfs/dbraw/zinc/28/14/56/168281456.db2.gz LIHFMKWWVAIAJF-ZETCQYMHSA-N 1 0 195.222 0.226 50 0 ACAARO COc1cnc(O[C@@H]2CC[NH2+]C2)nc1 95483715 168281589 /nfs/dbraw/zinc/28/15/89/168281589.db2.gz LIHFMKWWVAIAJF-SSDOTTSWSA-N 1 0 195.222 0.226 50 0 ACAARO COc1cncc(CC[NH3+])c1 44371842 168281941 /nfs/dbraw/zinc/28/19/41/168281941.db2.gz QZVJRIZHYSQGFO-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1cncc(C[NH3+])c1 82410667 168281951 /nfs/dbraw/zinc/28/19/51/168281951.db2.gz HODRJLWIXVIVOC-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO COc1nc(C)cc(C[NH3+])n1 82842397 168282568 /nfs/dbraw/zinc/28/25/68/168282568.db2.gz VBETYKQBEGSHEI-UHFFFAOYSA-N 1 0 153.185 0.252 50 0 ACAARO COc1nc(C)ccc1C[NH3+] 36379952 168283546 /nfs/dbraw/zinc/28/35/46/168283546.db2.gz GQPZJYLNBFBGKW-UHFFFAOYSA-N 1 0 152.197 0.857 50 0 in-vitro ACAARO COc1ncc2c(n1)CC[NH2+]C2 49582345 168285686 /nfs/dbraw/zinc/28/56/86/168285686.db2.gz BXZQEZOMCIZRCS-UHFFFAOYSA-N 1 0 165.196 0.131 50 0 ACAARO COc1ncc(C[NH3+])s1 39134483 168286115 /nfs/dbraw/zinc/28/61/15/168286115.db2.gz JWUZBESCMDKWCP-UHFFFAOYSA-N 1 0 144.199 0.610 50 0 ACAARO COc1ncc(CC[NH3+])cc1C 44372606 168286378 /nfs/dbraw/zinc/28/63/78/168286378.db2.gz FIHPXSUJQDREGI-UHFFFAOYSA-N 1 0 166.224 0.900 50 0 ACAARO COc1ncccc1CC[NH3+] 20445838 168288474 /nfs/dbraw/zinc/28/84/74/168288474.db2.gz JFIYZBGQBGXCAA-UHFFFAOYSA-N 1 0 152.197 0.591 50 0 in-vitro ACAARO COc1ncnc2c1C[NH2+]CC2 35270253 168288658 /nfs/dbraw/zinc/28/86/58/168288658.db2.gz FAQYDZRQALQEDF-UHFFFAOYSA-N 1 0 165.196 0.131 50 0 in-vitro ACAARO COc1ncnc2c1CC[NH2+]C2 44136796 168289068 /nfs/dbraw/zinc/28/90/68/168289068.db2.gz MBSGIMPOKWUNJU-UHFFFAOYSA-N 1 0 165.196 0.131 50 0 in-vitro ACAARO COc1ncccc1C[NH3+] 19254823 168289092 /nfs/dbraw/zinc/28/90/92/168289092.db2.gz ITKBAOSPYUIRMP-UHFFFAOYSA-N 1 0 138.170 0.549 50 0 in-vitro ACAARO CS(=O)(=O)Cc1ccccc1C[NH3+] 72292124 168291142 /nfs/dbraw/zinc/29/11/42/168291142.db2.gz IHDICKBHPLOLJL-UHFFFAOYSA-N 1 0 199.275 0.690 50 0 ACAARO CS(=O)(=O)CC1CC[NH2+]CC1 34928968 168291164 /nfs/dbraw/zinc/29/11/64/168291164.db2.gz LGYCYNNJLVQISG-UHFFFAOYSA-N 1 0 177.269 0.031 50 0 in-vitro ACAARO CS(=O)(=O)CC1CCC([NH3+])CC1 113265674 168291180 /nfs/dbraw/zinc/29/11/80/168291180.db2.gz ISVAEECBNYJRAX-UHFFFAOYSA-N 1 0 191.296 0.549 50 0 ACAARO CS(=O)(=O)C[C@H]1CCC[NH2+]C1 40449886 168291304 /nfs/dbraw/zinc/29/13/04/168291304.db2.gz YIFHCOIIDDBQCK-ZETCQYMHSA-N 1 0 177.269 0.031 50 0 in-vitro ACAARO CS(=O)(=O)C[C@@H]([NH3+])c1ccccc1 34101629 168291427 /nfs/dbraw/zinc/29/14/27/168291427.db2.gz KCTBOUZUBDHINS-SECBINFHSA-N 1 0 199.275 0.731 50 0 in-vitro ACAARO CS(=O)(=O)C[C@@H]1CCC[NH2+]C1 40449884 168291549 /nfs/dbraw/zinc/29/15/49/168291549.db2.gz YIFHCOIIDDBQCK-SSDOTTSWSA-N 1 0 177.269 0.031 50 0 in-vitro ACAARO CS(=O)(=O)C[C@@H]1CCCC[NH2+]1 84303391 168291562 /nfs/dbraw/zinc/29/15/62/168291562.db2.gz PSJCUIAUCFPJGK-ZETCQYMHSA-N 1 0 177.269 0.173 50 0 ACAARO CS(=O)(=O)Cc1cccc(C[NH3+])c1 47843699 168291570 /nfs/dbraw/zinc/29/15/70/168291570.db2.gz IGZNDNGPEIYQPX-UHFFFAOYSA-N 1 0 199.275 0.690 50 0 ACAARO CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2 95725443 168291664 /nfs/dbraw/zinc/29/16/64/168291664.db2.gz USSLFBOSDUOAFD-DHBOJHSNSA-N 1 0 189.280 0.314 50 0 ACAARO CS(=O)(=O)Cc1ccc(C[NH3+])cc1 36378439 168291790 /nfs/dbraw/zinc/29/17/90/168291790.db2.gz SZHQMBFLAZHRLB-UHFFFAOYSA-N 1 0 199.275 0.690 50 0 in-vitro ACAARO CS(=O)(=O)CC1(C[NH3+])CCC1 96532044 168291808 /nfs/dbraw/zinc/29/18/08/168291808.db2.gz QDZUWUUVMDRQAZ-UHFFFAOYSA-N 1 0 177.269 0.160 50 0 ACAARO CS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 40449888 168291845 /nfs/dbraw/zinc/29/18/45/168291845.db2.gz GXOZWSDGABKARV-QMMMGPOBSA-N 1 0 191.296 0.563 50 0 in-vitro ACAARO CS(=O)(=O)C[C@H]([NH3+])c1ccccc1 34101628 168291861 /nfs/dbraw/zinc/29/18/61/168291861.db2.gz KCTBOUZUBDHINS-VIFPVBQESA-N 1 0 199.275 0.731 50 0 in-vitro ACAARO CS(=O)(=O)C1CCC([NH3+])CC1 19421958 168291941 /nfs/dbraw/zinc/29/19/41/168291941.db2.gz AQVBQDPPRIPJIW-UHFFFAOYSA-N 1 0 177.269 0.301 50 0 in-vitro ACAARO CS(=O)(=O)C[C@H]1CCCC[NH2+]1 84303393 168292301 /nfs/dbraw/zinc/29/23/01/168292301.db2.gz PSJCUIAUCFPJGK-SSDOTTSWSA-N 1 0 177.269 0.173 50 0 ACAARO CS(=O)(=O)C1(C[NH3+])CCCCC1 52788896 168292346 /nfs/dbraw/zinc/29/23/46/168292346.db2.gz ZGVVNNZLNGFEIY-UHFFFAOYSA-N 1 0 191.296 0.693 50 0 ACAARO CS(=O)(=O)C1(C[NH3+])CCCC1 47845033 168292354 /nfs/dbraw/zinc/29/23/54/168292354.db2.gz YIHCDJHLBGVHNU-UHFFFAOYSA-N 1 0 177.269 0.303 50 0 in-vitro ACAARO CS(=O)(=O)CC[C@H]1CCCC[NH2+]1 40449889 168292587 /nfs/dbraw/zinc/29/25/87/168292587.db2.gz GXOZWSDGABKARV-MRVPVSSYSA-N 1 0 191.296 0.563 50 0 in-vitro ACAARO CS(=O)(=O)CCCCC[NH3+] 63016164 168292690 /nfs/dbraw/zinc/29/26/90/168292690.db2.gz FBIOSNLQVWNGLC-UHFFFAOYSA-N 1 0 165.258 0.160 50 0 in-vitro ACAARO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH3+] 47843851 168292816 /nfs/dbraw/zinc/29/28/16/168292816.db2.gz MBOUYTIVZNSOKX-RNFRBKRXSA-N 1 0 177.269 0.301 50 0 ACAARO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH3+])C1 19421960 168293219 /nfs/dbraw/zinc/29/32/19/168293219.db2.gz AKOGHTLFCULLKV-RNFRBKRXSA-N 1 0 177.269 0.301 50 0 in-vitro ACAARO CS(=O)(=O)[C@@H]1CCC[NH2+]CC1 44682254 168293772 /nfs/dbraw/zinc/29/37/72/168293772.db2.gz SGXTTYVSXPGNRM-SSDOTTSWSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CS(=O)(=O)[C@@H]1CCCC[NH2+]C1 98095764 168293910 /nfs/dbraw/zinc/29/39/10/168293910.db2.gz QTOOOBZUCATRPS-SSDOTTSWSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH3+])C1 19421964 168294370 /nfs/dbraw/zinc/29/43/70/168294370.db2.gz AKOGHTLFCULLKV-NKWVEPMBSA-N 1 0 177.269 0.301 50 0 in-vitro ACAARO CS(=O)(=O)[C@H]1CCCC[NH2+]C1 98095765 168294540 /nfs/dbraw/zinc/29/45/40/168294540.db2.gz QTOOOBZUCATRPS-ZETCQYMHSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CS(=O)(=O)c1ccccc1CC[NH3+] 57937763 168294574 /nfs/dbraw/zinc/29/45/74/168294574.db2.gz KZCCTNYYIOIHOP-UHFFFAOYSA-N 1 0 199.275 0.591 50 0 ACAARO CS(=O)(=O)c1cccc(C(N)=[NH2+])c1 84290036 168294612 /nfs/dbraw/zinc/29/46/12/168294612.db2.gz OHJRRDGKLRDSBJ-UHFFFAOYSA-N 1 0 198.247 0.374 50 0 ACAARO CS(=O)(=O)c1ccc(CC[NH3+])cc1 1494946 168294656 /nfs/dbraw/zinc/29/46/56/168294656.db2.gz XFXSJOHJDZJFCP-UHFFFAOYSA-N 1 0 199.275 0.591 50 0 in-vitro ACAARO CS(=O)(=O)[C@H]1CCC[C@@H]([NH3+])C1 19421962 168294826 /nfs/dbraw/zinc/29/48/26/168294826.db2.gz AKOGHTLFCULLKV-RQJHMYQMSA-N 1 0 177.269 0.301 50 0 in-vitro ACAARO CS(=O)(=O)c1cccc(C[NH3+])c1 1494941 168295263 /nfs/dbraw/zinc/29/52/63/168295263.db2.gz DQFOSYRXEOWKOY-UHFFFAOYSA-N 1 0 185.248 0.549 50 0 in-vitro ACAARO CS(=O)(=O)c1ccc(C(N)=[NH2+])cc1 1706264 168295295 /nfs/dbraw/zinc/29/52/95/168295295.db2.gz ANPBNAUKOUYEGJ-UHFFFAOYSA-N 1 0 198.247 0.374 50 0 in-vivo ACAARO CS(=O)(=O)c1ccccc1C[NH3+] 42684206 168295310 /nfs/dbraw/zinc/29/53/10/168295310.db2.gz NKOMETMTMXTMLP-UHFFFAOYSA-N 1 0 185.248 0.549 50 0 in-vitro ACAARO CS(=O)(=O)[C@H]1CCC[NH2+]CC1 44682257 168295599 /nfs/dbraw/zinc/29/55/99/168295599.db2.gz SGXTTYVSXPGNRM-ZETCQYMHSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CS(=O)(=O)[C@H]1CCC[C@H]([NH3+])C1 19421966 168295607 /nfs/dbraw/zinc/29/56/07/168295607.db2.gz AKOGHTLFCULLKV-BQBZGAKWSA-N 1 0 177.269 0.301 50 0 in-vitro ACAARO CS(=O)(=O)c1ccc(C[NH3+])cc1 86758 168295624 /nfs/dbraw/zinc/29/56/24/168295624.db2.gz VMNXLLDFGVEBLE-UHFFFAOYSA-N 1 0 185.248 0.549 50 0 in-vitro ACAARO CS(=O)(=O)c1ccc(C[NH3+])s1 75772143 168295825 /nfs/dbraw/zinc/29/58/25/168295825.db2.gz HBWPQQXFWIVESS-UHFFFAOYSA-N 1 0 191.277 0.610 50 0 in-vitro ACAARO CS(=O)(=O)c1cccc(CC[NH3+])c1 57937761 168295921 /nfs/dbraw/zinc/29/59/21/168295921.db2.gz OIWYCAKEVPDNNP-UHFFFAOYSA-N 1 0 199.275 0.591 50 0 in-vitro ACAARO CSC1=[NH+]CCCN1 3641564 168296124 /nfs/dbraw/zinc/29/61/24/168296124.db2.gz LNIWJQUFHYHVKX-UHFFFAOYSA-N 1 0 130.216 0.699 50 0 in-vitro ACAARO CSC(=[NH2+])N(C)C 4620596 168296263 /nfs/dbraw/zinc/29/62/63/168296263.db2.gz LUHZPAHUMZZFPL-UHFFFAOYSA-N 1 0 118.205 0.846 50 0 in-vitro ACAARO CSC(N)=[NH2+] 4676170 168296295 /nfs/dbraw/zinc/29/62/95/168296295.db2.gz SDDKIZNHOCEXTF-UHFFFAOYSA-N 1 0 90.151 0.243 50 0 in-vitro ACAARO CSC1=[NH+]CCN1C 38759321 168296376 /nfs/dbraw/zinc/29/63/76/168296376.db2.gz PTFFWCHVBDAOMF-UHFFFAOYSA-N 1 0 130.216 0.651 50 0 ACAARO CSC1(C[NH3+])CCOCC1 71373280 168296493 /nfs/dbraw/zinc/29/64/93/168296493.db2.gz XGEMVLXYSWZWDU-UHFFFAOYSA-N 1 0 161.270 0.857 50 0 in-vitro ACAARO CSC1=[NH+]CCN1CCO 1604746 168296956 /nfs/dbraw/zinc/29/69/56/168296956.db2.gz NKSMOQFVHRLFAG-UHFFFAOYSA-N 1 0 160.242 0.013 50 0 ACAARO CSC1(C[NH3+])CC1 83484197 168297149 /nfs/dbraw/zinc/29/71/49/168297149.db2.gz XGGSNZZIPYLUBJ-UHFFFAOYSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO CSC1=[NH+]CCN1 1634181 168297736 /nfs/dbraw/zinc/29/77/36/168297736.db2.gz MTIMDGQILFWMJI-UHFFFAOYSA-N 1 0 116.189 0.309 50 0 in-vitro ACAARO CSC1=[NH+]C[C@@H](C)N1 38892399 168298015 /nfs/dbraw/zinc/29/80/15/168298015.db2.gz VQFMGZKAYGRUSU-SCSAIBSYSA-N 1 0 130.216 0.697 50 0 ACAARO CSC1=[NH+]C[C@H](C)N1 38892400 168298022 /nfs/dbraw/zinc/29/80/22/168298022.db2.gz VQFMGZKAYGRUSU-BYPYZUCNSA-N 1 0 130.216 0.697 50 0 ACAARO CSCCC(N)=[NH2+] 38063714 168298535 /nfs/dbraw/zinc/29/85/35/168298535.db2.gz OXGHHAMQUZOZJR-UHFFFAOYSA-N 1 0 118.205 0.675 50 0 in-vitro ACAARO CSCC(N)=[NH2+] 1439401 168298866 /nfs/dbraw/zinc/29/88/66/168298866.db2.gz IPXQJGJVWOCNPS-UHFFFAOYSA-N 1 0 104.178 0.285 50 0 in-vitro ACAARO CSC1C[NH2+]C1 54931810 168299291 /nfs/dbraw/zinc/29/92/91/168299291.db2.gz UCCIFFGORAXIFG-UHFFFAOYSA-N 1 0 103.190 0.321 50 0 ACAARO CSCC[NH+]1CCC([NH3+])CC1 49478733 168299815 /nfs/dbraw/zinc/29/98/15/168299815.db2.gz XDNZLJFOKWVEEZ-UHFFFAOYSA-N 1 0 174.313 0.773 50 0 in-vitro ACAARO CSCCN1CC[NH2+]CC1 43500637 168300114 /nfs/dbraw/zinc/30/01/14/168300114.db2.gz UGZMAGZLJLYEAN-UHFFFAOYSA-N 1 0 160.286 0.255 50 0 ACAARO CSCCC[NH3+] 1529637 168300162 /nfs/dbraw/zinc/30/01/62/168300162.db2.gz KKYSBGWCYXYOHA-UHFFFAOYSA-N 1 0 105.206 0.698 50 0 in-vitro ACAARO CSCC[C@@H]([NH3+])C(=O)N(C)C 34060822 168301411 /nfs/dbraw/zinc/30/14/11/168301411.db2.gz NJAVVXLRMYVVLK-ZCFIWIBFSA-N 1 0 176.285 0.155 50 0 ACAARO CSCC[NH3+] 1692565 168301496 /nfs/dbraw/zinc/30/14/96/168301496.db2.gz CYWGSFFHHMQKET-UHFFFAOYSA-N 1 0 91.179 0.308 50 0 in-vitro ACAARO CSCC[C@@](C)(O)C[NH3+] 79617766 168301843 /nfs/dbraw/zinc/30/18/43/168301843.db2.gz HKODJSHFBDQXRV-ZCFIWIBFSA-N 1 0 149.259 0.449 50 0 ACAARO CSC[C@@H](C)[NH3+] 38855755 168301945 /nfs/dbraw/zinc/30/19/45/168301945.db2.gz ZXGNLASDUYGVFG-SCSAIBSYSA-N 1 0 105.206 0.697 50 0 in-vitro ACAARO CSCC[C@H]([NH3+])C(C)(C)O 95629644 168302102 /nfs/dbraw/zinc/30/21/02/168302102.db2.gz BPZLRBFXTVALPE-LURJTMIESA-N 1 0 163.286 0.838 50 0 ACAARO CSCC[C@H]([NH3+])C(=O)N(C)C 34060823 168302658 /nfs/dbraw/zinc/30/26/58/168302658.db2.gz NJAVVXLRMYVVLK-LURJTMIESA-N 1 0 176.285 0.155 50 0 in-vitro ACAARO CSCC[C@@H]([NH3+])C(C)(C)O 90557145 168302757 /nfs/dbraw/zinc/30/27/57/168302757.db2.gz BPZLRBFXTVALPE-ZCFIWIBFSA-N 1 0 163.286 0.838 50 0 in-vitro ACAARO CSCC[C@H]([NH3+])CO 1694668 168302919 /nfs/dbraw/zinc/30/29/19/168302919.db2.gz MIQJGZAEWQQAPN-YFKPBYRVSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CSCC[C@H]([NH3+])CN 33882232 168302988 /nfs/dbraw/zinc/30/29/88/168302988.db2.gz JCPJXANXGBPYRU-YFKPBYRVSA-N 1 0 134.248 0.026 50 0 in-vitro ACAARO CSC[C@@H](C)C[NH3+] 38063969 168303081 /nfs/dbraw/zinc/30/30/81/168303081.db2.gz SKMIZTANAVSWRO-YFKPBYRVSA-N 1 0 119.233 0.944 50 0 in-vitro ACAARO CSC[C@@H]([NH3+])CCO 68577422 168303318 /nfs/dbraw/zinc/30/33/18/168303318.db2.gz KLZAYMUKQIJPJV-YFKPBYRVSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CSC[C@@H]1CC[NH2+]C1 51891065 168303415 /nfs/dbraw/zinc/30/34/15/168303415.db2.gz DLRXQZPIZMUQQC-ZCFIWIBFSA-N 1 0 131.244 0.959 50 0 in-vitro ACAARO CSCC[C@@H]([NH3+])CO 2043553 168303447 /nfs/dbraw/zinc/30/34/47/168303447.db2.gz MIQJGZAEWQQAPN-RXMQYKEDSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CSCC[C@](C)(O)C[NH3+] 79617769 168303632 /nfs/dbraw/zinc/30/36/32/168303632.db2.gz HKODJSHFBDQXRV-LURJTMIESA-N 1 0 149.259 0.449 50 0 ACAARO CSC[C@H](C)C[NH3+] 38063970 168304030 /nfs/dbraw/zinc/30/40/30/168304030.db2.gz SKMIZTANAVSWRO-RXMQYKEDSA-N 1 0 119.233 0.944 50 0 in-vitro ACAARO CSC[C@H]1CC[NH2+]C1 51891067 168304086 /nfs/dbraw/zinc/30/40/86/168304086.db2.gz DLRXQZPIZMUQQC-LURJTMIESA-N 1 0 131.244 0.959 50 0 in-vitro ACAARO CSC[C@](C)(O)C[NH3+] 68576819 168304189 /nfs/dbraw/zinc/30/41/89/168304189.db2.gz FAAUGCYOEQBJIZ-RXMQYKEDSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CSC[C@H](C)[NH3+] 38855753 168304325 /nfs/dbraw/zinc/30/43/25/168304325.db2.gz ZXGNLASDUYGVFG-BYPYZUCNSA-N 1 0 105.206 0.697 50 0 in-vitro ACAARO CSC[C@@](C)(O)C[NH3+] 68576821 168304680 /nfs/dbraw/zinc/30/46/80/168304680.db2.gz FAAUGCYOEQBJIZ-YFKPBYRVSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CSC[C@H]([NH3+])CCO 68577420 168305175 /nfs/dbraw/zinc/30/51/75/168305175.db2.gz KLZAYMUKQIJPJV-RXMQYKEDSA-N 1 0 135.232 0.059 50 0 in-vitro ACAARO CS[C@@H](C)C[NH3+] 43514745 168306418 /nfs/dbraw/zinc/30/64/18/168306418.db2.gz PJHRMQPEENZCPK-BYPYZUCNSA-N 1 0 105.206 0.697 50 0 in-vitro ACAARO CS[C@@H](CO)[C@@H](C)[NH3+] 68577001 168306541 /nfs/dbraw/zinc/30/65/41/168306541.db2.gz HPAAJQUKBGIDMA-UHNVWZDZSA-N 1 0 135.232 0.058 50 0 in-vitro ACAARO CSCc1n[nH]c(C[NH3+])n1 61843802 168306896 /nfs/dbraw/zinc/30/68/96/168306896.db2.gz AVNFKXFQHNMBLO-UHFFFAOYSA-N 1 0 158.230 0.126 50 0 ACAARO CS[C@@H](CO)[C@H](C)[NH3+] 68577000 168306908 /nfs/dbraw/zinc/30/69/08/168306908.db2.gz HPAAJQUKBGIDMA-WHFBIAKZSA-N 1 0 135.232 0.058 50 0 in-vitro ACAARO CS[C@@H]1CC[NH2+]C1 51784152 168307595 /nfs/dbraw/zinc/30/75/95/168307595.db2.gz YRUWMEUBLIEWGY-RXMQYKEDSA-N 1 0 117.217 0.711 50 0 ACAARO CS[C@H](CO)[C@H](C)[NH3+] 68576995 168307798 /nfs/dbraw/zinc/30/77/98/168307798.db2.gz HPAAJQUKBGIDMA-CRCLSJGQSA-N 1 0 135.232 0.058 50 0 in-vitro ACAARO CS[C@@H]1C[NH2+]C[C@H]1N1CCCC1 95348362 168307878 /nfs/dbraw/zinc/30/78/78/168307878.db2.gz DWOLKHBYIGXPSE-RKDXNWHRSA-N 1 0 186.324 0.786 50 0 in-vitro ACAARO CS[C@@H]1C[NH2+]C[C@@H]1N1CCCC1 95348360 168307902 /nfs/dbraw/zinc/30/79/02/168307902.db2.gz DWOLKHBYIGXPSE-DTWKUNHWSA-N 1 0 186.324 0.786 50 0 in-vitro ACAARO CS[C@@H]1C[NH2+]C[C@@H]1N(C)C 82164082 168308009 /nfs/dbraw/zinc/30/80/09/168308009.db2.gz GZXRMSQJHZBCEH-NKWVEPMBSA-N 1 0 160.286 0.251 50 0 in-vitro ACAARO CS[C@H](CO)[C@@H](C)[NH3+] 68576997 168308276 /nfs/dbraw/zinc/30/82/76/168308276.db2.gz HPAAJQUKBGIDMA-RFZPGFLSSA-N 1 0 135.232 0.058 50 0 in-vitro ACAARO CS[C@@H]1C[NH2+]C[C@H]1N(C)C 82164080 168308376 /nfs/dbraw/zinc/30/83/76/168308376.db2.gz GZXRMSQJHZBCEH-RNFRBKRXSA-N 1 0 160.286 0.251 50 0 in-vitro ACAARO CS[C@H](C)C[NH3+] 43514746 168308485 /nfs/dbraw/zinc/30/84/85/168308485.db2.gz PJHRMQPEENZCPK-SCSAIBSYSA-N 1 0 105.206 0.697 50 0 in-vitro ACAARO CS[C@H]1CC[NH2+]C1 51784154 168308511 /nfs/dbraw/zinc/30/85/11/168308511.db2.gz YRUWMEUBLIEWGY-YFKPBYRVSA-N 1 0 117.217 0.711 50 0 ACAARO CS[C@H]1C[NH2+]C[C@H]1N(C)C 82164077 168309210 /nfs/dbraw/zinc/30/92/10/168309210.db2.gz GZXRMSQJHZBCEH-RQJHMYQMSA-N 1 0 160.286 0.251 50 0 in-vitro ACAARO CS[C@H]1C[NH2+]C[C@@H]1N1CCCC1 95348361 168309755 /nfs/dbraw/zinc/30/97/55/168309755.db2.gz DWOLKHBYIGXPSE-IUCAKERBSA-N 1 0 186.324 0.786 50 0 in-vitro ACAARO CS[C@H]1C[NH2+]C[C@@H]1N(C)C 82164079 168310113 /nfs/dbraw/zinc/31/01/13/168310113.db2.gz GZXRMSQJHZBCEH-BQBZGAKWSA-N 1 0 160.286 0.251 50 0 in-vitro ACAARO CS[C@H]1C[NH2+]C[C@H]1N1CCCC1 95348363 168310118 /nfs/dbraw/zinc/31/01/18/168310118.db2.gz DWOLKHBYIGXPSE-BDAKNGLRSA-N 1 0 186.324 0.786 50 0 in-vitro ACAARO CSc1nc(C)cc(NN)[nH+]1 19091249 168314408 /nfs/dbraw/zinc/31/44/08/168314408.db2.gz IICQWDJYVKCOTB-UHFFFAOYSA-N 1 0 170.241 0.793 50 0 in-vitro ACAARO CSc1nc2c(c(=O)[nH]1)C[NH2+]CC2 32919434 168314930 /nfs/dbraw/zinc/31/49/30/168314930.db2.gz ZPJNCVRBWFZBFA-UHFFFAOYSA-N 1 0 197.263 0.550 50 0 in-vitro ACAARO CSc1cn2c([n+]1C)CCC2 13116040 168315106 /nfs/dbraw/zinc/31/51/06/168315106.db2.gz VCJOOHFRTLHJEM-UHFFFAOYSA-N 1 0 169.273 0.981 50 0 ACAARO CSc1nc(N)cc(N)[nH+]1 73626 168315227 /nfs/dbraw/zinc/31/52/27/168315227.db2.gz AHAIUNAIAHSWPG-UHFFFAOYSA-N 1 0 156.214 0.363 50 0 in-vitro ACAARO CSc1ncc(C[NH3+])n1C 21953282 168315967 /nfs/dbraw/zinc/31/59/67/168315967.db2.gz NPSIXRQSUMAWQQ-UHFFFAOYSA-N 1 0 157.242 0.601 50 0 ACAARO CSc1nccc(C[NH3+])n1 72206914 168316058 /nfs/dbraw/zinc/31/60/58/168316058.db2.gz JLXFMUSLZWZXGK-UHFFFAOYSA-N 1 0 155.226 0.657 50 0 ACAARO CSc1ncc2c(n1)C[NH2+]CC2 50888582 168316069 /nfs/dbraw/zinc/31/60/69/168316069.db2.gz IZZLWBRHISLWME-UHFFFAOYSA-N 1 0 181.264 0.844 50 0 in-vitro ACAARO CSc1ncc(CC[NH3+])cn1 82854681 168316842 /nfs/dbraw/zinc/31/68/42/168316842.db2.gz AVNHQGWHNKPLCP-UHFFFAOYSA-N 1 0 169.253 0.700 50 0 ACAARO CSc1nnc([C@H]2CCC[NH2+]2)n1C 4453498 168317800 /nfs/dbraw/zinc/31/78/00/168317800.db2.gz OYYGTBRHLZMEHT-ZCFIWIBFSA-N 1 0 198.295 0.962 50 0 ACAARO CSc1nnc(CC[NH3+])o1 5362294 168318534 /nfs/dbraw/zinc/31/85/34/168318534.db2.gz FKFYRYHLJJJXQT-UHFFFAOYSA-N 1 0 159.214 0.293 50 0 ACAARO CSc1nnc([C@@H]2CCC[NH2+]2)n1C 5000490 168318650 /nfs/dbraw/zinc/31/86/50/168318650.db2.gz OYYGTBRHLZMEHT-LURJTMIESA-N 1 0 198.295 0.962 50 0 ACAARO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C)C1 32023532 168329350 /nfs/dbraw/zinc/32/93/50/168329350.db2.gz PNFJLSHWBWNVQQ-SFYZADRCSA-N 1 0 170.256 0.592 50 0 ACAARO C[C@@H](C(N)=O)[NH+]1C[C@H](C)C[C@@H](C)C1 32023646 168329961 /nfs/dbraw/zinc/32/99/61/168329961.db2.gz NEMZPKYPNPZWHB-HLTSFMKQSA-N 1 0 184.283 0.838 50 0 ACAARO C[C@@H](C(N)=O)[NH+]1CCCCCC1 9051324 168330187 /nfs/dbraw/zinc/33/01/87/168330187.db2.gz VIZKWUMQPUMZJZ-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO C[C@@H](C(N)=O)[NH+]1CCCCC1 32016254 168330227 /nfs/dbraw/zinc/33/02/27/168330227.db2.gz HUKJYNXDTWJWQN-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)NC1CC1 48341299 168331453 /nfs/dbraw/zinc/33/14/53/168331453.db2.gz GJCSFSGDBXWOAT-QMMMGPOBSA-N 1 0 196.294 0.995 50 0 ACAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCC1 65564767 168331861 /nfs/dbraw/zinc/33/18/61/168331861.db2.gz OLIGKWVMXYVEKB-VIFPVBQESA-N 1 0 196.294 0.949 50 0 ACAARO C[C@@H](C1CC1)[NH+]1CCNCC1 23288729 168332203 /nfs/dbraw/zinc/33/22/03/168332203.db2.gz AXJIJAULSKAVAR-QMMMGPOBSA-N 1 0 154.257 0.690 50 0 in-vitro ACAARO C[C@@H](CCCC(C)(C)O)[NH2+]CCO 1814626 168336776 /nfs/dbraw/zinc/33/67/76/168336776.db2.gz HXHKBWXEXDBQRY-VIFPVBQESA-N 1 0 189.299 0.898 50 0 ACAARO C[C@@H](CCCO)[NH2+]Cc1cnn(C)c1 87358162 168337942 /nfs/dbraw/zinc/33/79/42/168337942.db2.gz IUAXOQXGYSCIFW-VIFPVBQESA-N 1 0 197.282 0.671 50 0 ACAARO C[C@@H](CCO)[NH+]1CCCC1 19092465 168339040 /nfs/dbraw/zinc/33/90/40/168339040.db2.gz FKCMGWYAPOCAKE-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@@H](CCO)[NH+](C)C 1634193 168339256 /nfs/dbraw/zinc/33/92/56/168339256.db2.gz QTTKJYGPXLCJNF-LURJTMIESA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[C@@H](CCO)[NH+]1CCOCC1 19092363 168339373 /nfs/dbraw/zinc/33/93/73/168339373.db2.gz SKNVZWRSIWZAAB-QMMMGPOBSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO C[C@@H](CC[NH3+])[S@@](C)=O 78210797 168339466 /nfs/dbraw/zinc/33/94/66/168339466.db2.gz ZFDQZKLMDYFXPU-XNCJUZBTSA-N 1 0 135.232 0.102 50 0 in-vitro ACAARO C[C@@H](CC[NH3+])[S@](C)=O 78210795 168339553 /nfs/dbraw/zinc/33/95/53/168339553.db2.gz ZFDQZKLMDYFXPU-YLWLKBPMSA-N 1 0 135.232 0.102 50 0 in-vitro ACAARO C[C@@H](CC[NH3+])n1ccnc1 34195721 168339562 /nfs/dbraw/zinc/33/95/62/168339562.db2.gz WAZALYDSTDIFIY-ZETCQYMHSA-N 1 0 139.202 0.793 50 0 in-vitro ACAARO C[C@@H](CC[NH3+])N1CCOCC1 19092012 168340006 /nfs/dbraw/zinc/34/00/06/168340006.db2.gz PJRDKXUODLOYBV-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO C[C@@H](CN(C)C)[NH+](C)C 22033550 168340771 /nfs/dbraw/zinc/34/07/71/168340771.db2.gz JUXXCHAGQCBNTI-ZETCQYMHSA-N 1 0 130.235 0.498 50 0 ACAARO C[C@@H](C[NH3+])C1CC1 19726213 168341021 /nfs/dbraw/zinc/34/10/21/168341021.db2.gz RQUOMUYKVVAWSQ-YFKPBYRVSA-N 1 0 99.177 0.991 50 0 ACAARO C[C@@H](C[NH3+])C(=O)OC(C)(C)C 19738629 168341292 /nfs/dbraw/zinc/34/12/92/168341292.db2.gz ZCDAFFAFDGDAGL-LURJTMIESA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO C[C@@H](C[NH3+])Cn1cccn1 11804686 168342308 /nfs/dbraw/zinc/34/23/08/168342308.db2.gz ALKBHLMMLZCTGN-ZETCQYMHSA-N 1 0 139.202 0.478 50 0 in-vitro ACAARO C[C@@H](C[NH3+])N(C)C1CC1 37080619 168343570 /nfs/dbraw/zinc/34/35/70/168343570.db2.gz CJNQYMXCJLLYEA-LURJTMIESA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO C[C@@H](C[NH3+])Cn1ccnc1 11735101 168344111 /nfs/dbraw/zinc/34/41/11/168344111.db2.gz LFIAHNVTEYHKAO-ZETCQYMHSA-N 1 0 139.202 0.478 50 0 in-vitro ACAARO C[C@@H](C[NH3+])CCCO 62498390 168344179 /nfs/dbraw/zinc/34/41/79/168344179.db2.gz JFENECNVZGWOMD-ZCFIWIBFSA-N 1 0 117.192 0.354 50 0 ACAARO C[C@@H](C[NH3+])CN1CCCC1=O 36677706 168344208 /nfs/dbraw/zinc/34/42/08/168344208.db2.gz SNLUHYGOYLDESA-ZETCQYMHSA-N 1 0 156.229 0.204 50 0 ACAARO C[C@@H](C[NH3+])CC1(C)OCCO1 68577328 168344333 /nfs/dbraw/zinc/34/43/33/168344333.db2.gz BJUCEZIZORMDLQ-SSDOTTSWSA-N 1 0 159.229 0.734 50 0 in-vitro ACAARO C[C@@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 22920549 168344530 /nfs/dbraw/zinc/34/45/30/168344530.db2.gz RNSSMMIAROTMLD-DJLDLDEBSA-N 1 0 172.272 0.443 50 0 in-vitro ACAARO C[C@@H](C[NH3+])N1CCOC[C@H]1C 35774476 168344677 /nfs/dbraw/zinc/34/46/77/168344677.db2.gz RYFDZQWYSMSMKS-JGVFFNPUSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@@H](C[NH3+])Oc1cccnc1 12953634 168344721 /nfs/dbraw/zinc/34/47/21/168344721.db2.gz LYGNMSMUTCMNQF-ZETCQYMHSA-N 1 0 152.197 0.808 50 0 in-vitro ACAARO C[C@@H](C[NH3+])S(=O)(=O)c1ccccc1 11896477 168344750 /nfs/dbraw/zinc/34/47/50/168344750.db2.gz NCYLYTBRCYZHLL-QMMMGPOBSA-N 1 0 199.275 0.808 50 0 ACAARO C[C@@H](C[NH3+])NCC(F)F 98095544 168344901 /nfs/dbraw/zinc/34/49/01/168344901.db2.gz QXSDJTBLPQRTNC-BYPYZUCNSA-N 1 0 138.161 0.188 50 0 in-vitro ACAARO C[C@@H](CN)[NH+]1CCCC1 19735763 168344929 /nfs/dbraw/zinc/34/49/29/168344929.db2.gz GUHQLUWDOMXRGQ-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO C[C@@H](CN)[NH+]1CCCCC1 19735759 168344965 /nfs/dbraw/zinc/34/49/65/168344965.db2.gz UNIIVAXJUCKZHT-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO C[C@@H](C[NH3+])NC(=O)OC(C)(C)C 11593528 168345073 /nfs/dbraw/zinc/34/50/73/168345073.db2.gz JQXZBJAAOLPTKP-LURJTMIESA-N 1 0 174.244 0.858 50 0 in-vitro ACAARO C[C@@H](C[NH3+])N1CCCCC1=O 70162235 168345316 /nfs/dbraw/zinc/34/53/16/168345316.db2.gz WJADHLCBPWNDAF-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO C[C@@H](C[NH3+])OC[C@@H]1CCCO1 14628635 168345572 /nfs/dbraw/zinc/34/55/72/168345572.db2.gz JOSNICIVZRKUDG-YUMQZZPRSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@@H](C[NH3+])OC[C@H]1CCCO1 14628639 168345952 /nfs/dbraw/zinc/34/59/52/168345952.db2.gz JOSNICIVZRKUDG-JGVFFNPUSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@@H](C[NH3+])N1CCOC[C@@H]1C 35774478 168345960 /nfs/dbraw/zinc/34/59/60/168345960.db2.gz RYFDZQWYSMSMKS-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@@H](C[NH3+])n1ccnc1 4226806 168346103 /nfs/dbraw/zinc/34/61/03/168346103.db2.gz AQOYMXGHHZSHPY-LURJTMIESA-N 1 0 125.175 0.403 50 0 ACAARO C[C@@H](C[NH3+])c1ncon1 54158941 168346853 /nfs/dbraw/zinc/34/68/53/168346853.db2.gz XZGLAEUHRHZJNH-BYPYZUCNSA-N 1 0 127.147 0.132 50 0 ACAARO C[C@@H](C[NH3+])c1c[nH]cn1 13524461 168347048 /nfs/dbraw/zinc/34/70/48/168347048.db2.gz UTXDPIGHIUIJIS-YFKPBYRVSA-N 1 0 125.175 0.472 50 0 in-vitro ACAARO C[C@@H](C[NH3+])n1cccn1 12398147 168347055 /nfs/dbraw/zinc/34/70/55/168347055.db2.gz GQZZHLYLVWFBAY-LURJTMIESA-N 1 0 125.175 0.403 50 0 in-vitro ACAARO C[C@@H](C[NH3+])c1ncc[nH]1 82835905 168347202 /nfs/dbraw/zinc/34/72/02/168347202.db2.gz ZKVYCQSCJORSLS-YFKPBYRVSA-N 1 0 125.175 0.472 50 0 ACAARO C[C@@H](CO)C1CC[NH2+]CC1 42384141 168347763 /nfs/dbraw/zinc/34/77/63/168347763.db2.gz SELWGLUXAIGHLL-ZETCQYMHSA-N 1 0 143.230 0.614 50 0 in-vitro ACAARO C[C@@H](CO)C[NH+](C)C 6036517 168347849 /nfs/dbraw/zinc/34/78/49/168347849.db2.gz FZASHPCRPMSFEG-ZCFIWIBFSA-N 1 0 117.192 0.176 50 0 in-vitro ACAARO C[C@@H](CO)C[NH+]1CCCC1 12650191 168348685 /nfs/dbraw/zinc/34/86/85/168348685.db2.gz DBVFKDFKCCLKPX-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO C[C@@H](CO)CCC[NH3+] 62498386 168349170 /nfs/dbraw/zinc/34/91/70/168349170.db2.gz JTFYMMKMDXPADE-ZCFIWIBFSA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO C[C@@H](CO)CC(C)(C)[NH3+] 71790805 168349485 /nfs/dbraw/zinc/34/94/85/168349485.db2.gz AAZVXDOYKPIBRI-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO C[C@@H](CO)[NH+]1CCCCC1 37625136 168349901 /nfs/dbraw/zinc/34/99/01/168349901.db2.gz VNLCHZSSJTZGBR-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@@H](CO)[NH2+]C1CCN(C)CC1 35603686 168350293 /nfs/dbraw/zinc/35/02/93/168350293.db2.gz KJXCUZCROJYXOO-QMMMGPOBSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@@H](CO)[NH2+]C1CCCC1 5762967 168350519 /nfs/dbraw/zinc/35/05/19/168350519.db2.gz CHJDDDIKQFVCKB-ZETCQYMHSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO C[C@@H](CO)[NH+]1CCCC1 34925162 168350637 /nfs/dbraw/zinc/35/06/37/168350637.db2.gz OIINYTXPBGXEEH-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 ACAARO C[C@@H](CO)[NH2+]CC1CCC1 83838380 168350853 /nfs/dbraw/zinc/35/08/53/168350853.db2.gz JQWURHQWUTWQOF-ZETCQYMHSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[C@@H](CO)[N@@H+]1Cc2cccc(N)c2C1 11730935 168351453 /nfs/dbraw/zinc/35/14/53/168351453.db2.gz HZDIFBMUSWOJHD-QMMMGPOBSA-N 1 0 192.262 0.965 50 0 in-vitro ACAARO C[C@@H](CO)[NH2+]C1CCSCC1 35652053 168351494 /nfs/dbraw/zinc/35/14/94/168351494.db2.gz ZSTPCSRGJVKEJN-ZETCQYMHSA-N 1 0 175.297 0.852 50 0 ACAARO C[C@@H](CO)c1ncc[nH]1 113999583 168352254 /nfs/dbraw/zinc/35/22/54/168352254.db2.gz PRQKWQBYKJQGJS-YFKPBYRVSA-N 1 0 126.159 0.506 50 0 ACAARO C[C@@H](CO)[C@H]1CCCC[NH2+]1 104603345 168352358 /nfs/dbraw/zinc/35/23/58/168352358.db2.gz PBSQWFYZTKKZRE-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@@H](CO)n1ccnc1 5115844 168352807 /nfs/dbraw/zinc/35/28/07/168352807.db2.gz ZEMKCDHZMTZUKJ-LURJTMIESA-N 1 0 126.159 0.436 50 0 ACAARO C[C@@H](CO)[C@@H]1CCCC[NH2+]1 104603333 168353556 /nfs/dbraw/zinc/35/35/56/168353556.db2.gz PBSQWFYZTKKZRE-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@@H](Cc1ccccc1)NC(=O)C[NH3+] 2002596 168353767 /nfs/dbraw/zinc/35/37/67/168353767.db2.gz NPGCSHWHPSDEQA-VIFPVBQESA-N 1 0 192.262 0.693 50 0 ACAARO C[C@@H](F)C[NH3+] 13546580 168355516 /nfs/dbraw/zinc/35/55/16/168355516.db2.gz FCZZMLAMPPXMOZ-GSVOUGTGSA-N 1 0 77.102 0.303 50 0 ACAARO C[C@@H](F)CN1CCC([NH3+])CC1 95642799 168355838 /nfs/dbraw/zinc/35/58/38/168355838.db2.gz RMSWGBVNKLAMJW-SSDOTTSWSA-N 1 0 160.236 0.768 50 0 ACAARO C[C@@H](F)CC[NH3+] 107272625 168356274 /nfs/dbraw/zinc/35/62/74/168356274.db2.gz LMRNCVNWJNBQNO-SCSAIBSYSA-N 1 0 91.129 0.693 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCCC(F)=C(F)F 238405059 168357099 /nfs/dbraw/zinc/35/70/99/168357099.db2.gz QPDKGXSGVIIPIE-SCSAIBSYSA-N 1 0 196.172 0.918 50 0 ACAARO C[C@@H]([NH3+])C(=O)N1Cc2ccccc2C1 50912415 168357294 /nfs/dbraw/zinc/35/72/94/168357294.db2.gz ROGSNODZJLQUKG-MRVPVSSYSA-N 1 0 190.246 0.876 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C 19436295 168357404 /nfs/dbraw/zinc/35/74/04/168357404.db2.gz FZZIMRQDJKXDFD-HTQZYQBOSA-N 1 0 170.256 0.735 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCc1ccco1 19518584 168357611 /nfs/dbraw/zinc/35/76/11/168357611.db2.gz FGGLWQZUOHSTSL-ZCFIWIBFSA-N 1 0 168.196 0.243 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)Nc1cccnc1 19431710 168357739 /nfs/dbraw/zinc/35/77/39/168357739.db2.gz IWGZJAJTQVBWLU-ZCFIWIBFSA-N 1 0 165.196 0.367 50 0 ACAARO C[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1 19426905 168357896 /nfs/dbraw/zinc/35/78/96/168357896.db2.gz JCXUSDZGHZDNSY-SECBINFHSA-N 1 0 192.262 0.992 50 0 ACAARO C[C@@H]([NH3+])C(=O)NCCc1ccccc1 19510128 168357904 /nfs/dbraw/zinc/35/79/04/168357904.db2.gz NEXKSALWCGMYJO-SECBINFHSA-N 1 0 192.262 0.693 50 0 ACAARO C[C@@H]([NH3+])C(=O)NC(C)(C)C 19474140 168358099 /nfs/dbraw/zinc/35/80/99/168358099.db2.gz GFAYBPQOURTWMC-RXMQYKEDSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)C(F)(F)F 20285513 168358281 /nfs/dbraw/zinc/35/82/81/168358281.db2.gz XDSRRWBHHSHTGP-UWTATZPHSA-N 1 0 141.092 0.465 50 0 ACAARO C[C@@H]([NH3+])C(=O)N1CCc2ccccc21 15861529 168358310 /nfs/dbraw/zinc/35/83/10/168358310.db2.gz XZHRLYUEEHDTFI-MRVPVSSYSA-N 1 0 190.246 0.923 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NC1CCCC1 19515397 168358377 /nfs/dbraw/zinc/35/83/77/168358377.db2.gz FKQVZJBUPCYIJN-ZCFIWIBFSA-N 1 0 156.229 0.392 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)Nc1ccccc1 1733289 168358394 /nfs/dbraw/zinc/35/83/94/168358394.db2.gz RUBYQYMLYZMHQR-SSDOTTSWSA-N 1 0 164.208 0.972 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCC(F)(F)F 19426013 168358400 /nfs/dbraw/zinc/35/84/00/168358400.db2.gz HUMQBXRKDQYSTI-GSVOUGTGSA-N 1 0 170.134 0.012 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)N1CCCCC1 112499 168358408 /nfs/dbraw/zinc/35/84/08/168358408.db2.gz WHBVSWNJAJECCU-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCc1ccccc1 13551866 168358419 /nfs/dbraw/zinc/35/84/19/168358419.db2.gz VRHPVAHXPQMOJZ-MRVPVSSYSA-N 1 0 178.235 0.650 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCc1ccncc1 21802157 168358540 /nfs/dbraw/zinc/35/85/40/168358540.db2.gz DIZWEGZYRKINND-SSDOTTSWSA-N 1 0 179.223 0.045 50 0 ACAARO C[C@@H]([NH3+])C(=O)NCc1ccccn1 19471846 168358684 /nfs/dbraw/zinc/35/86/84/168358684.db2.gz IKOUXGMVYDTHPG-SSDOTTSWSA-N 1 0 179.223 0.045 50 0 ACAARO C[C@@H]([NH3+])C(=O)NC1CCCCC1 19509515 168358940 /nfs/dbraw/zinc/35/89/40/168358940.db2.gz MPBMXQCKDZECDT-SSDOTTSWSA-N 1 0 170.256 0.783 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)NCc1cccnc1 21808532 168358991 /nfs/dbraw/zinc/35/89/91/168358991.db2.gz IKIVQZDQGMUJMN-SSDOTTSWSA-N 1 0 179.223 0.045 50 0 ACAARO C[C@@H]([NH3+])C(=O)N1CCCCCC1 19431021 168359389 /nfs/dbraw/zinc/35/93/89/168359389.db2.gz QNKQFRBECOXXNJ-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO C[C@@H]([NH3+])C1CC1 2525582 168360099 /nfs/dbraw/zinc/36/00/99/168360099.db2.gz IXCXVGWKYIDNOS-SCSAIBSYSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(C)(F)F 107257928 168360105 /nfs/dbraw/zinc/36/01/05/168360105.db2.gz CSENXKZAOYXNPN-GSVOUGTGSA-N 1 0 109.119 0.989 50 0 in-vitro ACAARO C[C@@H]([NH3+])C1(C)OCCO1 82164065 168360189 /nfs/dbraw/zinc/36/01/89/168360189.db2.gz IXDJNJHGOQUYCG-RXMQYKEDSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO C[C@@H]([NH3+])C1(C)COCOC1 85392144 168360191 /nfs/dbraw/zinc/36/01/91/168360191.db2.gz GSIGUICFQYCWKZ-ZCFIWIBFSA-N 1 0 145.202 0.344 50 0 ACAARO C[C@@H]([NH3+])C1CCOCC1 66054995 168360600 /nfs/dbraw/zinc/36/06/00/168360600.db2.gz WMPAKQDIADKRAQ-ZCFIWIBFSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(C)(C)O 1673158 168360902 /nfs/dbraw/zinc/36/09/02/168360902.db2.gz OVKDLPZRDQTOJW-SCSAIBSYSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 71373482 168360931 /nfs/dbraw/zinc/36/09/31/168360931.db2.gz ATFSZHZPWJAUHO-SNVBAGLBSA-N 1 0 198.310 0.979 50 0 in-vitro ACAARO C[C@@H]([NH3+])CC1OCCO1 49804428 168361065 /nfs/dbraw/zinc/36/10/65/168361065.db2.gz IDEMIZWMUVOQEV-RXMQYKEDSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO C[C@@H]([NH3+])CC(C)(C)O 39244670 168361103 /nfs/dbraw/zinc/36/11/03/168361103.db2.gz LYLPRVUTJGLNPP-RXMQYKEDSA-N 1 0 117.192 0.495 50 0 ACAARO C[C@@H]([NH3+])C(F)F 68577597 168361173 /nfs/dbraw/zinc/36/11/73/168361173.db2.gz SKKXZAXLYWERGC-UWTATZPHSA-N 1 0 95.092 0.599 50 0 in-vitro ACAARO C[C@@H]([NH3+])C(=O)c1cccc(O)c1 82403594 168361214 /nfs/dbraw/zinc/36/12/14/168361214.db2.gz OIHAQYRJHHWTGP-ZCFIWIBFSA-N 1 0 165.192 0.922 50 0 ACAARO C[C@@H]([NH3+])CCN1CCOCC1 12383411 168361475 /nfs/dbraw/zinc/36/14/75/168361475.db2.gz GWAZLPJZKQFTRM-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO C[C@@H]([NH3+])CF 26480889 168361950 /nfs/dbraw/zinc/36/19/50/168361950.db2.gz IRQOJWDMOUIHNR-GSVOUGTGSA-N 1 0 77.102 0.303 50 0 in-vitro ACAARO C[C@@H]([NH3+])CCCO 1587835 168362414 /nfs/dbraw/zinc/36/24/14/168362414.db2.gz JAXJUENAJXWFBX-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO C[C@@H]([NH3+])CC[S@@](C)=O 71790286 168362419 /nfs/dbraw/zinc/36/24/19/168362419.db2.gz MFWOBUUJNZADED-XRGYYRRGSA-N 1 0 135.232 0.102 50 0 ACAARO C[C@@H]([NH3+])CN1CCOC[C@H]1C 35775374 168362660 /nfs/dbraw/zinc/36/26/60/168362660.db2.gz WNGYSVZNVNLSJP-HTQZYQBOSA-N 1 0 158.245 0.054 50 0 ACAARO C[C@@H]([NH3+])CCN1CCCC1=O 62152099 168362749 /nfs/dbraw/zinc/36/27/49/168362749.db2.gz RRGXHOSTEPTSLP-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO C[C@@H]([NH3+])CN1CCCCC1 19358818 168362795 /nfs/dbraw/zinc/36/27/95/168362795.db2.gz ZFDABCDCTKLGOK-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO C[C@@H]([NH3+])CCCCO 39284930 168363041 /nfs/dbraw/zinc/36/30/41/168363041.db2.gz OLHAHFKZASPGCF-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 ACAARO C[C@@H]([NH3+])CNC(=O)OC(C)(C)C 35287405 168363236 /nfs/dbraw/zinc/36/32/36/168363236.db2.gz UYNSYFDLTSSUNI-ZCFIWIBFSA-N 1 0 174.244 0.858 50 0 in-vitro ACAARO C[C@@H]([NH3+])CCn1cccn1 19088486 168363318 /nfs/dbraw/zinc/36/33/18/168363318.db2.gz IWZKYTFDBARHKM-SSDOTTSWSA-N 1 0 139.202 0.620 50 0 in-vitro ACAARO C[C@@H]([NH3+])CC[S@](C)=O 71790284 168363367 /nfs/dbraw/zinc/36/33/67/168363367.db2.gz MFWOBUUJNZADED-SVGQVSJJSA-N 1 0 135.232 0.102 50 0 ACAARO C[C@@H]([NH3+])CCn1cncn1 20429226 168363424 /nfs/dbraw/zinc/36/34/24/168363424.db2.gz ODGGHRYHUQOMIE-ZCFIWIBFSA-N 1 0 140.190 0.015 50 0 in-vitro ACAARO C[C@@H]([NH3+])CO[C@@H]1CCOC1 74923640 168363886 /nfs/dbraw/zinc/36/38/86/168363886.db2.gz XYMTXWOHZOBDGQ-RNFRBKRXSA-N 1 0 145.202 0.139 50 0 in-vitro ACAARO C[C@@H]([NH3+])COC[C@H]1CCCO1 6678404 168363947 /nfs/dbraw/zinc/36/39/47/168363947.db2.gz LLSWRLZOQCLMJS-HTQZYQBOSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@@H]([NH3+])C[C@@H]1CCCO1 37466620 168363990 /nfs/dbraw/zinc/36/39/90/168363990.db2.gz ZBYJKUGXJVDDGE-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@@H]([NH3+])COCC1CC1 20263883 168364061 /nfs/dbraw/zinc/36/40/61/168364061.db2.gz FNXWTKFVVBBDMH-ZCFIWIBFSA-N 1 0 129.203 0.760 50 0 ACAARO C[C@@H]([NH3+])Cc1cc[nH]c1 26663626 168364081 /nfs/dbraw/zinc/36/40/81/168364081.db2.gz XMTHAWZPEGHZPK-ZCFIWIBFSA-N 1 0 124.187 0.904 50 0 ACAARO C[C@@H]([NH3+])Cc1cccnc1 7277178 168364125 /nfs/dbraw/zinc/36/41/25/168364125.db2.gz PUEWSNLDTZQXLN-SSDOTTSWSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1cc[nH]n1 41053031 168364195 /nfs/dbraw/zinc/36/41/95/168364195.db2.gz KCYGESYSBXWUJF-RXMQYKEDSA-N 1 0 125.175 0.299 50 0 ACAARO C[C@@H]([NH3+])COCC(F)(F)F 22562638 168364239 /nfs/dbraw/zinc/36/42/39/168364239.db2.gz MIBKGSONRCOKNX-SCSAIBSYSA-N 1 0 157.135 0.913 50 0 in-vitro ACAARO C[C@@H]([NH3+])C[C@H]1CCOC1 44461676 168364246 /nfs/dbraw/zinc/36/42/46/168364246.db2.gz WLKLSUSLRNERQN-RNFRBKRXSA-N 1 0 129.203 0.760 50 0 ACAARO C[C@@H]([NH3+])Cc1ccnn1C 72339740 168364326 /nfs/dbraw/zinc/36/43/26/168364326.db2.gz WSEPNFHKQUELMV-ZCFIWIBFSA-N 1 0 139.202 0.310 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1cccn1C 20520742 168364482 /nfs/dbraw/zinc/36/44/82/168364482.db2.gz MTLXTAIUWACVSW-SSDOTTSWSA-N 1 0 138.214 0.915 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1ccc(O)cc1O 19266590 168364491 /nfs/dbraw/zinc/36/44/91/168364491.db2.gz ZMGCGQOEKJYTNS-ZCFIWIBFSA-N 1 0 167.208 0.988 50 0 ACAARO C[C@@H]([NH3+])C[C@@H](C)O 75517376 168364526 /nfs/dbraw/zinc/36/45/26/168364526.db2.gz RTFVYTOTESLFBG-RFZPGFLSSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@@H]([NH3+])C[C@@H]1CCOC1 44461674 168364668 /nfs/dbraw/zinc/36/46/68/168364668.db2.gz WLKLSUSLRNERQN-RQJHMYQMSA-N 1 0 129.203 0.760 50 0 ACAARO C[C@@H]([NH3+])Cc1ccncc1 11570830 168364834 /nfs/dbraw/zinc/36/48/34/168364834.db2.gz SCMJZBZLSWJQJO-SSDOTTSWSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO C[C@@H]([NH3+])CO[C@H]1CCOC1 74923646 168364846 /nfs/dbraw/zinc/36/48/46/168364846.db2.gz XYMTXWOHZOBDGQ-RQJHMYQMSA-N 1 0 145.202 0.139 50 0 in-vitro ACAARO C[C@@H]([NH3+])COC[C@@H]1CCCO1 6678397 168364858 /nfs/dbraw/zinc/36/48/58/168364858.db2.gz LLSWRLZOQCLMJS-SFYZADRCSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@@H]([NH3+])Cc1ccccn1 11570828 168364947 /nfs/dbraw/zinc/36/49/47/168364947.db2.gz OKWKKGILOAMUGL-SSDOTTSWSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO C[C@@H]([NH3+])C[C@H]1CCCO1 37466624 168365002 /nfs/dbraw/zinc/36/50/02/168365002.db2.gz ZBYJKUGXJVDDGE-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](O)C(F)(F)F 20281097 168365784 /nfs/dbraw/zinc/36/57/84/168365784.db2.gz PJGFUIQQJUBRHI-PWNYCUMCSA-N 1 0 143.108 0.257 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1cnccn1 12351289 168365909 /nfs/dbraw/zinc/36/59/09/168365909.db2.gz NUCGDQSFJGMQQA-ZCFIWIBFSA-N 1 0 137.186 0.366 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1nccn1C 20445982 168365926 /nfs/dbraw/zinc/36/59/26/168365926.db2.gz ISORIIDIGILCPX-ZCFIWIBFSA-N 1 0 139.202 0.310 50 0 ACAARO C[C@@H]([NH3+])[C@@H](C)N1CCOCC1 41053710 168366382 /nfs/dbraw/zinc/36/63/82/168366382.db2.gz GUSHEMUDDUPEBZ-HTQZYQBOSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](O)c1cccc(O)c1 18079 168366421 /nfs/dbraw/zinc/36/64/21/168366421.db2.gz WXFIGDLSSYIKKV-HZGVNTEJSA-N 1 0 167.208 0.773 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cc1cnn(C)c1 20074847 168366458 /nfs/dbraw/zinc/36/64/58/168366458.db2.gz UECWYYHRNMAMOT-ZCFIWIBFSA-N 1 0 139.202 0.310 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](O)c1ccccc1O 1843801 168366640 /nfs/dbraw/zinc/36/66/40/168366640.db2.gz DNGMWKBHVLBBML-HZGVNTEJSA-N 1 0 167.208 0.773 50 0 ACAARO C[C@@H]([NH3+])Cn1c(=O)oc2ccccc21 19267694 168366665 /nfs/dbraw/zinc/36/66/65/168366665.db2.gz VVJNUGXBLLOXAG-SSDOTTSWSA-N 1 0 192.218 0.942 50 0 ACAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(O)cc1 154803 168366720 /nfs/dbraw/zinc/36/67/20/168366720.db2.gz JAYBQRKXEFDRER-HZGVNTEJSA-N 1 0 167.208 0.773 50 0 biogenic,world ACAARO C[C@@H]([NH3+])Cc1c[nH]cn1 3872814 168366779 /nfs/dbraw/zinc/36/67/79/168366779.db2.gz XNQIOISZPFVUFG-RXMQYKEDSA-N 1 0 125.175 0.299 50 0 world ACAARO C[C@@H]([NH3+])[C@@H](O)c1ccncc1 20216900 168366840 /nfs/dbraw/zinc/36/68/40/168366840.db2.gz FRUSHMPMFGULNL-HTRCEHHLSA-N 1 0 152.197 0.462 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](C)n1cncn1 41053903 168366893 /nfs/dbraw/zinc/36/68/93/168366893.db2.gz YYLBLMYFEQNWIL-PHDIDXHHSA-N 1 0 140.190 0.186 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](C)n1cccn1 11848807 168366920 /nfs/dbraw/zinc/36/69/20/168366920.db2.gz JUJSJFUYRXZKCK-RNFRBKRXSA-N 1 0 139.202 0.791 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H](O)Cc1ccccc1 34467473 168367080 /nfs/dbraw/zinc/36/70/80/168367080.db2.gz IQLWJEQETTYONH-SCZZXKLOSA-N 1 0 165.236 0.937 50 0 in-vitro ACAARO C[C@@H]([NH3+])Cn1ccnc1 4343491 168367122 /nfs/dbraw/zinc/36/71/22/168367122.db2.gz DFKZNFOZJHOROX-ZCFIWIBFSA-N 1 0 125.175 0.230 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H]1CCCCO1 95218354 168367143 /nfs/dbraw/zinc/36/71/43/168367143.db2.gz ZAZPZBYFJCQFDP-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H](O)C(F)(F)F 20281105 168367475 /nfs/dbraw/zinc/36/74/75/168367475.db2.gz PJGFUIQQJUBRHI-GBXIJSLDSA-N 1 0 143.108 0.257 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H](O)c1ccncc1 20216902 168367512 /nfs/dbraw/zinc/36/75/12/168367512.db2.gz FRUSHMPMFGULNL-SVRRBLITSA-N 1 0 152.197 0.462 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H]1CC1(F)F 299805269 168367622 /nfs/dbraw/zinc/36/76/22/168367622.db2.gz GPYXLJTYTVJBQZ-QWWZWVQMSA-N 1 0 121.130 0.989 50 0 ACAARO C[C@@H]([NH3+])[C@H]1CCOC1 71372662 168367737 /nfs/dbraw/zinc/36/77/37/168367737.db2.gz JCIAQQOICXUMNX-RITPCOANSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H]1CCCO1 43422326 168367947 /nfs/dbraw/zinc/36/79/47/168367947.db2.gz WRDLTPMUGXTIAM-PHDIDXHHSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H]1CCCCO1 95218357 168368351 /nfs/dbraw/zinc/36/83/51/168368351.db2.gz ZAZPZBYFJCQFDP-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H](O)Cc1ccccc1 34467469 168368401 /nfs/dbraw/zinc/36/84/01/168368401.db2.gz IQLWJEQETTYONH-PSASIEDQSA-N 1 0 165.236 0.937 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H]1CCCOC1 82411116 168368414 /nfs/dbraw/zinc/36/84/14/168368414.db2.gz VDAAJZJRNPGVNB-RQJHMYQMSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H]1CCOC1 71372659 168368541 /nfs/dbraw/zinc/36/85/41/168368541.db2.gz JCIAQQOICXUMNX-PHDIDXHHSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H](O)c1cccc(O)c1 1678600 168368571 /nfs/dbraw/zinc/36/85/71/168368571.db2.gz WXFIGDLSSYIKKV-MUWHJKNJSA-N 1 0 167.208 0.773 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@@H]1CCCO1 43422324 168368653 /nfs/dbraw/zinc/36/86/53/168368653.db2.gz WRDLTPMUGXTIAM-RITPCOANSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@@H]([NH3+])[C@H](O)c1ccccc1O 1843803 168368990 /nfs/dbraw/zinc/36/89/90/168368990.db2.gz DNGMWKBHVLBBML-MUWHJKNJSA-N 1 0 167.208 0.773 50 0 ACAARO C[C@@H]([NH3+])[C@@H]1CCCOC1 82411114 168369015 /nfs/dbraw/zinc/36/90/15/168369015.db2.gz VDAAJZJRNPGVNB-RNFRBKRXSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccc(=O)[nH]c1 72225659 168369819 /nfs/dbraw/zinc/36/98/19/168369819.db2.gz MYLBRKFTWPKTNN-RXMQYKEDSA-N 1 0 138.170 0.807 50 0 ACAARO C[C@@H]([NH3+])c1c[nH]cn1 39132792 168370092 /nfs/dbraw/zinc/37/00/92/168370092.db2.gz ZHELUGTZRQNNNL-SCSAIBSYSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cc(=O)[nH][nH]1 82411322 168370201 /nfs/dbraw/zinc/37/02/01/168370201.db2.gz WIMQLASIBZZYEZ-GSVOUGTGSA-N 1 0 127.147 0.135 50 0 ACAARO C[C@@H]([NH3+])c1ccc(OCC(N)=O)cc1 19262224 168370243 /nfs/dbraw/zinc/37/02/43/168370243.db2.gz XWPBWRIDGFUYLO-SSDOTTSWSA-N 1 0 194.234 0.570 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccc(C(N)=O)cc1 19722421 168370579 /nfs/dbraw/zinc/37/05/79/168370579.db2.gz PXJMJWOLRCACSF-ZCFIWIBFSA-N 1 0 164.208 0.805 50 0 ACAARO C[C@@H]([NH3+])c1cc[nH]n1 12481564 168370594 /nfs/dbraw/zinc/37/05/94/168370594.db2.gz IVZCHEJTIUBJPM-SCSAIBSYSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 19842596 168370734 /nfs/dbraw/zinc/37/07/34/168370734.db2.gz TVMDKCSLHDNETL-RXMQYKEDSA-N 1 0 177.207 0.876 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cc[nH]c(=O)c1 82707540 168370816 /nfs/dbraw/zinc/37/08/16/168370816.db2.gz MPKNKUUNOHHNJJ-RXMQYKEDSA-N 1 0 138.170 0.395 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccncn1 19093485 168371275 /nfs/dbraw/zinc/37/12/75/168371275.db2.gz OCZUDXKITNRVEH-RXMQYKEDSA-N 1 0 123.159 0.496 50 0 ACAARO C[C@@H]([NH3+])c1cn2ncsc2n1 19091535 168371334 /nfs/dbraw/zinc/37/13/34/168371334.db2.gz BWBUVWWRFYETLI-SCSAIBSYSA-N 1 0 168.225 0.811 50 0 ACAARO C[C@@H]([NH3+])c1cnn(C)c1 11920336 168371430 /nfs/dbraw/zinc/37/14/30/168371430.db2.gz KIPVVJYELYMMQA-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccn(C)n1 4519994 168371547 /nfs/dbraw/zinc/37/15/47/168371547.db2.gz IZJQTFALMLLZQJ-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cncnc1 20441648 168371572 /nfs/dbraw/zinc/37/15/72/168371572.db2.gz GWCPZMRPJBYIFM-RXMQYKEDSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cocn1 20417898 168371590 /nfs/dbraw/zinc/37/15/90/168371590.db2.gz MFAOMQZXGBUBMZ-SCSAIBSYSA-N 1 0 112.132 0.694 50 0 ACAARO C[C@@H]([NH3+])c1cn[nH]c1 54741684 168371658 /nfs/dbraw/zinc/37/16/58/168371658.db2.gz RPDQDVLOUJVEEX-SCSAIBSYSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cn(C)cn1 82411446 168371790 /nfs/dbraw/zinc/37/17/90/168371790.db2.gz ICKXLSHRBIKQFM-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 ACAARO C[C@@H]([NH3+])c1ccno1 20417858 168371998 /nfs/dbraw/zinc/37/19/98/168371998.db2.gz NEUUDZFNGAFNIO-SCSAIBSYSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cnco1 20417893 168372221 /nfs/dbraw/zinc/37/22/21/168372221.db2.gz GOADWLCEMFNDHJ-SCSAIBSYSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccon1 4299073 168372690 /nfs/dbraw/zinc/37/26/90/168372690.db2.gz UDFNSNRUEHXXNW-SCSAIBSYSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccnnc1 83591682 168373020 /nfs/dbraw/zinc/37/30/20/168373020.db2.gz KUXWBGLSIGPVNA-RXMQYKEDSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1cnccn1 37467083 168373125 /nfs/dbraw/zinc/37/31/25/168373125.db2.gz IIGXIHLJMZQHJY-RXMQYKEDSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ccnn1C 12394146 168373224 /nfs/dbraw/zinc/37/32/24/168373224.db2.gz RRQYXOXCBVYWMU-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 ACAARO C[C@@H]([NH3+])c1cncn1C 82835903 168373249 /nfs/dbraw/zinc/37/32/49/168373249.db2.gz ARKPMOZBRKFUHB-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 ACAARO C[C@@H]([NH3+])c1nnnn1-c1ccccc1 62494105 168373431 /nfs/dbraw/zinc/37/34/31/168373431.db2.gz BUPTXQPXEKDURQ-SSDOTTSWSA-N 1 0 189.222 0.682 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nnnn1C1CC1 62494634 168373694 /nfs/dbraw/zinc/37/36/94/168373694.db2.gz NRZCYFRZFCBZDX-SCSAIBSYSA-N 1 0 153.189 0.028 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ncccn1 20441616 168374477 /nfs/dbraw/zinc/37/44/77/168374477.db2.gz GVPDKCZQAZOFJX-RXMQYKEDSA-N 1 0 123.159 0.496 50 0 ACAARO C[C@@H]([NH3+])c1nnc(N)s1 42384387 168374741 /nfs/dbraw/zinc/37/47/41/168374741.db2.gz GSVLRMMVNXHIMU-UWTATZPHSA-N 1 0 144.203 0.140 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ncon1 26461239 168374790 /nfs/dbraw/zinc/37/47/90/168374790.db2.gz LFSXUCZAZSQBPW-GSVOUGTGSA-N 1 0 113.120 0.089 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nccn1C 11848549 168374963 /nfs/dbraw/zinc/37/49/63/168374963.db2.gz ADIMIJGUVBPQPB-RXMQYKEDSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO C[C@@H](N1CC[NH2+]CC1)C(F)(F)F 72302885 168375064 /nfs/dbraw/zinc/37/50/64/168375064.db2.gz WCRXTGORRIAFDQ-ZCFIWIBFSA-N 1 0 182.189 0.842 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nnc2n1CCCC2 78210805 168375105 /nfs/dbraw/zinc/37/51/05/168375105.db2.gz UZBROTQFSPKCTC-ZCFIWIBFSA-N 1 0 166.228 0.634 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nnc2ncccn12 36827926 168375261 /nfs/dbraw/zinc/37/52/61/168375261.db2.gz PJGHWNLFALHMCN-RXMQYKEDSA-N 1 0 163.184 0.144 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nnc2n1CCC2 12505500 168375354 /nfs/dbraw/zinc/37/53/54/168375354.db2.gz XUTYRPGBNPZBEP-RXMQYKEDSA-N 1 0 152.201 0.244 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ncc(F)cn1 95635239 168375449 /nfs/dbraw/zinc/37/54/49/168375449.db2.gz AHCHUPFJXHQIRC-SCSAIBSYSA-N 1 0 141.149 0.635 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1ncc[nH]1 35255572 168375620 /nfs/dbraw/zinc/37/56/20/168375620.db2.gz IIRFPANPYNPFMC-SCSAIBSYSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[C@@H]([NH3+])c1nccc(N)n1 70628867 168375753 /nfs/dbraw/zinc/37/57/53/168375753.db2.gz KOYLGWGAZNKTMG-SCSAIBSYSA-N 1 0 138.174 0.079 50 0 ACAARO C[C@@H]([NH3+])c1nnc2ccccn12 7715368 168375759 /nfs/dbraw/zinc/37/57/59/168375759.db2.gz FQWYAIRHWCMQNP-ZCFIWIBFSA-N 1 0 162.196 0.749 50 0 in-vitro ACAARO C[C@@H](NC(=O)OC(C)(C)C)C(N)=[NH2+] 58681114 168376270 /nfs/dbraw/zinc/37/62/70/168376270.db2.gz SBWMAYUOZBBXIS-RXMQYKEDSA-N 1 0 187.243 0.836 50 0 ACAARO C[C@@H](NC(=O)C[NH3+])c1ccccn1 35695001 168376451 /nfs/dbraw/zinc/37/64/51/168376451.db2.gz GEASRHSCIVTSMS-SSDOTTSWSA-N 1 0 179.223 0.218 50 0 ACAARO C[C@@H](NC(=O)C[NH3+])c1ccccc1 19513875 168376522 /nfs/dbraw/zinc/37/65/22/168376522.db2.gz ISKASNLUPTVDNL-MRVPVSSYSA-N 1 0 178.235 0.823 50 0 ACAARO C[C@@H]([NH2+]CCO)[C@@H](O)c1ccccc1 1615764 168380404 /nfs/dbraw/zinc/38/04/04/168380404.db2.gz WDGSTBTXYPCSLW-MWLCHTKSSA-N 1 0 195.262 0.690 50 0 in-vitro ACAARO C[C@@H](NCC[NH3+])c1ccco1 22032731 168380974 /nfs/dbraw/zinc/38/09/74/168380974.db2.gz TWZNTMNSIZCMKH-SSDOTTSWSA-N 1 0 154.213 0.889 50 0 ACAARO C[C@@H]([NH2+]CC(N)=O)c1ccccc1 21961950 168381373 /nfs/dbraw/zinc/38/13/73/168381373.db2.gz WDZWHHQRUDMNPR-MRVPVSSYSA-N 1 0 178.235 0.823 50 0 in-vitro ACAARO C[C@@H]([NH2+]CCO)[C@H](O)c1ccccc1 1615762 168382470 /nfs/dbraw/zinc/38/24/70/168382470.db2.gz WDGSTBTXYPCSLW-KOLCDFICSA-N 1 0 195.262 0.690 50 0 in-vitro ACAARO C[C@@H](O)C(C)(C)[NH3+] 39598835 168386782 /nfs/dbraw/zinc/38/67/82/168386782.db2.gz RICKMFQXMYMBNY-SCSAIBSYSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@@H](O)C(C)(C)C[NH3+] 82631333 168386984 /nfs/dbraw/zinc/38/69/84/168386984.db2.gz JFRFVXRCBRHLBX-RXMQYKEDSA-N 1 0 117.192 0.352 50 0 ACAARO C[C@@H](O)/C=C/c1cccc[n+]1C 161855 168387664 /nfs/dbraw/zinc/38/76/64/168387664.db2.gz RIOHGMTWCGKJAR-XCODYQFDSA-N 1 0 164.228 0.905 50 0 ACAARO C[C@@H](O)CC(C)(C)[NH3+] 2045075 168388992 /nfs/dbraw/zinc/38/89/92/168388992.db2.gz GZTKJFBKAZBXIB-RXMQYKEDSA-N 1 0 117.192 0.495 50 0 ACAARO C[C@@H](O)CCC[NH3+] 19674933 168389061 /nfs/dbraw/zinc/38/90/61/168389061.db2.gz VJGRDSFPHUTBBE-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO C[C@@H](O)CC[NH+](C)C 44122592 168389286 /nfs/dbraw/zinc/38/92/86/168389286.db2.gz IXAXPXLEJPTDGO-ZCFIWIBFSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[C@@H](O)CC[NH+]1CCCC1 44115360 168389513 /nfs/dbraw/zinc/38/95/13/168389513.db2.gz SHIIWUKLJUSVHG-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 ACAARO C[C@@H](O)CC[NH+]1CCOCC1 34318742 168389540 /nfs/dbraw/zinc/38/95/40/168389540.db2.gz RHBZAIRQNOBTNS-MRVPVSSYSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO C[C@@H](O)C1CCN(CC[NH3+])CC1 98095822 168389686 /nfs/dbraw/zinc/38/96/86/168389686.db2.gz HQRYTUXOOOAIMO-MRVPVSSYSA-N 1 0 172.272 0.038 50 0 ACAARO C[C@@H](O)C1CC[NH+](C)CC1 35598597 168389715 /nfs/dbraw/zinc/38/97/15/168389715.db2.gz HLAGCVGLYKTXMD-SSDOTTSWSA-N 1 0 143.230 0.709 50 0 in-vitro ACAARO C[C@@H](O)CC1CC[NH2+]CC1 39340850 168389942 /nfs/dbraw/zinc/38/99/42/168389942.db2.gz GHQBJLLYEHMIQT-SSDOTTSWSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@@H](O)CC(C)(C)C[NH3+] 40544567 168390003 /nfs/dbraw/zinc/39/00/03/168390003.db2.gz HURLLCJYGATXPR-ZCFIWIBFSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO C[C@@H](O)C1CC[NH2+]CC1 6442841 168390033 /nfs/dbraw/zinc/39/00/33/168390033.db2.gz NDJKRLGXVKYIGQ-ZCFIWIBFSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@@H](O)CC[NH2+]Cc1cnn(C)c1 78781738 168390072 /nfs/dbraw/zinc/39/00/72/168390072.db2.gz BMZSHCJGZXDYHY-MRVPVSSYSA-N 1 0 183.255 0.281 50 0 ACAARO C[C@@H](O)CCC[NH+](C)C 45619209 168390078 /nfs/dbraw/zinc/39/00/78/168390078.db2.gz RMZCZIIPRKFFPZ-SSDOTTSWSA-N 1 0 131.219 0.709 50 0 in-vitro ACAARO C[C@@H](O)C[NH+]1CCCC1 394010 168390991 /nfs/dbraw/zinc/39/09/91/168390991.db2.gz BPYANEJZLUMJNA-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO C[C@@H](O)C[NH+]1CCCCC1 154441 168391519 /nfs/dbraw/zinc/39/15/19/168391519.db2.gz UCASFSAKVJTSET-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@@H](O)C[NH2+]C1CCCC1 31688152 168393105 /nfs/dbraw/zinc/39/31/05/168393105.db2.gz XKAQGCQFXBFNLI-SSDOTTSWSA-N 1 0 143.230 0.899 50 0 ACAARO C[C@@H](O)C[N@@H+]1CCO[C@H](C)C1 37693708 168393601 /nfs/dbraw/zinc/39/36/01/168393601.db2.gz VNBLMWVHBZYUMF-HTQZYQBOSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO C[C@@H](O)C[NH2+]C1CC1 32005337 168394488 /nfs/dbraw/zinc/39/44/88/168394488.db2.gz FLBAPNQECBHZCB-RXMQYKEDSA-N 1 0 115.176 0.119 50 0 ACAARO C[C@@H](O)C[C@@H](C)C[NH3+] 68577332 168395403 /nfs/dbraw/zinc/39/54/03/168395403.db2.gz BSJILSAQCDSDCN-PHDIDXHHSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@@H](O)COc1ccccc1C[NH3+] 37698941 168396011 /nfs/dbraw/zinc/39/60/11/168396011.db2.gz NRKBCUWYPHVOOA-MRVPVSSYSA-N 1 0 181.235 0.905 50 0 in-vitro ACAARO C[C@@H](O)C[NH2+]Cc1ccco1 7519385 168396416 /nfs/dbraw/zinc/39/64/16/168396416.db2.gz SKRWCKYQKDQMAN-SSDOTTSWSA-N 1 0 155.197 0.750 50 0 ACAARO C[C@@H](O)C[NH2+]Cc1nccs1 22861959 168396553 /nfs/dbraw/zinc/39/65/53/168396553.db2.gz ZKYIAKPEKJZRFE-ZCFIWIBFSA-N 1 0 172.253 0.614 50 0 ACAARO C[C@@H](O)C[C@H]1CCCC[NH2+]1 14695438 168397165 /nfs/dbraw/zinc/39/71/65/168397165.db2.gz GFKFBLJVPWRDEL-HTQZYQBOSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO C[C@@H](O)C[C@H]1CCC[NH2+]1 14513639 168397376 /nfs/dbraw/zinc/39/73/76/168397376.db2.gz YNOPDCKXNICFQS-RNFRBKRXSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO 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196.294 0.997 50 0 ACAARO C[C@@H]1CCC[C@@](O)(C[NH3+])C1 35278930 168425999 /nfs/dbraw/zinc/42/59/99/168425999.db2.gz HCXBYIHIMJUDJQ-SFYZADRCSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@@H]1CCC[C@H](CCO)[NH2+]1 15781543 168426375 /nfs/dbraw/zinc/42/63/75/168426375.db2.gz RLVLWHOXXDDCNY-HTQZYQBOSA-N 1 0 143.230 0.899 50 0 ACAARO C[C@@H]1CCC[C@H](CO)[NH2+]1 33798841 168426527 /nfs/dbraw/zinc/42/65/27/168426527.db2.gz ZIYHYFOCJMWAQY-RNFRBKRXSA-N 1 0 129.203 0.509 50 0 ACAARO C[C@@H]1CCC[C@](O)(C[NH3+])C1 35278924 168428509 /nfs/dbraw/zinc/42/85/09/168428509.db2.gz HCXBYIHIMJUDJQ-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@@H]1CC[NH2+]C[C@@]1(C)O 248090032 168434265 /nfs/dbraw/zinc/43/42/65/168434265.db2.gz VBGKDRHWHZVXNK-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@@H]1CC[NH2+]CCO1 72319630 168434331 /nfs/dbraw/zinc/43/43/31/168434331.db2.gz OHRBILWMOMYHED-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 ACAARO C[C@@H]1CC[NH2+]C1 6030934 168434337 /nfs/dbraw/zinc/43/43/37/168434337.db2.gz KYINPWAJIVTFBW-RXMQYKEDSA-N 1 0 85.150 0.616 50 0 in-vitro ACAARO C[C@@H]1CC[NH2+]1 20380825 168435444 /nfs/dbraw/zinc/43/54/44/168435444.db2.gz DLBWPRNUXWYLRN-SCSAIBSYSA-N 1 0 71.123 0.368 50 0 ACAARO C[C@@H]1CC[C@@H](CO)C[NH2+]1 72233108 168437117 /nfs/dbraw/zinc/43/71/17/168437117.db2.gz FMYGWFUUVQICDN-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@@H]1CC[C@@H]1[NH3+] 59379233 168439076 /nfs/dbraw/zinc/43/90/76/168439076.db2.gz YYMQZXMSPLVJJN-UHNVWZDZSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[C@@H]1CC[C@H](CO)C[NH2+]1 82164204 168441079 /nfs/dbraw/zinc/44/10/79/168441079.db2.gz FMYGWFUUVQICDN-RQJHMYQMSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@@H]1CC[C@H](CO)[NH2+]C1 104604160 168441104 /nfs/dbraw/zinc/44/11/04/168441104.db2.gz VYCVKOAZOFPRAY-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@@H]1CC[C@H]1[NH3+] 59379237 168441863 /nfs/dbraw/zinc/44/18/63/168441863.db2.gz YYMQZXMSPLVJJN-RFZPGFLSSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[C@@H]1CC[C@H]([NH2+]CCO)C1 70621851 168442210 /nfs/dbraw/zinc/44/22/10/168442210.db2.gz ZZQIOQXHMKWKTB-SFYZADRCSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[C@@H]1CC[C@H](O)[C@H]([NH3+])C1 82411147 168442463 /nfs/dbraw/zinc/44/24/63/168442463.db2.gz YUUPBWOVKNLYIW-QYNIQEEDSA-N 1 0 129.203 0.495 50 0 in-vitro ACAARO C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@@H](C)O1 20071732 168450399 /nfs/dbraw/zinc/45/03/99/168450399.db2.gz PJIJYQDLQDIDLD-GMTAPVOTSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO C[C@@H]1CN(C[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 20071726 168451584 /nfs/dbraw/zinc/45/15/84/168451584.db2.gz PJIJYQDLQDIDLD-MXWKQRLJSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCCC1=O 76571758 168454980 /nfs/dbraw/zinc/45/49/80/168454980.db2.gz ITSNSGVYIGJVRI-ZCFIWIBFSA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C(C)(C)[C@H](O)C1 93403 168455027 /nfs/dbraw/zinc/45/50/27/168455027.db2.gz FRFZTZXIGRVZMF-NKWVEPMBSA-N 1 0 143.230 0.755 50 0 ACAARO C[C@@H]1C[NH2+]CC[C@]1(C)O 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RDEHRKLSYJBKDV-PHDIDXHHSA-N 1 0 99.177 0.862 50 0 in-vitro ACAARO C[C@@H]1C[NH2+][C@@H]1C 44257579 168458170 /nfs/dbraw/zinc/45/81/70/168458170.db2.gz BMVHDBKYVGUEIX-RFZPGFLSSA-N 1 0 85.150 0.614 50 0 ACAARO C[C@@H]1COCCC[NH2+]1 74536053 168460636 /nfs/dbraw/zinc/46/06/36/168460636.db2.gz JXXVNJUPCPLXJI-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[C@@H]1CSC[C@H]1[NH3+] 82411683 168462888 /nfs/dbraw/zinc/46/28/88/168462888.db2.gz KIMYQDGXIBABDJ-RFZPGFLSSA-N 1 0 117.217 0.697 50 0 in-vitro ACAARO C[C@@H]1C[C@@H]([NH3+])CCO1 59622645 168465990 /nfs/dbraw/zinc/46/59/90/168465990.db2.gz QPXXGRHIYAAMDU-RITPCOANSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@@H]1C[C@@H](N2CCCC2)C[NH2+]1 238850674 168466412 /nfs/dbraw/zinc/46/64/12/168466412.db2.gz CMBGIRGMEDANQP-RKDXNWHRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO C[C@@H]1C[C@@H]([NH3+])CO1 88189613 168467463 /nfs/dbraw/zinc/46/74/63/168467463.db2.gz HLAUKISKFSLYFI-RFZPGFLSSA-N 1 0 101.149 0.123 50 0 ACAARO C[C@@H]1C[C@@H]1C[NH3+] 19415200 168468701 /nfs/dbraw/zinc/46/87/01/168468701.db2.gz BRWRRWXQMCPPRZ-RFZPGFLSSA-N 1 0 85.150 0.601 50 0 in-vitro ACAARO C[C@@H]1C[C@@H]1C(N)=[NH2+] 38457919 168469455 /nfs/dbraw/zinc/46/94/55/168469455.db2.gz VHHMCFRLHWLFFD-DMTCNVIQSA-N 1 0 98.149 0.578 50 0 ACAARO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]CC1 20284246 168469479 /nfs/dbraw/zinc/46/94/79/168469479.db2.gz SMLHLXHCIJUNJT-SFYZADRCSA-N 1 0 168.240 0.074 50 0 in-vitro ACAARO C[C@@H]1C[C@H](F)C[NH2+]1 107263023 168473192 /nfs/dbraw/zinc/47/31/92/168473192.db2.gz VDQWBMJIPFGCSK-UHNVWZDZSA-N 1 0 103.140 0.706 50 0 ACAARO C[C@@H]1C[C@H](C[NH3+])[C@@H](C)O1 102135207 168473664 /nfs/dbraw/zinc/47/36/64/168473664.db2.gz ZNIUMSIJAZPAOJ-FSDSQADBSA-N 1 0 129.203 0.759 50 0 in-vitro ACAARO C[C@@H]1C[C@H]([NH3+])CC[C@@H]1O 104584779 168474507 /nfs/dbraw/zinc/47/45/07/168474507.db2.gz GEVHPGXCGOVPDK-QYNIQEEDSA-N 1 0 129.203 0.495 50 0 ACAARO C[C@@H]1C[C@H]([NH3+])CS1 82411685 168474744 /nfs/dbraw/zinc/47/47/44/168474744.db2.gz DEBGAXRZVZMWSF-UHNVWZDZSA-N 1 0 117.217 0.839 50 0 ACAARO C[C@@H]1C[C@](C)([NH3+])CCO1 76572331 168480124 /nfs/dbraw/zinc/48/01/24/168480124.db2.gz BQTOQUPSHAAGQU-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 ACAARO C[C@@H]1[NH2+]CCC[C@H]1CO 84237484 168482315 /nfs/dbraw/zinc/48/23/15/168482315.db2.gz DAAYDZZFCLQTFA-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@@H]1[NH2+]C(C)(C)CO1 32250389 168482901 /nfs/dbraw/zinc/48/29/01/168482901.db2.gz NLUVWKFUEKKXTB-RXMQYKEDSA-N 1 0 115.176 0.731 50 0 ACAARO C[C@@H]1[NH2+]C[C@@H](C)O[C@H]1C 87131603 168483882 /nfs/dbraw/zinc/48/38/82/168483882.db2.gz MJGLVABJZDPYDJ-VQVTYTSYSA-N 1 0 129.203 0.772 50 0 in-vitro ACAARO C[C@@H]1[NH2+]CC[C@H]1N1CCOCC1 205361806 168484142 /nfs/dbraw/zinc/48/41/42/168484142.db2.gz ZEIFKQPBVWHIHZ-DTWKUNHWSA-N 1 0 170.256 0.069 50 0 ACAARO C[C@@H]1[NH2+]C[C@H]1C 44257587 168485421 /nfs/dbraw/zinc/48/54/21/168485421.db2.gz BMVHDBKYVGUEIX-UHNVWZDZSA-N 1 0 85.150 0.614 50 0 ACAARO C[C@@H]1OCC[C@]12C[NH2+]CCO2 98210100 168487172 /nfs/dbraw/zinc/48/71/72/168487172.db2.gz QFQKSHBHJGQPPT-YUMQZZPRSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO C[C@@H]1OCC[C@]1(C)[NH3+] 95218287 168487483 /nfs/dbraw/zinc/48/74/83/168487483.db2.gz AXWLTIYDQWQSEC-WDSKDSINSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@@]([NH3+])(CO)c1ccc(O)cc1 38124559 168495827 /nfs/dbraw/zinc/49/58/27/168495827.db2.gz SGVBDDXPJFOINL-SECBINFHSA-N 1 0 167.208 0.558 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1ccc2c(c1)OCO2 36155137 168498048 /nfs/dbraw/zinc/49/80/48/168498048.db2.gz ATRBKPUNZVAPFX-SNVBAGLBSA-N 1 0 195.218 0.582 50 0 ACAARO C[C@]1([NH3+])CC[C@@H](O)CC1 103537476 168500853 /nfs/dbraw/zinc/50/08/53/168500853.db2.gz KVXJOQDOXLXUSA-KNVOCYPGSA-N 1 0 129.203 0.639 50 0 ACAARO C[C@@]1(O)CC[C@@H]([NH3+])C1 87653679 168502889 /nfs/dbraw/zinc/50/28/89/168502889.db2.gz IYFHJEJEAYGRRF-PHDIDXHHSA-N 1 0 115.176 0.249 50 0 ACAARO C[C@@]1(O)CCC[NH2+]CC1 62716702 168503402 /nfs/dbraw/zinc/50/34/02/168503402.db2.gz NUSFCKJOSCESDP-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO C[C@@]1(O)CC[C@H]([NH3+])C1 87653677 168503805 /nfs/dbraw/zinc/50/38/05/168503805.db2.gz IYFHJEJEAYGRRF-NTSWFWBYSA-N 1 0 115.176 0.249 50 0 ACAARO C[C@@]12CC[C@@H](O1)[C@H]1C[NH2+]C[C@@H]12 3096656 168506488 /nfs/dbraw/zinc/50/64/88/168506488.db2.gz FYLPMLURDDXKQU-MAUMQABQSA-N 1 0 153.225 0.773 50 0 ACAARO C[C@H](CCO)[NH+]1CCCC1 19092468 168525460 /nfs/dbraw/zinc/52/54/60/168525460.db2.gz FKCMGWYAPOCAKE-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@H](CCO)[NH+](C)C 2041891 168526680 /nfs/dbraw/zinc/52/66/80/168526680.db2.gz QTTKJYGPXLCJNF-ZCFIWIBFSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[C@H](C[NH3+])OC[C@H]1CCCO1 14628640 168529927 /nfs/dbraw/zinc/52/99/27/168529927.db2.gz JOSNICIVZRKUDG-HTQZYQBOSA-N 1 0 159.229 0.529 50 0 ACAARO C[C@H](C[NH3+])NC(=O)OC(C)(C)C 35270247 168530736 /nfs/dbraw/zinc/53/07/36/168530736.db2.gz JQXZBJAAOLPTKP-ZCFIWIBFSA-N 1 0 174.244 0.858 50 0 in-vitro ACAARO C[C@H](C[NH3+])Oc1cccnc1 2513186 168532455 /nfs/dbraw/zinc/53/24/55/168532455.db2.gz LYGNMSMUTCMNQF-SSDOTTSWSA-N 1 0 152.197 0.808 50 0 in-vitro ACAARO C[C@H](CO)CC(C)(C)[NH3+] 71790804 168535560 /nfs/dbraw/zinc/53/55/60/168535560.db2.gz AAZVXDOYKPIBRI-LURJTMIESA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO C[C@H](CO)[NH+]1CCCC1 34925163 168535965 /nfs/dbraw/zinc/53/59/65/168535965.db2.gz OIINYTXPBGXEEH-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 ACAARO C[C@H](CS(C)(=O)=O)[NH2+]C1CC1 68590149 168536490 /nfs/dbraw/zinc/53/64/90/168536490.db2.gz AITRKZFZLMGCFA-ZCFIWIBFSA-N 1 0 177.269 0.172 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)NCCc1ccccc1 11957481 168542282 /nfs/dbraw/zinc/54/22/82/168542282.db2.gz NEXKSALWCGMYJO-VIFPVBQESA-N 1 0 192.262 0.693 50 0 in-vitro ACAARO C[C@H]([NH3+])C(C)(C)O 5641336 168543870 /nfs/dbraw/zinc/54/38/70/168543870.db2.gz OVKDLPZRDQTOJW-BYPYZUCNSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)NCc1ccncc1 11805431 168545295 /nfs/dbraw/zinc/54/52/95/168545295.db2.gz DIZWEGZYRKINND-ZETCQYMHSA-N 1 0 179.223 0.045 50 0 ACAARO C[C@H]([NH3+])CC1OCCO1 49804427 168546655 /nfs/dbraw/zinc/54/66/55/168546655.db2.gz IDEMIZWMUVOQEV-YFKPBYRVSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO C[C@H]([NH3+])CN1CCOC[C@@H]1C 101342628 168548477 /nfs/dbraw/zinc/54/84/77/168548477.db2.gz WNGYSVZNVNLSJP-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 ACAARO C[C@H]([NH3+])CC[S@@](C)=O 71790285 168549559 /nfs/dbraw/zinc/54/95/59/168549559.db2.gz MFWOBUUJNZADED-XNCJUZBTSA-N 1 0 135.232 0.102 50 0 ACAARO C[C@H]([NH3+])CCn1cncn1 20429227 168549608 /nfs/dbraw/zinc/54/96/08/168549608.db2.gz ODGGHRYHUQOMIE-LURJTMIESA-N 1 0 140.190 0.015 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1ccccn1 11570829 168551228 /nfs/dbraw/zinc/55/12/28/168551228.db2.gz OKWKKGILOAMUGL-ZETCQYMHSA-N 1 0 136.198 0.971 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H]1C[C@@H]1C 83811134 168551382 /nfs/dbraw/zinc/55/13/82/168551382.db2.gz PNORXWKSUWCACH-HCWXCVPCSA-N 1 0 99.177 0.990 50 0 ACAARO C[C@H]([NH3+])[C@@H]1CCOC1 71372656 168551402 /nfs/dbraw/zinc/55/14/02/168551402.db2.gz JCIAQQOICXUMNX-NTSWFWBYSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](O)c1ccncc1 20216901 168552817 /nfs/dbraw/zinc/55/28/17/168552817.db2.gz FRUSHMPMFGULNL-POYBYMJQSA-N 1 0 152.197 0.462 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H]1CCCCO1 95218356 168553090 /nfs/dbraw/zinc/55/30/90/168553090.db2.gz ZAZPZBYFJCQFDP-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H](O)c1cccc(O)c1 1695 168553225 /nfs/dbraw/zinc/55/32/25/168553225.db2.gz WXFIGDLSSYIKKV-RCOVLWMOSA-N 1 0 167.208 0.773 50 0 world ACAARO C[C@H]([NH3+])[C@H](O)C(F)(F)F 20281109 168553228 /nfs/dbraw/zinc/55/32/28/168553228.db2.gz PJGFUIQQJUBRHI-HRFVKAFMSA-N 1 0 143.108 0.257 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H]1CC1(F)F 299805268 168553518 /nfs/dbraw/zinc/55/35/18/168553518.db2.gz GPYXLJTYTVJBQZ-IUYQGCFVSA-N 1 0 121.130 0.989 50 0 ACAARO C[C@H]([NH3+])[C@H](O)c1ccncc1 20216903 168553640 /nfs/dbraw/zinc/55/36/40/168553640.db2.gz FRUSHMPMFGULNL-XPUUQOCRSA-N 1 0 152.197 0.462 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H](O)c1ccc2c(c1)OCO2 36904308 168553982 /nfs/dbraw/zinc/55/39/82/168553982.db2.gz GGNJMBKLSUPVBI-WKEGUHRASA-N 1 0 195.218 0.796 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ccc(=O)[nH]c1 72225658 168555671 /nfs/dbraw/zinc/55/56/71/168555671.db2.gz MYLBRKFTWPKTNN-YFKPBYRVSA-N 1 0 138.170 0.807 50 0 ACAARO C[C@H]([NH3+])c1ccn(C)n1 2537541 168556320 /nfs/dbraw/zinc/55/63/20/168556320.db2.gz IZJQTFALMLLZQJ-YFKPBYRVSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO C[C@H](O)CC(C)(C)[NH3+] 1566596 168574021 /nfs/dbraw/zinc/57/40/21/168574021.db2.gz GZTKJFBKAZBXIB-YFKPBYRVSA-N 1 0 117.192 0.495 50 0 ACAARO C[C@H](O)C[NH2+]C1CCCC1 5762940 168579545 /nfs/dbraw/zinc/57/95/45/168579545.db2.gz XKAQGCQFXBFNLI-ZETCQYMHSA-N 1 0 143.230 0.899 50 0 ACAARO C[C@H](O)C[C@H]1CCC[NH2+]1 14513642 168581267 /nfs/dbraw/zinc/58/12/67/168581267.db2.gz YNOPDCKXNICFQS-NKWVEPMBSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[C@H](O)C[C@@H](C)[NH3+] 75517384 168581646 /nfs/dbraw/zinc/58/16/46/168581646.db2.gz RTFVYTOTESLFBG-UHNVWZDZSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@H](O)[C@@H]1CCC[NH2+]C1 1706733 168583625 /nfs/dbraw/zinc/58/36/25/168583625.db2.gz DIIJLQSRNWMPCC-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H](O)c1n(C)c(Cl)c[n+]1C 532968 168586133 /nfs/dbraw/zinc/58/61/33/168586133.db2.gz OZAADURTHVCJNH-YFKPBYRVSA-N 1 0 175.639 0.556 50 0 ACAARO C[C@H](OCc1ccccc1)[C@H]([NH3+])CO 12953504 168587812 /nfs/dbraw/zinc/58/78/12/168587812.db2.gz GFXVOWGFPSJLNW-GXSJLCMTSA-N 1 0 195.262 0.911 50 0 ACAARO C[C@H]1C=C[C@H](C)[NH2+]1 2140989 168594157 /nfs/dbraw/zinc/59/41/57/168594157.db2.gz TXQDHQBSNAJSHQ-WDSKDSINSA-N 1 0 97.161 0.923 50 0 in-vitro ACAARO C[C@H]1CC(=O)C[C@@H](C)[NH2+]1 34089703 168594335 /nfs/dbraw/zinc/59/43/35/168594335.db2.gz LVYOYMNCAWSORG-OLQVQODUSA-N 1 0 127.187 0.716 50 0 in-vitro ACAARO C[C@H]1CCCCN1C1C[NH2+]C1 23094052 168598795 /nfs/dbraw/zinc/59/87/95/168598795.db2.gz NIIXLZXTTXFBNJ-QMMMGPOBSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO C[C@H]1CCCC[N@@H+]1CCO 19785890 168599112 /nfs/dbraw/zinc/59/91/12/168599112.db2.gz DUAIISPCCJPFDG-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@H]1CCCC[C@@]1([NH3+])CO 38124444 168600639 /nfs/dbraw/zinc/60/06/39/168600639.db2.gz URNONLWPYLPJGZ-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@H]1CCCN(C(=O)CC[NH3+])C1 22220772 168603493 /nfs/dbraw/zinc/60/34/93/168603493.db2.gz TXTHAPFQRXUSHF-QMMMGPOBSA-N 1 0 170.256 0.594 50 0 ACAARO C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 19410922 168603898 /nfs/dbraw/zinc/60/38/98/168603898.db2.gz FLYQHRPNOYJELE-UWVGGRQHSA-N 1 0 196.294 0.997 50 0 ACAARO C[C@H]1CCCC[C@]1([NH3+])CO 38124442 168603987 /nfs/dbraw/zinc/60/39/87/168603987.db2.gz URNONLWPYLPJGZ-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@H]1CC[C@H](C[NH3+])O1 88141223 168624710 /nfs/dbraw/zinc/62/47/10/168624710.db2.gz QVDZSYSWFHRVRU-NTSWFWBYSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@H]1CC[S@@](=O)CC[NH2+]1 85318099 168627156 /nfs/dbraw/zinc/62/71/56/168627156.db2.gz QPIBDXWIHXCSIZ-RCOVLWMOSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH3+] 74941857 168628947 /nfs/dbraw/zinc/62/89/47/168628947.db2.gz QKXUJCFQMFMUBY-IONNQARKSA-N 1 0 182.267 0.592 50 0 ACAARO C[C@H]1CN(CC[NH3+])[C@H](C)CO1 35783000 168634236 /nfs/dbraw/zinc/63/42/36/168634236.db2.gz QHSYDZMEMUAPCN-SFYZADRCSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@H]1CN(CC[NH3+])[C@@H](C)CO1 216613716 168634956 /nfs/dbraw/zinc/63/49/56/168634956.db2.gz QHSYDZMEMUAPCN-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@H]1CN(C[C@H]2CCC[NH2+]2)C[C@@H](C)O1 20071735 168635969 /nfs/dbraw/zinc/63/59/69/168635969.db2.gz PJIJYQDLQDIDLD-OUAUKWLOSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO C[C@H]1CN2CC(F)(F)C[C@H]2C[NH2+]1 299803946 168637836 /nfs/dbraw/zinc/63/78/36/168637836.db2.gz MQNXWKIQVJCWMJ-BQBZGAKWSA-N 1 0 176.210 0.688 50 0 ACAARO C[C@H]1C[NH2+]CCCO1 20269604 168638588 /nfs/dbraw/zinc/63/85/88/168638588.db2.gz HQKJQSCCAMQSPY-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CC[C@]1(C)O 159703135 168638620 /nfs/dbraw/zinc/63/86/20/168638620.db2.gz HWLFFLCRXODCCY-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H]1C[NH2+]CCN1Cc1nccn1C 54373919 168638818 /nfs/dbraw/zinc/63/88/18/168638818.db2.gz KFGDWJPWEMDVKB-VIFPVBQESA-N 1 0 194.282 0.214 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCC1=O 12650060 168639271 /nfs/dbraw/zinc/63/92/71/168639271.db2.gz KTWRIXHINMYODR-YFKPBYRVSA-N 1 0 113.160 0.185 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CC[C@]1(O)C(F)(F)F 138111991 168639435 /nfs/dbraw/zinc/63/94/35/168639435.db2.gz CIJPNUXVMKKYGX-NTSWFWBYSA-N 1 0 183.173 0.909 50 0 ACAARO C[C@H]1C[NH2+]CCC[C@]1(C)O 248081955 168639900 /nfs/dbraw/zinc/63/99/00/168639900.db2.gz QKUWXLWUGJTCSX-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@H]1C[NH2+]CC2(CCOCC2)O1 83471566 168640110 /nfs/dbraw/zinc/64/01/10/168640110.db2.gz KFEHLGNNRIJKCV-QMMMGPOBSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]1C[NH2+][C@H](C)CO1 20282316 168641416 /nfs/dbraw/zinc/64/14/16/168641416.db2.gz RPSYMAMREDJAES-RITPCOANSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@H]1C[NH2+][C@H](C)C[C@H]1O 13138386 168641705 /nfs/dbraw/zinc/64/17/05/168641705.db2.gz JDAPNCWTYAIVCT-RRKCRQDMSA-N 1 0 129.203 0.365 50 0 ACAARO C[C@H]1C[NH2+][C@H]1C 44257591 168642036 /nfs/dbraw/zinc/64/20/36/168642036.db2.gz BMVHDBKYVGUEIX-WHFBIAKZSA-N 1 0 85.150 0.614 50 0 ACAARO C[C@H]1COCCC[NH2+]1 74536058 168643649 /nfs/dbraw/zinc/64/36/49/168643649.db2.gz JXXVNJUPCPLXJI-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[C@H]1CSCC[NH2+]1 19875247 168646911 /nfs/dbraw/zinc/64/69/11/168646911.db2.gz KZZPRWYOUNLBQK-YFKPBYRVSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO C[C@H]1C[C@@H](C)[NH2+]1 88189672 168649933 /nfs/dbraw/zinc/64/99/33/168649933.db2.gz YPIDADKMTAZBST-SYDPRGILSA-N 1 0 85.150 0.757 50 0 in-vitro ACAARO C[C@H]1C[C@@H]([NH3+])CO1 88189614 168650682 /nfs/dbraw/zinc/65/06/82/168650682.db2.gz HLAUKISKFSLYFI-CRCLSJGQSA-N 1 0 101.149 0.123 50 0 ACAARO C[C@H]1C[C@@H](O)CC[NH2+]1 4593892 168651035 /nfs/dbraw/zinc/65/10/35/168651035.db2.gz DSVHVLZINDRYQA-WDSKDSINSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO C[C@H]1C[C@@H]1C[NH3+] 19415202 168653191 /nfs/dbraw/zinc/65/31/91/168653191.db2.gz BRWRRWXQMCPPRZ-CRCLSJGQSA-N 1 0 85.150 0.601 50 0 in-vitro ACAARO C[C@H]1C[C@@H]1C(N)=[NH2+] 38457920 168653954 /nfs/dbraw/zinc/65/39/54/168653954.db2.gz VHHMCFRLHWLFFD-IMJSIDKUSA-N 1 0 98.149 0.578 50 0 ACAARO C[C@H]1C[C@@H]1[NH3+] 36379811 168655536 /nfs/dbraw/zinc/65/55/36/168655536.db2.gz PYTANBUURZFYHD-IMJSIDKUSA-N 1 0 71.123 0.354 50 0 in-vitro ACAARO C[C@H]1C[C@H](O)C[N@H+](C)C1 1296041 168660021 /nfs/dbraw/zinc/66/00/21/168660021.db2.gz CBRMWULTQJIPNA-BQBZGAKWSA-N 1 0 129.203 0.319 50 0 ACAARO C[C@H]1C[C@H]([NH3+])CO1 88189612 168661202 /nfs/dbraw/zinc/66/12/02/168661202.db2.gz HLAUKISKFSLYFI-WHFBIAKZSA-N 1 0 101.149 0.123 50 0 ACAARO C[C@H]1C[C@H]1C[NH3+] 19415206 168661989 /nfs/dbraw/zinc/66/19/89/168661989.db2.gz BRWRRWXQMCPPRZ-WHFBIAKZSA-N 1 0 85.150 0.601 50 0 in-vitro ACAARO C[C@H]1C[C@]2(CC[NH2+]1)CCO2 261507294 168665496 /nfs/dbraw/zinc/66/54/96/168665496.db2.gz HEUQSKHIHHZLRW-YUMQZZPRSA-N 1 0 141.214 0.917 50 0 ACAARO C[C@H]1[NH2+]CCC[C@@H]1O 59751215 168668885 /nfs/dbraw/zinc/66/88/85/168668885.db2.gz YAMQDSQNPDUGGS-RITPCOANSA-N 1 0 115.176 0.119 50 0 ACAARO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnn1C 95431678 168671542 /nfs/dbraw/zinc/67/15/42/168671542.db2.gz DCKMTJMDQQJKPF-PSASIEDQSA-N 1 0 195.266 0.687 50 0 ACAARO C[C@H]1SCC[C@@H]1[NH3+] 72266671 168674899 /nfs/dbraw/zinc/67/48/99/168674899.db2.gz IHJAUMYYRHUBBQ-UHNVWZDZSA-N 1 0 117.217 0.839 50 0 ACAARO C[C@H]1[C@@H](O)C2CC[NH+]1CC2 4787694 168675854 /nfs/dbraw/zinc/67/58/54/168675854.db2.gz VLJPCCPJHQAAQB-POYBYMJQSA-N 1 0 141.214 0.461 50 0 ACAARO C[C@]([NH3+])(CO)c1ccccc1 1602057 168682341 /nfs/dbraw/zinc/68/23/41/168682341.db2.gz WAQCLDRCXNFRBI-VIFPVBQESA-N 1 0 151.209 0.853 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])C(F)(F)F 34108631 168682660 /nfs/dbraw/zinc/68/26/60/168682660.db2.gz TYJCFMFELXBCOZ-VKHMYHEASA-N 1 0 143.108 0.258 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])c1ccc2c(c1)OCO2 36155139 168683450 /nfs/dbraw/zinc/68/34/50/168683450.db2.gz ATRBKPUNZVAPFX-JTQLQIEISA-N 1 0 195.218 0.582 50 0 ACAARO C[C@]1(C2CC2)C[NH2+]CCO1 23789594 168684786 /nfs/dbraw/zinc/68/47/86/168684786.db2.gz ADDYLHAEIGUETQ-MRVPVSSYSA-N 1 0 141.214 0.775 50 0 ACAARO C[C@]1(C[NH3+])CCOC1 54637615 168685634 /nfs/dbraw/zinc/68/56/34/168685634.db2.gz BIHDPCZORCLZAJ-ZCFIWIBFSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO C[C@]1(CO)CCC[C@H]1[NH3+] 71372415 168685757 /nfs/dbraw/zinc/68/57/57/168685757.db2.gz VGJDOVOKSWFTCD-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO C[C@]1(CO)CCC[NH2+]C1 19090718 168686550 /nfs/dbraw/zinc/68/65/50/168686550.db2.gz DMGCHHGYZKQCNX-ZETCQYMHSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[NH2+]1 238851084 168687846 /nfs/dbraw/zinc/68/78/46/168687846.db2.gz DWZNCLHNHINSAL-UTLUCORTSA-N 1 0 185.267 0.526 50 0 in-vitro ACAARO C[C@]1(O)CCCC[NH2+]C1 20417515 168688383 /nfs/dbraw/zinc/68/83/83/168688383.db2.gz PCLHMPWNWSQJIK-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 ACAARO C[C@]1(c2cc(=O)[nH][nH]2)CCC[NH2+]C1 72187579 168689644 /nfs/dbraw/zinc/68/96/44/168689644.db2.gz JMWSLMRSUIOJKN-VIFPVBQESA-N 1 0 181.239 0.756 50 0 ACAARO C[C@]1(O)CC[C@H]([NH3+])C1 87653676 168689913 /nfs/dbraw/zinc/68/99/13/168689913.db2.gz IYFHJEJEAYGRRF-WDSKDSINSA-N 1 0 115.176 0.249 50 0 ACAARO C[n+]1ccccc1CCO 34064406 168696156 /nfs/dbraw/zinc/69/61/56/168696156.db2.gz ZYKYCKCMUAAUKJ-UHFFFAOYSA-N 1 0 138.190 0.046 50 0 ACAARO Cc1c(Cl)cnn1CC[NH3+] 12357721 168711926 /nfs/dbraw/zinc/71/19/26/168711926.db2.gz RUAIMJXXDZJNMZ-UHFFFAOYSA-N 1 0 159.620 0.804 50 0 ACAARO Cc1cc(C)n(CCC[NH3+])n1 2489378 168746348 /nfs/dbraw/zinc/74/63/48/168746348.db2.gz AFJVVHQSOQPLOC-UHFFFAOYSA-N 1 0 153.229 0.849 50 0 in-vitro ACAARO Cc1cc(C)nc(CC[NH3+])n1 19088223 168748921 /nfs/dbraw/zinc/74/89/21/168748921.db2.gz JLCZNKONOKKWEP-UHFFFAOYSA-N 1 0 151.213 0.595 50 0 in-vitro ACAARO Cc1cc(CC[NH3+])no1 20270394 168752346 /nfs/dbraw/zinc/75/23/46/168752346.db2.gz HBDLQCGZQMJSNW-UHFFFAOYSA-N 1 0 126.159 0.484 50 0 ACAARO Cc1cc(CC[NH3+])n(C)n1 44397094 168752468 /nfs/dbraw/zinc/75/24/68/168752468.db2.gz YAYKEPPKXZPQHX-UHFFFAOYSA-N 1 0 139.202 0.230 50 0 ACAARO Cc1cc(C[NH3+])on1 9355850 168754388 /nfs/dbraw/zinc/75/43/88/168754388.db2.gz JKVMPILAJBLISV-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 in-vitro ACAARO Cc1cc(C[C@@H](C)[NH3+])on1 45328645 168758629 /nfs/dbraw/zinc/75/86/29/168758629.db2.gz JBKSNFMGMNTTLU-RXMQYKEDSA-N 1 0 140.186 0.873 50 0 in-vitro ACAARO Cc1cc(N)c(C)n[nH+]1 1674210 168764821 /nfs/dbraw/zinc/76/48/21/168764821.db2.gz YYLLDNULVPDUGN-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 ACAARO Cc1cc(N)[nH+]c(N)c1 2582068 168768570 /nfs/dbraw/zinc/76/85/70/168768570.db2.gz HUQGLWLBOCSVMD-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO Cc1cc(NCC[NH3+])n(C)n1 170090549 168770836 /nfs/dbraw/zinc/77/08/36/168770836.db2.gz CEFUSQUILPCBQX-UHFFFAOYSA-N 1 0 154.217 0.099 50 0 ACAARO Cc1cc(O[C@H]2CCC[NH2+]C2)ncn1 51873053 168777557 /nfs/dbraw/zinc/77/75/57/168777557.db2.gz VARVLSCTUYVSMC-VIFPVBQESA-N 1 0 193.250 0.916 50 0 ACAARO Cc1cc(O[C@@H]2CCC[NH2+]C2)ncn1 51873048 168778468 /nfs/dbraw/zinc/77/84/68/168778468.db2.gz VARVLSCTUYVSMC-SECBINFHSA-N 1 0 193.250 0.916 50 0 ACAARO Cc1cc[n+](CCC(N)=O)cc1 393590 168792471 /nfs/dbraw/zinc/79/24/71/168792471.db2.gz FYLATOJZSJWMGP-UHFFFAOYSA-O 1 0 165.216 0.158 50 0 ACAARO Cc1ccc(C(=O)NCC[NH3+])cc1 6029635 168800859 /nfs/dbraw/zinc/80/08/59/168800859.db2.gz IISCWLATEHABQS-UHFFFAOYSA-N 1 0 178.235 0.684 50 0 in-vitro ACAARO Cc1ccc(CC[NH3+])nc1 21985039 168809547 /nfs/dbraw/zinc/80/95/47/168809547.db2.gz ALFLVVUSEVUACU-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO Cc1ccc(C[NH3+])cc1S(C)(=O)=O 82638466 168811186 /nfs/dbraw/zinc/81/11/86/168811186.db2.gz KMGIUEVURYGDAE-UHFFFAOYSA-N 1 0 199.275 0.857 50 0 ACAARO Cc1ccc(CN2CC[NH2+]CC2)o1 23477032 168811425 /nfs/dbraw/zinc/81/14/25/168811425.db2.gz YJXYDJCNUAXWKY-UHFFFAOYSA-N 1 0 180.251 0.993 50 0 in-vitro ACAARO Cc1ccc(N2CCC[NH2+]CC2)nn1 41044946 168823805 /nfs/dbraw/zinc/82/38/05/168823805.db2.gz RCPGWBRVUXPUSD-UHFFFAOYSA-N 1 0 192.266 0.585 50 0 in-vitro ACAARO Cc1ccc(NCC[NH3+])nn1 91243643 168825213 /nfs/dbraw/zinc/82/52/13/168825213.db2.gz LPLWTVKVCSZUJY-UHFFFAOYSA-N 1 0 152.201 0.156 50 0 in-vitro ACAARO Cc1ccc(OC[C@@H](O)C[NH3+])cc1 289623 168831843 /nfs/dbraw/zinc/83/18/43/168831843.db2.gz AWPYDAIDERIOHM-VIFPVBQESA-N 1 0 181.235 0.693 50 0 ACAARO Cc1ccc(OCC[NH3+])nc1 51870097 168832307 /nfs/dbraw/zinc/83/23/07/168832307.db2.gz KUMIOJQXBGJULR-UHFFFAOYSA-N 1 0 152.197 0.728 50 0 ACAARO Cc1ccc([C@H](O)C[NH3+])cc1 11802863 168841592 /nfs/dbraw/zinc/84/15/92/168841592.db2.gz JHBXVBYRGVHEAH-SECBINFHSA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO Cc1ccc([C@H]2C[NH2+]CCN2)cc1N 211724941 168844151 /nfs/dbraw/zinc/84/41/51/168844151.db2.gz GPLYDROLROUWQR-LLVKDONJSA-N 1 0 191.278 0.811 50 0 ACAARO Cc1ccc([C@]2(O)CC[NH2+]C2)cn1 82462498 168845634 /nfs/dbraw/zinc/84/56/34/168845634.db2.gz YIVZEGNHWPSXBZ-JTQLQIEISA-N 1 0 178.235 0.571 50 0 ACAARO Cc1ccc2n1CC[NH2+]C2 2495711 168854437 /nfs/dbraw/zinc/85/44/37/168854437.db2.gz NZZIGWDVOCOTPD-UHFFFAOYSA-N 1 0 136.198 0.900 50 0 ACAARO Cc1cccc(=O)n1CCC[NH3+] 33513366 168860619 /nfs/dbraw/zinc/86/06/19/168860619.db2.gz VGTKGKJJNYKMDF-UHFFFAOYSA-N 1 0 166.224 0.506 50 0 in-vitro ACAARO Cc1cccc(C[C@@H]([NH3+])CO)n1 44463766 168865348 /nfs/dbraw/zinc/86/53/48/168865348.db2.gz SPCGSHGMBJSPRN-MRVPVSSYSA-N 1 0 166.224 0.252 50 0 ACAARO Cc1cccc(C[NH2+]CCC(N)=O)c1 32629210 168865668 /nfs/dbraw/zinc/86/56/68/168865668.db2.gz ZRPOIYZVEWMPIL-UHFFFAOYSA-N 1 0 192.262 0.960 50 0 ACAARO Cc1cccc(NN)[nH+]1 11567888 168869720 /nfs/dbraw/zinc/86/97/20/168869720.db2.gz RDVGWJKUYXVTSO-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 in-vitro ACAARO Cc1cccc(OC[C@H](O)C[NH3+])c1 4384449 168871031 /nfs/dbraw/zinc/87/10/31/168871031.db2.gz NUEKYLDQIOYNLD-SECBINFHSA-N 1 0 181.235 0.693 50 0 ACAARO Cc1cccc[n+]1C 967290 168881968 /nfs/dbraw/zinc/88/19/68/168881968.db2.gz UMZDENILBZKMFY-UHFFFAOYSA-N 1 0 108.164 0.820 50 0 ACAARO Cc1cccnc1CN1CC[C@@H]([NH3+])C1 70557995 168885562 /nfs/dbraw/zinc/88/55/62/168885562.db2.gz XJFNSNGIDUUKSN-SNVBAGLBSA-N 1 0 191.278 0.923 50 0 ACAARO Cc1ccc[nH+]c1NN 8626507 168886621 /nfs/dbraw/zinc/88/66/21/168886621.db2.gz IRZALWDJCUHVNE-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 in-vitro ACAARO Cc1cccnc1NC(=O)CC[NH3+] 19813130 168887325 /nfs/dbraw/zinc/88/73/25/168887325.db2.gz VNYXIYZTGGHELM-UHFFFAOYSA-N 1 0 179.223 0.677 50 0 ACAARO Cc1ccn2cc(CC[NH3+])nc2n1 38549150 168887654 /nfs/dbraw/zinc/88/76/54/168887654.db2.gz CTKCSGSIDHGFMU-UHFFFAOYSA-N 1 0 176.223 0.539 50 0 ACAARO Cc1ccnc(OC2CC[NH2+]CC2)n1 61859889 168889983 /nfs/dbraw/zinc/88/99/83/168889983.db2.gz ZPNKWEMDUPDUDU-UHFFFAOYSA-N 1 0 193.250 0.916 50 0 ACAARO Cc1ccnc(O[C@H]2CC[NH2+]C2)n1 61859897 168890144 /nfs/dbraw/zinc/89/01/44/168890144.db2.gz QFDBKPQDAQQJJC-QMMMGPOBSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1cn(C)c(N)[nH+]1 82828813 168896573 /nfs/dbraw/zinc/89/65/73/168896573.db2.gz LBNUVHAZHQZPHM-UHFFFAOYSA-N 1 0 111.148 0.311 50 0 ACAARO Cc1cnc(CN2CC[NH2+]CC2)o1 82534083 168902497 /nfs/dbraw/zinc/90/24/97/168902497.db2.gz LVWBNRIUZQDGEW-UHFFFAOYSA-N 1 0 181.239 0.388 50 0 ACAARO Cc1cnc(C[NH2+]CCO)s1 22862149 168903294 /nfs/dbraw/zinc/90/32/94/168903294.db2.gz YZRJQSFOIRBGNU-UHFFFAOYSA-N 1 0 172.253 0.533 50 0 ACAARO Cc1cnc(CN(C)[C@H]2CC[NH2+]C2)o1 78878687 168904023 /nfs/dbraw/zinc/90/40/23/168904023.db2.gz JOYVKSVKGVYZCF-VIFPVBQESA-N 1 0 195.266 0.777 50 0 in-vitro ACAARO Cc1c[nH+]c(N)c(N)c1 4829390 168904249 /nfs/dbraw/zinc/90/42/49/168904249.db2.gz AITFREYTVOPXOT-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO Cc1cnc(N)nc1C1CC[NH2+]CC1 72344133 168904314 /nfs/dbraw/zinc/90/43/14/168904314.db2.gz FVJKAVGTTZFJMZ-UHFFFAOYSA-N 1 0 192.266 0.834 50 0 ACAARO Cc1cnc(N)nc1[C@H]1CCC[NH2+]1 242648971 168905221 /nfs/dbraw/zinc/90/52/21/168905221.db2.gz RNSVCMLKYYOQGL-SSDOTTSWSA-N 1 0 178.239 0.792 50 0 ACAARO Cc1cnc(N)nc1[C@@H]1CCC[NH2+]C1 72344134 168905246 /nfs/dbraw/zinc/90/52/46/168905246.db2.gz GZSLIJYCGLXMRD-MRVPVSSYSA-N 1 0 192.266 0.834 50 0 ACAARO Cc1cnc(O[C@@H]2CC[NH2+]C2)nc1 63049268 168906723 /nfs/dbraw/zinc/90/67/23/168906723.db2.gz XCUAPUBHCOQCCV-MRVPVSSYSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1cnc(OC2CC[NH2+]CC2)nc1 63049262 168906868 /nfs/dbraw/zinc/90/68/68/168906868.db2.gz IWLTXIVAHBGIKE-UHFFFAOYSA-N 1 0 193.250 0.916 50 0 in-vitro ACAARO Cc1cnc(NC2CC[NH2+]CC2)nc1 63049028 168907191 /nfs/dbraw/zinc/90/71/91/168907191.db2.gz BNFHSUCATHIQKQ-UHFFFAOYSA-N 1 0 192.266 0.949 50 0 ACAARO Cc1cnc(O[C@H]2CCC[NH2+]C2)nc1 63049280 168907253 /nfs/dbraw/zinc/90/72/53/168907253.db2.gz QDIRXQGIMCIUIO-VIFPVBQESA-N 1 0 193.250 0.916 50 0 ACAARO Cc1cnccc1C(N)=[NH2+] 34345823 168912702 /nfs/dbraw/zinc/91/27/02/168912702.db2.gz UWIMHJUGORCLEI-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 ACAARO Cc1cncnc1O[C@H]1CC[NH2+]C1 76603318 168913673 /nfs/dbraw/zinc/91/36/73/168913673.db2.gz QJEGLZFNCKUYDL-QMMMGPOBSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1cn[nH+]c(NN)c1 205175613 168916844 /nfs/dbraw/zinc/91/68/44/168916844.db2.gz XBEBITQBPOOXFH-UHFFFAOYSA-N 1 0 124.147 0.071 50 0 ACAARO Cc1csc(CN2CC[NH2+]CC2)n1 23477996 168920512 /nfs/dbraw/zinc/92/05/12/168920512.db2.gz JZBJFMUAZJMOCI-UHFFFAOYSA-N 1 0 197.307 0.857 50 0 in-vitro ACAARO Cc1csc(NC(=O)[C@H](C)[NH3+])n1 19516722 168921123 /nfs/dbraw/zinc/92/11/23/168921123.db2.gz MYYKDSYLNCVCBZ-YFKPBYRVSA-N 1 0 185.252 0.737 50 0 ACAARO Cc1csc(CC[NH3+])n1 3708398 168921234 /nfs/dbraw/zinc/92/12/34/168921234.db2.gz LMFUPQCACBHAFD-UHFFFAOYSA-N 1 0 142.227 0.953 50 0 in-vitro ACAARO Cc1n(C)cc[n+]1C 2510895 168922606 /nfs/dbraw/zinc/92/26/06/168922606.db2.gz KCUGPPHNMASOTE-UHFFFAOYSA-N 1 0 111.168 0.158 50 0 ACAARO Cc1n[n+]2cccnc2s1 391038 168922902 /nfs/dbraw/zinc/92/29/02/168922902.db2.gz OLBVYSVYCBLRHX-UHFFFAOYSA-N 1 0 152.202 0.585 50 0 ACAARO Cc1n[nH]c(C)c1CNCC[NH3+] 37712834 168924173 /nfs/dbraw/zinc/92/41/73/168924173.db2.gz BGPAWLMIGGUGCG-UHFFFAOYSA-N 1 0 168.244 0.075 50 0 in-vitro ACAARO Cc1nc(SCC[NH3+])n[nH]1 4503371 168926861 /nfs/dbraw/zinc/92/68/61/168926861.db2.gz HZXHKHYOZYEEOQ-UHFFFAOYSA-N 1 0 158.230 0.164 50 0 ACAARO C[C@@H]([NH3+])[C@@H]1CC1(F)F 299805266 168365589 /nfs/dbraw/zinc/36/55/89/168365589.db2.gz GPYXLJTYTVJBQZ-DMTCNVIQSA-N 1 0 121.130 0.989 50 0 ACAARO C[C@@H]([NH3+])Cn1cccn1 4503358 168365621 /nfs/dbraw/zinc/36/56/21/168365621.db2.gz UWVUXGHAXNILPG-ZCFIWIBFSA-N 1 0 125.175 0.230 50 0 in-vitro ACAARO Cc1nc(C)n(C[C@H]2CCC[NH2+]2)n1 43496192 168935088 /nfs/dbraw/zinc/93/50/88/168935088.db2.gz FGUCCXYRINXZQD-SECBINFHSA-N 1 0 180.255 0.647 50 0 ACAARO Cc1nc(C)n(C2C[NH2+]C2)n1 54931661 168935419 /nfs/dbraw/zinc/93/54/19/168935419.db2.gz KKPNPQIXEWFHBD-UHFFFAOYSA-N 1 0 152.201 0.039 50 0 in-vitro ACAARO Cc1nc(C)n(C[C@@H]2CCC[NH2+]2)n1 43496190 168935724 /nfs/dbraw/zinc/93/57/24/168935724.db2.gz FGUCCXYRINXZQD-VIFPVBQESA-N 1 0 180.255 0.647 50 0 ACAARO Cc1nc(CC[NH3+])nc2c1CCC2 19088226 168938790 /nfs/dbraw/zinc/93/87/90/168938790.db2.gz TYKMYROQWMRDOW-UHFFFAOYSA-N 1 0 177.251 0.775 50 0 in-vitro ACAARO Cc1[nH+]c(N)n(C)c1C 95761515 168944754 /nfs/dbraw/zinc/94/47/54/168944754.db2.gz CBCIYKBGCGRWLR-UHFFFAOYSA-N 1 0 125.175 0.619 50 0 ACAARO Cc1nc([C@@H]2CC[NH2+]C2)no1 96862028 168949212 /nfs/dbraw/zinc/94/92/12/168949212.db2.gz RFNIUBLYJWOZHO-ZCFIWIBFSA-N 1 0 153.185 0.455 50 0 ACAARO Cc1nc([C@H]2CCC[NH2+]C2)no1 19686230 168951043 /nfs/dbraw/zinc/95/10/43/168951043.db2.gz RNZPWGXBWMZDBW-ZETCQYMHSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1nc2nc(CC[NH3+])cn2nc1C 26476593 168959674 /nfs/dbraw/zinc/95/96/74/168959674.db2.gz ANGRGXHKOCHDKH-UHFFFAOYSA-N 1 0 191.238 0.242 50 0 ACAARO Cc1ncc(CN2CC[C@H]([NH3+])C2)s1 49533886 168963115 /nfs/dbraw/zinc/96/31/15/168963115.db2.gz WZXLIAXUSXEUBC-QMMMGPOBSA-N 1 0 197.307 0.985 50 0 ACAARO Cc1ncc2c(n1)CC[C@@H]([NH3+])C2 20281044 168968130 /nfs/dbraw/zinc/96/81/30/168968130.db2.gz LAUKEOJVUNGGAN-MRVPVSSYSA-N 1 0 163.224 0.601 50 0 in-vitro ACAARO Cc1nccc([C@@H]2CC[NH2+]C2)n1 19686570 168972312 /nfs/dbraw/zinc/97/23/12/168972312.db2.gz RKMRZRYZJSRHBK-MRVPVSSYSA-N 1 0 163.224 0.862 50 0 ACAARO Cc1ncccc1C[NH3+] 2524719 168972743 /nfs/dbraw/zinc/97/27/43/168972743.db2.gz YMROUWDKBBTAPS-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO Cc1nccn1C[C@H](C)C[NH3+] 11735104 168973427 /nfs/dbraw/zinc/97/34/27/168973427.db2.gz MSJBNKMUDXAGCS-SSDOTTSWSA-N 1 0 153.229 0.786 50 0 in-vitro ACAARO Cc1nccn1CC[NH3+] 4453804 168974425 /nfs/dbraw/zinc/97/44/25/168974425.db2.gz QKVROWZQJVDFSO-UHFFFAOYSA-N 1 0 125.175 0.150 50 0 in-vitro ACAARO Cc1nccnc1[C@H](C)[NH3+] 20418008 168976629 /nfs/dbraw/zinc/97/66/29/168976629.db2.gz ZSXDATROELJNEU-YFKPBYRVSA-N 1 0 137.186 0.805 50 0 ACAARO Cc1nn(C)c(C)c1CC[NH3+] 8733279 168981979 /nfs/dbraw/zinc/98/19/79/168981979.db2.gz YKNKANAAYSLJMA-UHFFFAOYSA-N 1 0 153.229 0.538 50 0 in-vitro ACAARO Cc1nn(C)c2c1C[C@@H]([NH3+])CN2 19408127 168983257 /nfs/dbraw/zinc/98/32/57/168983257.db2.gz KAIJJBGBXLAITA-ZCFIWIBFSA-N 1 0 166.228 0.024 50 0 ACAARO Cc1nn(C)c(C)c1[C@H](O)C[NH3+] 20283349 168984287 /nfs/dbraw/zinc/98/42/87/168984287.db2.gz STPGKUVSQGDNCN-SSDOTTSWSA-N 1 0 169.228 0.029 50 0 ACAARO Cc1nn(C)cc1C[C@@H](C)[NH3+] 2549375 168985716 /nfs/dbraw/zinc/98/57/16/168985716.db2.gz SWADLRHZKGODQE-ZCFIWIBFSA-N 1 0 153.229 0.618 50 0 ACAARO Cc1nn(C)cc1[C@H](C)[NH3+] 2731886 168985746 /nfs/dbraw/zinc/98/57/46/168985746.db2.gz ZHCIXQMRFVTGGF-YFKPBYRVSA-N 1 0 139.202 0.748 50 0 in-vitro ACAARO Cc1nnc(CN2CC[NH2+]CC2)s1 71507730 168989258 /nfs/dbraw/zinc/98/92/58/168989258.db2.gz VKUUWJPZHIKMFH-UHFFFAOYSA-N 1 0 198.295 0.252 50 0 ACAARO Cc1nnc(CCC[NH3+])s1 82522539 168990468 /nfs/dbraw/zinc/99/04/68/168990468.db2.gz FZZCFDPMVHKVIH-UHFFFAOYSA-N 1 0 157.242 0.738 50 0 ACAARO Cc1nnc(SCC[NH3+])s1 2538793 168993687 /nfs/dbraw/zinc/99/36/87/168993687.db2.gz DUIDUDBKDBJDFG-UHFFFAOYSA-N 1 0 175.282 0.897 50 0 ACAARO Cc1nnc([C@H]2CCC[NH2+]C2)o1 26424229 168994852 /nfs/dbraw/zinc/99/48/52/168994852.db2.gz BAWKGMVJXWCTFA-ZETCQYMHSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1nncn1C1CC[NH2+]CC1 82587641 168995812 /nfs/dbraw/zinc/99/58/12/168995812.db2.gz QCCZXUHJRZHKIL-UHFFFAOYSA-N 1 0 166.228 0.511 50 0 in-vitro ACAARO Cc1nnsc1[C@H](C)[NH3+] 82839471 168996951 /nfs/dbraw/zinc/99/69/51/168996951.db2.gz XFXDDFKGZDTHRB-VKHMYHEASA-N 1 0 143.215 0.866 50 0 ACAARO Cc1noc([C@@H]2CCC[NH2+]C2)n1 4520809 169000839 /nfs/dbraw/zinc/00/08/39/169000839.db2.gz MPYNENJKQSNBDF-SSDOTTSWSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 54301302 169000987 /nfs/dbraw/zinc/00/09/87/169000987.db2.gz WEEDXVFNBNAFOP-QMMMGPOBSA-N 1 0 181.239 0.920 50 0 ACAARO Cc1noc([C@@H](C)N2CC[NH2+]CC2)n1 51640232 169001665 /nfs/dbraw/zinc/00/16/65/169001665.db2.gz RNZABCDPRFSXQG-SSDOTTSWSA-N 1 0 196.254 0.344 50 0 in-vitro ACAARO Cc1noc([C@@H]2CCC[NH2+]2)n1 19089597 169001745 /nfs/dbraw/zinc/00/17/45/169001745.db2.gz HVPGJKMIHQOPDG-LURJTMIESA-N 1 0 153.185 0.803 50 0 in-vitro ACAARO Cc1noc(C[C@H]2CCC[NH2+]C2)n1 54301305 169002176 /nfs/dbraw/zinc/00/21/76/169002176.db2.gz WEEDXVFNBNAFOP-MRVPVSSYSA-N 1 0 181.239 0.920 50 0 ACAARO Cc1noc([C@@]2(C)CCC[NH2+]2)n1 70652811 169002562 /nfs/dbraw/zinc/00/25/62/169002562.db2.gz FLQDPJXNOIAVFY-MRVPVSSYSA-N 1 0 167.212 0.977 50 0 ACAARO Cc1noc([C@H](C)N)n1 20439894 169002620 /nfs/dbraw/zinc/00/26/20/169002620.db2.gz VZKFDBDBHDMKHK-VKHMYHEASA-N 1 0 127.147 0.398 50 0 in-vitro ACAARO Cc1noc([C@]2(C)CCC[NH2+]2)n1 70652810 169002746 /nfs/dbraw/zinc/00/27/46/169002746.db2.gz FLQDPJXNOIAVFY-QMMMGPOBSA-N 1 0 167.212 0.977 50 0 ACAARO Cc1noc([C@@]2(C)C[NH2+]CCO2)n1 72344526 169002789 /nfs/dbraw/zinc/00/27/89/169002789.db2.gz RCTYQWLRSYJQKE-MRVPVSSYSA-N 1 0 183.211 0.213 50 0 ACAARO Cc1noc([C@H]2CCC[NH2+]C2)n1 4520810 169002860 /nfs/dbraw/zinc/00/28/60/169002860.db2.gz MPYNENJKQSNBDF-ZETCQYMHSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1noc([C@]2(C)C[NH2+]CCO2)n1 72344525 169002946 /nfs/dbraw/zinc/00/29/46/169002946.db2.gz RCTYQWLRSYJQKE-QMMMGPOBSA-N 1 0 183.211 0.213 50 0 ACAARO Cc1noc([C@H]2CC[NH2+]C2)n1 12359742 169003187 /nfs/dbraw/zinc/00/31/87/169003187.db2.gz AMTJXKSIHPLYQB-LURJTMIESA-N 1 0 153.185 0.455 50 0 in-vitro ACAARO Cc1noc([C@H](N)C2CCOCC2)n1 170086193 169003337 /nfs/dbraw/zinc/00/33/37/169003337.db2.gz JMYKJPOVDAJOKF-MRVPVSSYSA-N 1 0 197.238 0.804 50 0 ACAARO Cc1noc2c1CC[NH2+]C2 26059233 169003430 /nfs/dbraw/zinc/00/34/30/169003430.db2.gz CMQCALVYGRNZAE-UHFFFAOYSA-N 1 0 138.170 0.629 50 0 ACAARO Cc1noc([C@H](C)N2CC[NH2+]CC2)n1 51640234 169003670 /nfs/dbraw/zinc/00/36/70/169003670.db2.gz RNZABCDPRFSXQG-ZETCQYMHSA-N 1 0 196.254 0.344 50 0 in-vitro ACAARO Cc1noc([C@@H]2CC[NH2+]C2)n1 12359741 169003965 /nfs/dbraw/zinc/00/39/65/169003965.db2.gz AMTJXKSIHPLYQB-ZCFIWIBFSA-N 1 0 153.185 0.455 50 0 in-vitro ACAARO Cc1nonc1[C@H]1CCC[NH2+]1 19089091 169004373 /nfs/dbraw/zinc/00/43/73/169004373.db2.gz DIYORNGAPDTTKE-ZCFIWIBFSA-N 1 0 153.185 0.803 50 0 in-vitro ACAARO Cc1nsc(N2CC[NH2+]CC2)n1 60302003 169004703 /nfs/dbraw/zinc/00/47/03/169004703.db2.gz YILAROBYBHNHHI-UHFFFAOYSA-N 1 0 184.268 0.256 50 0 ACAARO Cc1nsc(N2CCC[NH2+]CC2)n1 71790410 169004901 /nfs/dbraw/zinc/00/49/01/169004901.db2.gz MZKLTZIEMSVRMI-UHFFFAOYSA-N 1 0 198.295 0.646 50 0 in-vitro ACAARO Cc1nocc1C[NH3+] 20446483 169005498 /nfs/dbraw/zinc/00/54/98/169005498.db2.gz JRPBQFVNYPRYAJ-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 in-vitro ACAARO Cc1nonc1[C@@H]1CCC[NH2+]1 19089088 169005658 /nfs/dbraw/zinc/00/56/58/169005658.db2.gz DIYORNGAPDTTKE-LURJTMIESA-N 1 0 153.185 0.803 50 0 in-vitro ACAARO Cc1nsnc1C[NH3+] 26466366 169007421 /nfs/dbraw/zinc/00/74/21/169007421.db2.gz MYRKWDMOMWVVNQ-UHFFFAOYSA-N 1 0 129.188 0.305 50 0 ACAARO Cc1occc1C(N)=[NH2+] 26898070 169009989 /nfs/dbraw/zinc/00/99/89/169009989.db2.gz CWPVKECFLCWALL-UHFFFAOYSA-N 1 0 124.143 0.872 50 0 in-vitro ACAARO Cc1occc1C(=O)N1CC[NH2+]CC1 21954288 169011947 /nfs/dbraw/zinc/01/19/47/169011947.db2.gz LYOCJKQNXTWUNI-UHFFFAOYSA-N 1 0 194.234 0.633 50 0 in-vitro ACAARO Cc1oncc1CN1CC[NH2+]CC1 72226829 169013049 /nfs/dbraw/zinc/01/30/49/169013049.db2.gz FGRPWWPRAUWUSG-UHFFFAOYSA-N 1 0 181.239 0.388 50 0 ACAARO Cc1oncc1CN1CCC[NH2+]CC1 72226828 169013352 /nfs/dbraw/zinc/01/33/52/169013352.db2.gz ZCAYUZXHAXZYDX-UHFFFAOYSA-N 1 0 195.266 0.778 50 0 ACAARO Cc1oncc1C(=O)N1CC[NH2+]CC1 20285741 169013431 /nfs/dbraw/zinc/01/34/31/169013431.db2.gz RYCFEBKTXIVOSM-UHFFFAOYSA-N 1 0 195.222 0.028 50 0 in-vitro ACAARO Cc1ocnc1CC[NH3+] 82835991 169013687 /nfs/dbraw/zinc/01/36/87/169013687.db2.gz PCFQXPHLIDJWIJ-UHFFFAOYSA-N 1 0 126.159 0.484 50 0 ACAARO Cc1ocnc1CN1CC[NH2+]CC1 82635182 169013748 /nfs/dbraw/zinc/01/37/48/169013748.db2.gz ALMLRHBBDXINTB-UHFFFAOYSA-N 1 0 181.239 0.388 50 0 ACAARO Cc1oncc1C[NH3+] 48218331 169013974 /nfs/dbraw/zinc/01/39/74/169013974.db2.gz ZRIIZUYEXSYUNH-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 ACAARO Cc1scnc1C[NH3+] 82411207 169016332 /nfs/dbraw/zinc/01/63/32/169016332.db2.gz AOHGZJDGRPUQBG-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 ACAARO Clc1cc(OC2C[NH2+]C2)ncn1 42770133 169021041 /nfs/dbraw/zinc/02/10/41/169021041.db2.gz AXZLAPPSEJELCK-UHFFFAOYSA-N 1 0 185.614 0.481 50 0 ACAARO Clc1cc(O[C@@H]2CC[NH2+]C2)ncn1 48895443 169021118 /nfs/dbraw/zinc/02/11/18/169021118.db2.gz KBDDSMDOLYHWHD-ZCFIWIBFSA-N 1 0 199.641 0.871 50 0 in-vitro ACAARO Clc1cc2c(nn1)CC[NH2+]C2 35270011 169021754 /nfs/dbraw/zinc/02/17/54/169021754.db2.gz ALJUPDQYZZRFSN-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 in-vitro ACAARO Clc1cc(O[C@H]2CC[NH2+]C2)ncn1 42783006 169022377 /nfs/dbraw/zinc/02/23/77/169022377.db2.gz KBDDSMDOLYHWHD-LURJTMIESA-N 1 0 199.641 0.871 50 0 in-vitro ACAARO Clc1cc2c(nn1)C[NH2+]CC2 35270010 169022469 /nfs/dbraw/zinc/02/24/69/169022469.db2.gz RXBBFWAJORBXOQ-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 ACAARO Clc1cncc(OC2C[NH2+]C2)n1 42770137 169025948 /nfs/dbraw/zinc/02/59/48/169025948.db2.gz DTCFSDYPCMEIAP-UHFFFAOYSA-N 1 0 185.614 0.481 50 0 in-vitro ACAARO Clc1cncc(O[C@H]2CC[NH2+]C2)n1 42783014 169026295 /nfs/dbraw/zinc/02/62/95/169026295.db2.gz NTSBUPDIHMTBFP-LURJTMIESA-N 1 0 199.641 0.871 50 0 ACAARO Clc1cncc(O[C@@H]2CC[NH2+]C2)n1 42783013 169026850 /nfs/dbraw/zinc/02/68/50/169026850.db2.gz NTSBUPDIHMTBFP-ZCFIWIBFSA-N 1 0 199.641 0.871 50 0 ACAARO Clc1ncnc2c1CC[NH2+]C2 40448458 169027187 /nfs/dbraw/zinc/02/71/87/169027187.db2.gz NJOMQJJBIYKCLG-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 ACAARO Clc1ncnc2c1C[NH2+]CC2 35270215 169027314 /nfs/dbraw/zinc/02/73/14/169027314.db2.gz SAAGHRIZYAVSBK-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 ACAARO Clc1ncc2c(n1)CC[NH2+]C2 35269973 169027510 /nfs/dbraw/zinc/02/75/10/169027510.db2.gz AFGGDJZHKDARGC-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 in-vitro ACAARO Clc1ncc2c(n1)C[NH2+]CC2 75629590 169027799 /nfs/dbraw/zinc/02/77/99/169027799.db2.gz YMJIKGJKYMEOCM-UHFFFAOYSA-N 1 0 169.615 0.776 50 0 in-vitro ACAARO Clc1ncnc2c1CC[NH2+]CC2 51951707 169027812 /nfs/dbraw/zinc/02/78/12/169027812.db2.gz SHBHZQHQQIQMOD-UHFFFAOYSA-N 1 0 183.642 0.818 50 0 ACAARO Cn1c(=O)n(C)c2c(C[NH3+])cccc21 82896227 169028734 /nfs/dbraw/zinc/02/87/34/169028734.db2.gz OTBSBCPRVDHUKZ-UHFFFAOYSA-N 1 0 191.234 0.336 50 0 ACAARO Cn1c(=O)n(C)c2cc(C[NH3+])ccc21 215305 169029868 /nfs/dbraw/zinc/02/98/68/169029868.db2.gz GDVGETHSXBLPHM-UHFFFAOYSA-N 1 0 191.234 0.336 50 0 in-vitro ACAARO Cn1c(=O)c(C[NH3+])cc2ccccc21 40165803 169030120 /nfs/dbraw/zinc/03/01/20/169030120.db2.gz STAMLNKDZCBTOO-UHFFFAOYSA-N 1 0 188.230 0.997 50 0 ACAARO Cn1c(=O)cc(C[NH3+])c2ccccc21 82636088 169030215 /nfs/dbraw/zinc/03/02/15/169030215.db2.gz BGGQBVMOTYBZIP-UHFFFAOYSA-N 1 0 188.230 0.997 50 0 ACAARO Cn1c(C2CC[NH2+]CC2)n[nH]c1=S 20427555 169030853 /nfs/dbraw/zinc/03/08/53/169030853.db2.gz GFUXLYVFHZNFAK-UHFFFAOYSA-N 1 0 198.295 0.945 50 0 in-vitro ACAARO Cn1c(C2CC2)cnc1C(N)=[NH2+] 95644234 169031040 /nfs/dbraw/zinc/03/10/40/169031040.db2.gz PQAZILHXUDQSHE-UHFFFAOYSA-N 1 0 164.212 0.582 50 0 ACAARO Cn1c(C[NH3+])nc2ccncc21 82404815 169032181 /nfs/dbraw/zinc/03/21/81/169032181.db2.gz QUULYKHXVRYPKP-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 ACAARO Cn1c(N)[nH+]c2c1CCCC2 75843695 169032595 /nfs/dbraw/zinc/03/25/95/169032595.db2.gz RWDCZASGZPRKGX-UHFFFAOYSA-N 1 0 151.213 0.881 50 0 ACAARO Cn1c(C[NH3+])nnc1C1CC1 18585032 169032907 /nfs/dbraw/zinc/03/29/07/169032907.db2.gz KEVIZNABPAWSPB-UHFFFAOYSA-N 1 0 152.201 0.151 50 0 in-vitro ACAARO Cn1c(C[NH3+])nc2cccnc21 82404804 169032969 /nfs/dbraw/zinc/03/29/69/169032969.db2.gz JCLJGQJDGHEXKW-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 in-vitro ACAARO Cn1c(C[NH3+])nc2ccccc2c1=O 41204451 169033090 /nfs/dbraw/zinc/03/30/90/169033090.db2.gz ZMXRPAIRVUEYSU-UHFFFAOYSA-N 1 0 189.218 0.392 50 0 in-vitro ACAARO Cn1c(Cl)cnc1C[NH3+] 34938358 169033186 /nfs/dbraw/zinc/03/31/86/169033186.db2.gz HGXDQNTVESNFNG-UHFFFAOYSA-N 1 0 145.593 0.532 50 0 ACAARO Cn1c(CN)[n+](C)c2ccccc21 98209803 169033422 /nfs/dbraw/zinc/03/34/22/169033422.db2.gz YVNSHMMSYSQJPE-UHFFFAOYSA-N 1 0 176.243 0.462 50 0 ACAARO Cn1c(C[NH3+])nnc1-c1ccccc1 58520707 169033430 /nfs/dbraw/zinc/03/34/30/169033430.db2.gz XCQBFCCJUQHDRM-UHFFFAOYSA-N 1 0 188.234 0.941 50 0 ACAARO Cn1c(C[NH3+])nc2cnccc21 82404817 169033757 /nfs/dbraw/zinc/03/37/57/169033757.db2.gz SSNIDIYPCCLRTC-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 in-vitro ACAARO Cn1c(CC[NH3+])nc2cccnc21 14988105 169033897 /nfs/dbraw/zinc/03/38/97/169033897.db2.gz ODOBGNCJWFQPNV-UHFFFAOYSA-N 1 0 176.223 0.470 50 0 ACAARO Cn1c2c(ccc1=O)[C@@H]([NH3+])CCC2 88023778 169034592 /nfs/dbraw/zinc/03/45/92/169034592.db2.gz ZYBBJQYYWSIZCD-QMMMGPOBSA-N 1 0 178.235 0.721 50 0 ACAARO Cn1c2c(ccc1=O)[C@H]([NH3+])CCC2 88023779 169034659 /nfs/dbraw/zinc/03/46/59/169034659.db2.gz ZYBBJQYYWSIZCD-MRVPVSSYSA-N 1 0 178.235 0.721 50 0 ACAARO Cn1c([C@H]2CCC[NH2+]C2)n[nH]c1=S 57218744 169034727 /nfs/dbraw/zinc/03/47/27/169034727.db2.gz XCWRIRMCKWOSIV-LURJTMIESA-N 1 0 198.295 0.945 50 0 in-vitro ACAARO Cn1c([C@@H]2CCC[NH2+]C2)n[nH]c1=S 57218743 169035115 /nfs/dbraw/zinc/03/51/15/169035115.db2.gz XCWRIRMCKWOSIV-ZCFIWIBFSA-N 1 0 198.295 0.945 50 0 in-vitro ACAARO Cn1cc(C(=O)C[C@@H]2CCC[NH2+]2)cn1 82164109 169035900 /nfs/dbraw/zinc/03/59/00/169035900.db2.gz HZGFZSALGDOUPI-VIFPVBQESA-N 1 0 193.250 0.745 50 0 in-vitro ACAARO Cn1cc(C(=O)C[C@H]2CCC[NH2+]2)cn1 82164112 169036060 /nfs/dbraw/zinc/03/60/60/169036060.db2.gz HZGFZSALGDOUPI-SECBINFHSA-N 1 0 193.250 0.745 50 0 in-vitro ACAARO Cn1cc(C2([NH3+])CC2)cn1 74934378 169036296 /nfs/dbraw/zinc/03/62/96/169036296.db2.gz OWJBIEVIQPWJFC-UHFFFAOYSA-N 1 0 137.186 0.368 50 0 in-vitro ACAARO Cn1cc(C2([NH3+])CCOCC2)cn1 63077106 169036582 /nfs/dbraw/zinc/03/65/82/169036582.db2.gz PKMWYNPMVPWZGV-UHFFFAOYSA-N 1 0 181.239 0.385 50 0 ACAARO Cn1cc(C(C)(C)[NH3+])cn1 33487322 169036846 /nfs/dbraw/zinc/03/68/46/169036846.db2.gz OSXSDUMYPXFKCT-UHFFFAOYSA-N 1 0 139.202 0.614 50 0 in-vitro ACAARO Cn1cc(Br)c(C[NH3+])n1 2537525 169037263 /nfs/dbraw/zinc/03/72/63/169037263.db2.gz MQRWZRWVHPJPON-UHFFFAOYSA-N 1 0 190.044 0.641 50 0 in-vitro ACAARO Cn1cc(C[NH2+]C2CC2)nn1 54858324 169037533 /nfs/dbraw/zinc/03/75/33/169037533.db2.gz COBJBBVQXYDCJU-UHFFFAOYSA-N 1 0 152.201 0.067 50 0 ACAARO Cn1cc(CCCC[NH3+])cn1 57218580 169037679 /nfs/dbraw/zinc/03/76/79/169037679.db2.gz LKMSDWRFQSEZFB-UHFFFAOYSA-N 1 0 153.229 0.702 50 0 in-vitro ACAARO Cn1cc(C[NH3+])c(-c2cccnc2)n1 82636117 169037740 /nfs/dbraw/zinc/03/77/40/169037740.db2.gz NSTRMZFPXIBYNQ-UHFFFAOYSA-N 1 0 188.234 0.941 50 0 ACAARO Cn1cc(C[NH3+])c(-c2ccccn2)n1 82636107 169037743 /nfs/dbraw/zinc/03/77/43/169037743.db2.gz NSKVYDKIUYXKQO-UHFFFAOYSA-N 1 0 188.234 0.941 50 0 ACAARO Cn1cc(C[NH+]2CCC(O)CC2)cn1 49856480 169037772 /nfs/dbraw/zinc/03/77/72/169037772.db2.gz LAUGHTLUCZUFMQ-UHFFFAOYSA-N 1 0 195.266 0.377 50 0 ACAARO Cn1cc(C[NH2+]C2CC2)cn1 15635698 169037905 /nfs/dbraw/zinc/03/79/05/169037905.db2.gz TXOZZTPJCYYMEI-UHFFFAOYSA-N 1 0 151.213 0.672 50 0 ACAARO Cn1cc(C[NH3+])c(-c2ccncc2)n1 82636118 169037926 /nfs/dbraw/zinc/03/79/26/169037926.db2.gz PBOOYQLDZOPMCP-UHFFFAOYSA-N 1 0 188.234 0.941 50 0 ACAARO Cn1cc(C2CC[NH2+]CC2)cn1 33487581 169037973 /nfs/dbraw/zinc/03/79/73/169037973.db2.gz IUDLSNKWDQBFQL-UHFFFAOYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1cc(CN2CCC[NH2+]CC2)cn1 20253486 169038123 /nfs/dbraw/zinc/03/81/23/169038123.db2.gz ZLFRDOPNEXBERC-UHFFFAOYSA-N 1 0 194.282 0.215 50 0 in-vitro ACAARO Cn1cc(CCC[NH3+])cn1 43559435 169038180 /nfs/dbraw/zinc/03/81/80/169038180.db2.gz UFYZSPYVYKTZCA-UHFFFAOYSA-N 1 0 139.202 0.311 50 0 in-vitro ACAARO Cn1cc(C[NH3+])c2cncnc21 83269535 169038214 /nfs/dbraw/zinc/03/82/14/169038214.db2.gz RUMVWHKZCHGPIT-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 ACAARO Cn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 11920305 169038241 /nfs/dbraw/zinc/03/82/41/169038241.db2.gz SGJNKGDXCYZVAT-JTQLQIEISA-N 1 0 195.266 0.689 50 0 ACAARO Cn1cc(C2CC2)nc1C(N)=[NH2+] 95644226 169038587 /nfs/dbraw/zinc/03/85/87/169038587.db2.gz VXUFPLYNKHGZPS-UHFFFAOYSA-N 1 0 164.212 0.582 50 0 ACAARO Cn1cc(C[NH2+]C[C@H]2CCCO2)cn1 11920306 169038693 /nfs/dbraw/zinc/03/86/93/169038693.db2.gz SGJNKGDXCYZVAT-SNVBAGLBSA-N 1 0 195.266 0.689 50 0 ACAARO Cn1cc(C[NH3+])c(C(F)(F)F)n1 40538468 169038854 /nfs/dbraw/zinc/03/88/54/169038854.db2.gz QGLGYTXANSSOOG-UHFFFAOYSA-N 1 0 179.145 0.898 50 0 in-vitro ACAARO Cn1cc(Cl)c(C[NH3+])n1 22637830 169039675 /nfs/dbraw/zinc/03/96/75/169039675.db2.gz AVFPNFRQNKKPCZ-UHFFFAOYSA-N 1 0 145.593 0.532 50 0 in-vitro ACAARO Cn1cc(N2CCC[C@H]([NH3+])C2)cn1 43470597 169039873 /nfs/dbraw/zinc/03/98/73/169039873.db2.gz ZZHPYRMKQBXJDI-QMMMGPOBSA-N 1 0 180.255 0.348 50 0 in-vitro ACAARO Cn1cc(C[C@H]2CC[NH2+]C2)cn1 70627773 169040012 /nfs/dbraw/zinc/04/00/12/169040012.db2.gz UHVAVFGZMDXVEG-MRVPVSSYSA-N 1 0 165.240 0.572 50 0 in-vitro ACAARO Cn1cc(N2CCC[C@@H]([NH3+])C2)cn1 43470599 169040372 /nfs/dbraw/zinc/04/03/72/169040372.db2.gz ZZHPYRMKQBXJDI-MRVPVSSYSA-N 1 0 180.255 0.348 50 0 in-vitro ACAARO Cn1cc(C[C@@H]2CC[NH2+]C2)cn1 70627772 169040424 /nfs/dbraw/zinc/04/04/24/169040424.db2.gz UHVAVFGZMDXVEG-QMMMGPOBSA-N 1 0 165.240 0.572 50 0 in-vitro ACAARO Cn1cc([C@H]([NH3+])c2cccnc2)cn1 20476754 169040988 /nfs/dbraw/zinc/04/09/88/169040988.db2.gz TUIRTOISXUJNHC-SNVBAGLBSA-N 1 0 188.234 0.863 50 0 ACAARO Cn1cc([C@@]2(C)C[NH2+]CCO2)cn1 75772250 169041016 /nfs/dbraw/zinc/04/10/16/169041016.db2.gz QZKNQIWHWNZUPG-SECBINFHSA-N 1 0 181.239 0.255 50 0 in-vitro ACAARO Cn1cc([C@@H]2C[C@H]2[NH3+])cn1 37381213 169041068 /nfs/dbraw/zinc/04/10/68/169041068.db2.gz GXFORHADAUJCPJ-NKWVEPMBSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1cc([C@@H]2C[NH2+]CCO2)cn1 72295119 169041074 /nfs/dbraw/zinc/04/10/74/169041074.db2.gz KSBIDPYAPFHSRG-QMMMGPOBSA-N 1 0 167.212 0.081 50 0 in-vitro ACAARO Cn1cc([C@@H]2C[C@H]2C[NH3+])cn1 54587037 169041220 /nfs/dbraw/zinc/04/12/20/169041220.db2.gz KWOSURSYQZBUNY-POYBYMJQSA-N 1 0 151.213 0.482 50 0 ACAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH3+])cn1 79248161 169041243 /nfs/dbraw/zinc/04/12/43/169041243.db2.gz BSDDZDZDSASPHS-VXNVDRBHSA-N 1 0 181.239 0.456 50 0 ACAARO Cn1cc([C@@H](O)C[C@@H]2CCC[NH2+]2)cn1 88613620 169041300 /nfs/dbraw/zinc/04/13/00/169041300.db2.gz WDVCKBJBQXWOPB-UWVGGRQHSA-N 1 0 195.266 0.596 50 0 in-vitro ACAARO Cn1cc([C@@H]2C[C@H]([NH3+])CCO2)cn1 69851080 169041348 /nfs/dbraw/zinc/04/13/48/169041348.db2.gz LUJBSCAJUSLCOU-BDAKNGLRSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cc([C@@H]2C[C@@H]2C[NH3+])cn1 54587034 169041542 /nfs/dbraw/zinc/04/15/42/169041542.db2.gz KWOSURSYQZBUNY-HTRCEHHLSA-N 1 0 151.213 0.482 50 0 ACAARO Cn1cc([C@@H]2CSCC[NH2+]2)cn1 82393729 169041567 /nfs/dbraw/zinc/04/15/67/169041567.db2.gz IUFIIULJYKCGLR-QMMMGPOBSA-N 1 0 183.280 0.798 50 0 in-vitro ACAARO Cn1cc([C@@H]2CC[NH2+]C2)cn1 50267024 169041577 /nfs/dbraw/zinc/04/15/77/169041577.db2.gz LLIDKFDJRJTVSN-SSDOTTSWSA-N 1 0 151.213 0.497 50 0 in-vitro ACAARO Cn1cc([C@@H]([NH3+])c2cccnc2)cn1 20476752 169041738 /nfs/dbraw/zinc/04/17/38/169041738.db2.gz TUIRTOISXUJNHC-JTQLQIEISA-N 1 0 188.234 0.863 50 0 ACAARO Cn1cc([C@@H]2CCC[NH2+]2)cn1 12398243 169041785 /nfs/dbraw/zinc/04/17/85/169041785.db2.gz VRQSNISBSWLYIN-QMMMGPOBSA-N 1 0 151.213 0.845 50 0 in-vitro ACAARO Cn1cc([C@@H]([NH3+])C2(CO)CCC2)cn1 241409001 169041979 /nfs/dbraw/zinc/04/19/79/169041979.db2.gz NDTCLHJOLSPMTE-SECBINFHSA-N 1 0 195.266 0.583 50 0 ACAARO Cn1cc([C@@H]2CCC[NH2+]C2)nn1 96862443 169042000 /nfs/dbraw/zinc/04/20/00/169042000.db2.gz CLPLMWLMIGUQJF-SSDOTTSWSA-N 1 0 166.228 0.282 50 0 ACAARO Cn1cc([C@@H](O)C[C@H]2CCC[NH2+]2)cn1 88613622 169042051 /nfs/dbraw/zinc/04/20/51/169042051.db2.gz WDVCKBJBQXWOPB-ZJUUUORDSA-N 1 0 195.266 0.596 50 0 in-vitro ACAARO Cn1cc([C@@H]2OCC[C@H]2C[NH3+])cn1 79248156 169042252 /nfs/dbraw/zinc/04/22/52/169042252.db2.gz BSDDZDZDSASPHS-IONNQARKSA-N 1 0 181.239 0.456 50 0 ACAARO Cn1cc([C@@H]2C[C@@H]2[NH3+])cn1 37381207 169042281 /nfs/dbraw/zinc/04/22/81/169042281.db2.gz GXFORHADAUJCPJ-BQBZGAKWSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1cc([C@H]([NH3+])C2(CO)CCC2)cn1 241409002 169042330 /nfs/dbraw/zinc/04/23/30/169042330.db2.gz NDTCLHJOLSPMTE-VIFPVBQESA-N 1 0 195.266 0.583 50 0 ACAARO Cn1cc([C@@H]2C[C@@H]([NH3+])CCO2)cn1 69851083 169042338 /nfs/dbraw/zinc/04/23/38/169042338.db2.gz LUJBSCAJUSLCOU-IUCAKERBSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cc([C@@H]2CCC[NH2+]C2)cn1 70204352 169042407 /nfs/dbraw/zinc/04/24/07/169042407.db2.gz CTNNCYGEVJOKGG-MRVPVSSYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1cc([C@H]2C[C@@H]([NH3+])CCO2)cn1 69851084 169042676 /nfs/dbraw/zinc/04/26/76/169042676.db2.gz LUJBSCAJUSLCOU-DTWKUNHWSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cc([C@H]2C[C@H]2C[NH3+])cn1 54587039 169042694 /nfs/dbraw/zinc/04/26/94/169042694.db2.gz KWOSURSYQZBUNY-XPUUQOCRSA-N 1 0 151.213 0.482 50 0 ACAARO Cn1cc([C@H]2C[NH2+]CCO2)cn1 72295120 169042710 /nfs/dbraw/zinc/04/27/10/169042710.db2.gz KSBIDPYAPFHSRG-MRVPVSSYSA-N 1 0 167.212 0.081 50 0 in-vitro ACAARO Cn1cc([C@H]2CSCC[NH2+]2)cn1 82393731 169042784 /nfs/dbraw/zinc/04/27/84/169042784.db2.gz IUFIIULJYKCGLR-MRVPVSSYSA-N 1 0 183.280 0.798 50 0 in-vitro ACAARO Cn1cc([C@]2(C)C[NH2+]CCO2)cn1 75772252 169042802 /nfs/dbraw/zinc/04/28/02/169042802.db2.gz QZKNQIWHWNZUPG-VIFPVBQESA-N 1 0 181.239 0.255 50 0 in-vitro ACAARO Cn1cc([C@H](O)C[C@@H]2CCC[NH2+]2)cn1 88613619 169042858 /nfs/dbraw/zinc/04/28/58/169042858.db2.gz WDVCKBJBQXWOPB-VHSXEESVSA-N 1 0 195.266 0.596 50 0 in-vitro ACAARO Cn1cc([C@H]2C[C@H]([NH3+])CCO2)cn1 69851082 169042878 /nfs/dbraw/zinc/04/28/78/169042878.db2.gz LUJBSCAJUSLCOU-RKDXNWHRSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cc([C@H]2C[C@@H]2[NH3+])cn1 37381210 169042897 /nfs/dbraw/zinc/04/28/97/169042897.db2.gz GXFORHADAUJCPJ-RQJHMYQMSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1cc([C@H]2C[C@@H]2C[NH3+])cn1 54587035 169042907 /nfs/dbraw/zinc/04/29/07/169042907.db2.gz KWOSURSYQZBUNY-SVRRBLITSA-N 1 0 151.213 0.482 50 0 ACAARO Cn1cc([C@H]2OCC[C@H]2C[NH3+])cn1 79248153 169042962 /nfs/dbraw/zinc/04/29/62/169042962.db2.gz BSDDZDZDSASPHS-CBAPKCEASA-N 1 0 181.239 0.456 50 0 ACAARO Cn1cc([C@H]2CCC[NH2+]C2)cn1 70204355 169043028 /nfs/dbraw/zinc/04/30/28/169043028.db2.gz CTNNCYGEVJOKGG-QMMMGPOBSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1cc([C@H]2C[C@H]2[NH3+])cn1 37381216 169043220 /nfs/dbraw/zinc/04/32/20/169043220.db2.gz GXFORHADAUJCPJ-RNFRBKRXSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1cc2c(n1)CC[NH2+]C2 34764688 169043248 /nfs/dbraw/zinc/04/32/48/169043248.db2.gz PXFVJRYQSXKFJX-UHFFFAOYSA-N 1 0 137.186 0.066 50 0 in-vitro ACAARO Cn1cc([C@H]2CCC[NH2+]C2)nn1 82852371 169043291 /nfs/dbraw/zinc/04/32/91/169043291.db2.gz CLPLMWLMIGUQJF-ZETCQYMHSA-N 1 0 166.228 0.282 50 0 ACAARO Cn1cc([C@H]2CCC[NH2+]2)cn1 12398245 169043403 /nfs/dbraw/zinc/04/34/03/169043403.db2.gz VRQSNISBSWLYIN-MRVPVSSYSA-N 1 0 151.213 0.845 50 0 in-vitro ACAARO Cn1cc2c(n1)CCC[C@@H]2[NH3+] 82408045 169043599 /nfs/dbraw/zinc/04/35/99/169043599.db2.gz NKDOKIULLAFEID-ZETCQYMHSA-N 1 0 151.213 0.756 50 0 in-vitro ACAARO Cn1cc([C@H](O)C[C@H]2CCC[NH2+]2)cn1 88613621 169043724 /nfs/dbraw/zinc/04/37/24/169043724.db2.gz WDVCKBJBQXWOPB-NXEZZACHSA-N 1 0 195.266 0.596 50 0 in-vitro ACAARO Cn1cc([C@H]2OCC[C@@H]2C[NH3+])cn1 79248159 169043733 /nfs/dbraw/zinc/04/37/33/169043733.db2.gz BSDDZDZDSASPHS-APPZFPTMSA-N 1 0 181.239 0.456 50 0 ACAARO Cn1cc2c(n1)CCC[C@H]2[NH3+] 82408046 169043825 /nfs/dbraw/zinc/04/38/25/169043825.db2.gz NKDOKIULLAFEID-SSDOTTSWSA-N 1 0 151.213 0.756 50 0 in-vitro ACAARO Cn1cc([C@H]2CC[NH2+]C2)cn1 50267025 169043921 /nfs/dbraw/zinc/04/39/21/169043921.db2.gz LLIDKFDJRJTVSN-ZETCQYMHSA-N 1 0 151.213 0.497 50 0 in-vitro ACAARO Cn1ccc(CCC[NH3+])n1 82837674 169044348 /nfs/dbraw/zinc/04/43/48/169044348.db2.gz KVZSKSMTEUMSLT-UHFFFAOYSA-N 1 0 139.202 0.311 50 0 ACAARO Cn1ccc(C[NH3+])c1 71495172 169044552 /nfs/dbraw/zinc/04/45/52/169044552.db2.gz ZAOLDHBNVDOBDU-UHFFFAOYSA-N 1 0 110.160 0.484 50 0 in-vitro ACAARO Cn1ccc(=[NH2+])cc1 330933 169044824 /nfs/dbraw/zinc/04/48/24/169044824.db2.gz JWTVWQUUKNZIHH-UHFFFAOYSA-N 1 0 108.144 0.505 50 0 ACAARO Cn1ccc(C2([NH3+])CC2)n1 82837025 169045024 /nfs/dbraw/zinc/04/50/24/169045024.db2.gz MELJMIVILPLHSK-UHFFFAOYSA-N 1 0 137.186 0.368 50 0 ACAARO Cn1ccc([C@H]2CCC[NH2+]2)n1 12397596 169046537 /nfs/dbraw/zinc/04/65/37/169046537.db2.gz VLEDIUXXQKUSRF-SSDOTTSWSA-N 1 0 151.213 0.845 50 0 ACAARO Cn1ccc([C@@H]2CCC[NH2+]2)n1 12397594 169047122 /nfs/dbraw/zinc/04/71/22/169047122.db2.gz VLEDIUXXQKUSRF-ZETCQYMHSA-N 1 0 151.213 0.845 50 0 ACAARO Cn1ccc2c1CC[NH2+]C2 26056770 169047875 /nfs/dbraw/zinc/04/78/75/169047875.db2.gz JLMLWTWDUVBDER-UHFFFAOYSA-N 1 0 136.198 0.671 50 0 ACAARO Cn1ccc2c1C[NH2+]CC2 26056788 169047891 /nfs/dbraw/zinc/04/78/91/169047891.db2.gz ZUAUMVVHFYDLGK-UHFFFAOYSA-N 1 0 136.198 0.671 50 0 in-vitro ACAARO Cn1ccc2c[nH+]c(N)nc21 82408761 169047910 /nfs/dbraw/zinc/04/79/10/169047910.db2.gz PLFJIINDKIPKEN-UHFFFAOYSA-N 1 0 148.169 0.551 50 0 ACAARO Cn1cccc1C(=O)N1CC[NH2+]CC1 9494322 169048318 /nfs/dbraw/zinc/04/83/18/169048318.db2.gz DTSCVYQDGZJOEN-UHFFFAOYSA-N 1 0 193.250 0.071 50 0 in-vitro ACAARO Cn1cccc1[C@H](O)C[NH3+] 21949090 169049342 /nfs/dbraw/zinc/04/93/42/169049342.db2.gz YPEDCPNXDIGKFP-SSDOTTSWSA-N 1 0 140.186 0.017 50 0 in-vitro ACAARO Cn1cccc1CC[NH3+] 20520741 169049720 /nfs/dbraw/zinc/04/97/20/169049720.db2.gz ITFDYXKCBZEBDG-UHFFFAOYSA-N 1 0 124.187 0.526 50 0 in-vitro ACAARO Cn1cccc1C[NH3+] 158567 169049766 /nfs/dbraw/zinc/04/97/66/169049766.db2.gz GGCBARJYVAPZJQ-UHFFFAOYSA-N 1 0 110.160 0.484 50 0 in-vitro ACAARO Cn1cccc1[C@@H]1COCC[NH2+]1 82852069 169050100 /nfs/dbraw/zinc/05/01/00/169050100.db2.gz VQDSLKBTXFPOMG-QMMMGPOBSA-N 1 0 166.224 0.686 50 0 in-vitro ACAARO Cn1cccc1[C@@H](O)C[NH3+] 21949088 169050175 /nfs/dbraw/zinc/05/01/75/169050175.db2.gz YPEDCPNXDIGKFP-ZETCQYMHSA-N 1 0 140.186 0.017 50 0 in-vitro ACAARO Cn1cccc1[C@H]1COCC[NH2+]1 82855787 169050380 /nfs/dbraw/zinc/05/03/80/169050380.db2.gz VQDSLKBTXFPOMG-MRVPVSSYSA-N 1 0 166.224 0.686 50 0 in-vitro ACAARO Cn1ccnc1CCC[NH3+] 44279983 169050746 /nfs/dbraw/zinc/05/07/46/169050746.db2.gz RBLFLGWPHLVQCB-UHFFFAOYSA-N 1 0 139.202 0.311 50 0 ACAARO Cn1ccnc1C1=CC[NH2+]CC1 33487521 169050824 /nfs/dbraw/zinc/05/08/24/169050824.db2.gz NAGXQVCAQNMXDR-UHFFFAOYSA-N 1 0 163.224 0.797 50 0 ACAARO Cn1ccnc1C[C@@H]1CCC[NH2+]C1 69029983 169050874 /nfs/dbraw/zinc/05/08/74/169050874.db2.gz BXKXDENMWGGULO-VIFPVBQESA-N 1 0 179.267 0.962 50 0 in-vitro ACAARO Cn1ccnc1C[C@@H]1CCC[NH2+]1 72187560 169050981 /nfs/dbraw/zinc/05/09/81/169050981.db2.gz XSIFJWVIGIKOQY-QMMMGPOBSA-N 1 0 165.240 0.715 50 0 ACAARO Cn1cc[nH+]c1N 13354637 169051667 /nfs/dbraw/zinc/05/16/67/169051667.db2.gz NQCJWEXYVVFKBT-UHFFFAOYSA-N 1 0 97.121 0.002 50 0 in-vitro ACAARO Cn1ccnc1C(=O)[C@@H]1CCC[NH2+]C1 19088750 169051692 /nfs/dbraw/zinc/05/16/92/169051692.db2.gz MTHKDOTZRBJKEB-MRVPVSSYSA-N 1 0 193.250 0.602 50 0 ACAARO Cn1ccnc1C[NH2+]C[C@@H]1CCCO1 4243957 169051729 /nfs/dbraw/zinc/05/17/29/169051729.db2.gz YAFGOFIYGXZPAA-VIFPVBQESA-N 1 0 195.266 0.689 50 0 ACAARO Cn1ccnc1N1CCC[C@H]([NH3+])C1 50606871 169051874 /nfs/dbraw/zinc/05/18/74/169051874.db2.gz FUDUQFLCSOOKNQ-QMMMGPOBSA-N 1 0 180.255 0.348 50 0 ACAARO Cn1ccnc1C1CC[NH2+]CC1 33487578 169051891 /nfs/dbraw/zinc/05/18/91/169051891.db2.gz RBCWEOIVHCTFFN-UHFFFAOYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1ccnc1C[C@H]1CCC[NH2+]C1 69029987 169052047 /nfs/dbraw/zinc/05/20/47/169052047.db2.gz BXKXDENMWGGULO-SECBINFHSA-N 1 0 179.267 0.962 50 0 in-vitro ACAARO Cn1ccnc1N1CCC[C@@H]([NH3+])C1 50606872 169052050 /nfs/dbraw/zinc/05/20/50/169052050.db2.gz FUDUQFLCSOOKNQ-MRVPVSSYSA-N 1 0 180.255 0.348 50 0 ACAARO Cn1ccnc1CN1CCC[NH2+]CC1 36903376 169052069 /nfs/dbraw/zinc/05/20/69/169052069.db2.gz HOJXKEGNUNGNOV-UHFFFAOYSA-N 1 0 194.282 0.215 50 0 in-vitro ACAARO Cn1ccnc1CC1CC[NH2+]CC1 68890489 169052246 /nfs/dbraw/zinc/05/22/46/169052246.db2.gz CNVSSLCZASAXNR-UHFFFAOYSA-N 1 0 179.267 0.962 50 0 in-vitro ACAARO Cn1ccnc1C(=O)[C@H]1CCC[NH2+]C1 19088752 169052255 /nfs/dbraw/zinc/05/22/55/169052255.db2.gz MTHKDOTZRBJKEB-QMMMGPOBSA-N 1 0 193.250 0.602 50 0 ACAARO Cn1ccnc1C[NH2+]C[C@H]1CCCO1 4243958 169052257 /nfs/dbraw/zinc/05/22/57/169052257.db2.gz YAFGOFIYGXZPAA-SECBINFHSA-N 1 0 195.266 0.689 50 0 ACAARO Cn1ccnc1C[NH2+]C1CC1 15635639 169052311 /nfs/dbraw/zinc/05/23/11/169052311.db2.gz UREQTTWCQRGANM-UHFFFAOYSA-N 1 0 151.213 0.672 50 0 in-vitro ACAARO Cn1ccnc1N1CCC([NH3+])CC1 50605010 169052315 /nfs/dbraw/zinc/05/23/15/169052315.db2.gz NXRBGAITLVNBCF-UHFFFAOYSA-N 1 0 180.255 0.348 50 0 ACAARO Cn1ccnc1C[C@H]1CCC[NH2+]1 72187561 169053029 /nfs/dbraw/zinc/05/30/29/169053029.db2.gz XSIFJWVIGIKOQY-MRVPVSSYSA-N 1 0 165.240 0.715 50 0 ACAARO Cn1ccnc1[C@@H]1C[C@H]([NH3+])CCO1 299805190 169053088 /nfs/dbraw/zinc/05/30/88/169053088.db2.gz BZFBHNLGVKEULM-SFYZADRCSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1ccnc1[C@@H]1CCC[NH2+]1 20418088 169053138 /nfs/dbraw/zinc/05/31/38/169053138.db2.gz JKAHTWBETQEAAS-ZETCQYMHSA-N 1 0 151.213 0.845 50 0 in-vitro ACAARO Cn1ccnc1[C@@H](O)[C@@H]1CCC[NH2+]C1 82162679 169053183 /nfs/dbraw/zinc/05/31/83/169053183.db2.gz QURDQNIRJVSKQD-BDAKNGLRSA-N 1 0 195.266 0.453 50 0 in-vitro ACAARO Cn1ccnc1[C@H]([NH3+])C1CC1 11848554 169053292 /nfs/dbraw/zinc/05/32/92/169053292.db2.gz UQAHJVSDSGXTPI-SSDOTTSWSA-N 1 0 151.213 0.830 50 0 in-vitro ACAARO Cn1ccnc1[C@H]([NH3+])C(C)(C)CO 238854766 169053349 /nfs/dbraw/zinc/05/33/49/169053349.db2.gz PGJODJKIUFOAFD-ZETCQYMHSA-N 1 0 183.255 0.438 50 0 ACAARO Cn1ccnc1[C@H](O)[C@@H]1CCC[NH2+]C1 82162677 169053391 /nfs/dbraw/zinc/05/33/91/169053391.db2.gz QURDQNIRJVSKQD-RKDXNWHRSA-N 1 0 195.266 0.453 50 0 in-vitro ACAARO Cn1ccnc1[C@H]1CCC[NH2+]1 20418091 169053404 /nfs/dbraw/zinc/05/34/04/169053404.db2.gz JKAHTWBETQEAAS-SSDOTTSWSA-N 1 0 151.213 0.845 50 0 in-vitro ACAARO Cn1ccnc1SCC[NH3+] 3888428 169053426 /nfs/dbraw/zinc/05/34/26/169053426.db2.gz VEUQTALDNNAJHS-UHFFFAOYSA-N 1 0 157.242 0.471 50 0 in-vitro ACAARO Cn1ccnc1[C@H]1OCC[C@@H]1[NH3+] 98096580 169053454 /nfs/dbraw/zinc/05/34/54/169053454.db2.gz YLFNQHRIQYXGRF-BQBZGAKWSA-N 1 0 167.212 0.209 50 0 ACAARO Cn1ccnc1[C@@H]1CC[NH2+]C1 82841083 169053499 /nfs/dbraw/zinc/05/34/99/169053499.db2.gz WGKTZHNTSOLEDU-SSDOTTSWSA-N 1 0 151.213 0.497 50 0 in-vitro ACAARO Cn1ccnc1[C@H]([NH3+])C1CCOCC1 83719439 169053558 /nfs/dbraw/zinc/05/35/58/169053558.db2.gz GHHQGGXVXZZQRG-SECBINFHSA-N 1 0 195.266 0.847 50 0 in-vitro ACAARO Cn1ccnc1[C@H]1CCC[NH2+]C1 82522686 169053634 /nfs/dbraw/zinc/05/36/34/169053634.db2.gz TVXNSQHRUUOLPT-QMMMGPOBSA-N 1 0 165.240 0.887 50 0 ACAARO Cn1ccnc1[C@@H]([NH3+])C1CC1 11848553 169053802 /nfs/dbraw/zinc/05/38/02/169053802.db2.gz UQAHJVSDSGXTPI-ZETCQYMHSA-N 1 0 151.213 0.830 50 0 in-vitro ACAARO Cn1ccnc1[C@@H]([NH3+])C1CCOCC1 83719441 169053916 /nfs/dbraw/zinc/05/39/16/169053916.db2.gz GHHQGGXVXZZQRG-VIFPVBQESA-N 1 0 195.266 0.847 50 0 in-vitro ACAARO Cn1ccnc1[C@@H](O)C1CC[NH2+]CC1 14807853 169054067 /nfs/dbraw/zinc/05/40/67/169054067.db2.gz BJMLIKMTFQKDFH-VIFPVBQESA-N 1 0 195.266 0.453 50 0 ACAARO Cn1ccnc1[C@@H]([NH3+])C(C)(C)CO 238854765 169054077 /nfs/dbraw/zinc/05/40/77/169054077.db2.gz PGJODJKIUFOAFD-SSDOTTSWSA-N 1 0 183.255 0.438 50 0 ACAARO Cn1ccnc1[C@@H]1CCC[NH2+]C1 82522685 169054124 /nfs/dbraw/zinc/05/41/24/169054124.db2.gz TVXNSQHRUUOLPT-MRVPVSSYSA-N 1 0 165.240 0.887 50 0 ACAARO Cn1ccnc1[C@H]1C[C@@H]([NH3+])CCO1 299805189 169054126 /nfs/dbraw/zinc/05/41/26/169054126.db2.gz BZFBHNLGVKEULM-JGVFFNPUSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1ccnc1[C@@H]1C[C@@H]([NH3+])CCO1 299805191 169054251 /nfs/dbraw/zinc/05/42/51/169054251.db2.gz BZFBHNLGVKEULM-YUMQZZPRSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1ccnc1[C@H](O)C1CC[NH2+]CC1 14807857 169054254 /nfs/dbraw/zinc/05/42/54/169054254.db2.gz BJMLIKMTFQKDFH-SECBINFHSA-N 1 0 195.266 0.453 50 0 ACAARO Cn1ccnc1[C@H](O)[C@H]1CCC[NH2+]C1 82162682 169054306 /nfs/dbraw/zinc/05/43/06/169054306.db2.gz QURDQNIRJVSKQD-DTWKUNHWSA-N 1 0 195.266 0.453 50 0 in-vitro ACAARO Cn1ccnc1[C@H]1CC[NH2+]C1 82841085 169054358 /nfs/dbraw/zinc/05/43/58/169054358.db2.gz WGKTZHNTSOLEDU-ZETCQYMHSA-N 1 0 151.213 0.497 50 0 in-vitro ACAARO Cn1ccnc1[C@H]1C[C@H]([NH3+])CCO1 299805188 169054480 /nfs/dbraw/zinc/05/44/80/169054480.db2.gz BZFBHNLGVKEULM-HTQZYQBOSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1ccnc1[C@@H](O)[C@H]1CCC[NH2+]C1 82162684 169054714 /nfs/dbraw/zinc/05/47/14/169054714.db2.gz QURDQNIRJVSKQD-IUCAKERBSA-N 1 0 195.266 0.453 50 0 in-vitro ACAARO Cn1cnc(C2([NH3+])CC2)c1 82413770 169055868 /nfs/dbraw/zinc/05/58/68/169055868.db2.gz JNESDSJCNNIMQA-UHFFFAOYSA-N 1 0 137.186 0.368 50 0 ACAARO Cn1cnc2c1C[NH2+]CC2 26057021 169055936 /nfs/dbraw/zinc/05/59/36/169055936.db2.gz ZLEYOATWOLMVOE-UHFFFAOYSA-N 1 0 137.186 0.066 50 0 in-vitro ACAARO Cn1cnc(CCC[NH3+])c1 34071262 169056384 /nfs/dbraw/zinc/05/63/84/169056384.db2.gz MLZSYTYGLAPTKT-UHFFFAOYSA-N 1 0 139.202 0.311 50 0 ACAARO Cn1cnc2c1CC[NH2+]C2 519556 169056641 /nfs/dbraw/zinc/05/66/41/169056641.db2.gz MSSJBRXYLYSRLI-UHFFFAOYSA-N 1 0 137.186 0.066 50 0 biogenic,in-vitro ACAARO Cn1cncc1[C@H]1CCC[NH2+]C1 96862951 169057091 /nfs/dbraw/zinc/05/70/91/169057091.db2.gz PBRUBQUSRYGJFR-QMMMGPOBSA-N 1 0 165.240 0.887 50 0 ACAARO Cn1c[nH+]cc1N 13354653 169057189 /nfs/dbraw/zinc/05/71/89/169057189.db2.gz JKYQSWDQLDFSSJ-UHFFFAOYSA-N 1 0 97.121 0.002 50 0 in-vitro ACAARO Cn1cncc1[C@H]1C[C@@H]([NH3+])CCO1 85182509 169057535 /nfs/dbraw/zinc/05/75/35/169057535.db2.gz UROOQQFWCQYSFT-IONNQARKSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cncc1[C@H]1C[C@H]([NH3+])CCO1 85182506 169057679 /nfs/dbraw/zinc/05/76/79/169057679.db2.gz UROOQQFWCQYSFT-VXNVDRBHSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cncc1[C@@H]1C[C@H]([NH3+])CCO1 85182504 169058044 /nfs/dbraw/zinc/05/80/44/169058044.db2.gz UROOQQFWCQYSFT-APPZFPTMSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cncc1[C@@H]1C[C@H]1[NH3+] 19116598 169058112 /nfs/dbraw/zinc/05/81/12/169058112.db2.gz OUDIBYCCQHARGQ-PHDIDXHHSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1cncc1[C@@H]1C[C@@H]([NH3+])CCO1 85182507 169058315 /nfs/dbraw/zinc/05/83/15/169058315.db2.gz UROOQQFWCQYSFT-CBAPKCEASA-N 1 0 181.239 0.599 50 0 ACAARO Cn1cncc1C1([NH3+])CC1 82837012 169058410 /nfs/dbraw/zinc/05/84/10/169058410.db2.gz MAJXHKRIMNJVDR-UHFFFAOYSA-N 1 0 137.186 0.368 50 0 in-vitro ACAARO Cn1cncc1C1CC[NH2+]CC1 19686476 169058479 /nfs/dbraw/zinc/05/84/79/169058479.db2.gz GTVAWADYFXSYNA-UHFFFAOYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1cncc1[C@@H]1CCC[NH2+]C1 96862950 169058823 /nfs/dbraw/zinc/05/88/23/169058823.db2.gz PBRUBQUSRYGJFR-MRVPVSSYSA-N 1 0 165.240 0.887 50 0 ACAARO Cn1cnnc1C1CC[NH2+]CC1 12997581 169059119 /nfs/dbraw/zinc/05/91/19/169059119.db2.gz LBGLYAJNIDZGGO-UHFFFAOYSA-N 1 0 166.228 0.282 50 0 in-vitro ACAARO Cn1cnnc1S[C@H]1CC[NH2+]C1 51783987 169059188 /nfs/dbraw/zinc/05/91/88/169059188.db2.gz YPMXFMMXGGCDDI-LURJTMIESA-N 1 0 184.268 0.269 50 0 ACAARO Cn1cnnc1[C@@H]1CCC[NH2+]C1 12480218 169059216 /nfs/dbraw/zinc/05/92/16/169059216.db2.gz FJEIRKHYFRMBAB-SSDOTTSWSA-N 1 0 166.228 0.282 50 0 in-vitro ACAARO Cn1cnnc1SC[C@@H]1CCC[NH2+]1 43497158 169059229 /nfs/dbraw/zinc/05/92/29/169059229.db2.gz AHBPFFHUAHKTKS-ZETCQYMHSA-N 1 0 198.295 0.659 50 0 ACAARO Cn1cnnc1[C@@H]1CCCC[NH2+]1 52345148 169059546 /nfs/dbraw/zinc/05/95/46/169059546.db2.gz YLICHTZAMDDIIM-ZETCQYMHSA-N 1 0 166.228 0.630 50 0 ACAARO Cn1cnnc1[C@H]1CCC[NH2+]C1 12480223 169059740 /nfs/dbraw/zinc/05/97/40/169059740.db2.gz FJEIRKHYFRMBAB-ZETCQYMHSA-N 1 0 166.228 0.282 50 0 in-vitro ACAARO Cn1cnnc1[C@H]1CCCC[NH2+]1 52345149 169059745 /nfs/dbraw/zinc/05/97/45/169059745.db2.gz YLICHTZAMDDIIM-SSDOTTSWSA-N 1 0 166.228 0.630 50 0 ACAARO Cn1cnnc1CC1CC[NH2+]CC1 86573480 169059810 /nfs/dbraw/zinc/05/98/10/169059810.db2.gz QGMPFYPCBHTCDE-UHFFFAOYSA-N 1 0 180.255 0.357 50 0 ACAARO Cn1cnnc1[C@@H]1CCC[NH2+]1 19686296 169059820 /nfs/dbraw/zinc/05/98/20/169059820.db2.gz XDUNSNMMXUKPIN-LURJTMIESA-N 1 0 152.201 0.240 50 0 in-vitro ACAARO Cn1cnnc1SC[C@H]1CCC[NH2+]1 43497161 169059956 /nfs/dbraw/zinc/05/99/56/169059956.db2.gz AHBPFFHUAHKTKS-SSDOTTSWSA-N 1 0 198.295 0.659 50 0 ACAARO Cn1cnnc1S[C@@H]1CC[NH2+]C1 51783986 169059959 /nfs/dbraw/zinc/05/99/59/169059959.db2.gz YPMXFMMXGGCDDI-ZCFIWIBFSA-N 1 0 184.268 0.269 50 0 ACAARO Cn1n[n+](C)c2ccccc21 2015439 169059998 /nfs/dbraw/zinc/05/99/98/169059998.db2.gz QQDVFOZMSGQRBG-UHFFFAOYSA-N 1 0 148.189 0.398 50 0 ACAARO Cn1cnnc1SC1CC[NH2+]CC1 43501251 169060128 /nfs/dbraw/zinc/06/01/28/169060128.db2.gz VCNLDCOQZZUSPQ-UHFFFAOYSA-N 1 0 198.295 0.659 50 0 ACAARO Cn1cnnc1[C@H]1CCC[NH2+]1 19686298 169060132 /nfs/dbraw/zinc/06/01/32/169060132.db2.gz XDUNSNMMXUKPIN-ZCFIWIBFSA-N 1 0 152.201 0.240 50 0 in-vitro ACAARO Cn1cnnc1C1(C)CC[NH2+]CC1 62843471 169060192 /nfs/dbraw/zinc/06/01/92/169060192.db2.gz HKQOGHGDNGWMIF-UHFFFAOYSA-N 1 0 180.255 0.456 50 0 ACAARO Cn1nc(C[NH3+])c2c1CCCC2 20270532 169060764 /nfs/dbraw/zinc/06/07/64/169060764.db2.gz XNGHXSWRWARUCX-UHFFFAOYSA-N 1 0 165.240 0.758 50 0 ACAARO Cn1nc(C2C[NH2+]C2)c2nccnc21 72343716 169060811 /nfs/dbraw/zinc/06/08/11/169060811.db2.gz UHFMWNPQXSZJHH-UHFFFAOYSA-N 1 0 189.222 0.050 50 0 ACAARO Cn1nc(C2C[NH2+]C2)c2cccnc21 19686514 169060947 /nfs/dbraw/zinc/06/09/47/169060947.db2.gz ATVVKVJIINQOII-UHFFFAOYSA-N 1 0 188.234 0.655 50 0 ACAARO Cn1nc(C[NH3+])c2cccnc21 95742737 169060962 /nfs/dbraw/zinc/06/09/62/169060962.db2.gz HREGMTNONUYXHY-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 in-vitro ACAARO Cn1nc(C[NH3+])c2ccccc2c1=O 193381 169061097 /nfs/dbraw/zinc/06/10/97/169061097.db2.gz XXIJSLHCIXQDON-UHFFFAOYSA-N 1 0 189.218 0.392 50 0 ACAARO Cn1nc(C2CC[NH2+]CC2)cc1N 75914041 169061407 /nfs/dbraw/zinc/06/14/07/169061407.db2.gz CGWDFVNDHIONNG-UHFFFAOYSA-N 1 0 180.255 0.469 50 0 ACAARO Cn1nc(C[NH3+])cc1C(F)(F)F 72336345 169061458 /nfs/dbraw/zinc/06/14/58/169061458.db2.gz IQMWXLQPKICYKP-UHFFFAOYSA-N 1 0 179.145 0.898 50 0 ACAARO Cn1nc(C(F)(F)F)cc1C(N)=[NH2+] 75847941 169061644 /nfs/dbraw/zinc/06/16/44/169061644.db2.gz ODROPSAKHNOFOV-UHFFFAOYSA-N 1 0 192.144 0.723 50 0 ACAARO Cn1nc(C2CC2)cc1C[NH3+] 26510653 169061704 /nfs/dbraw/zinc/06/17/04/169061704.db2.gz HUOJCVIQWIMKBU-UHFFFAOYSA-N 1 0 151.213 0.756 50 0 ACAARO Cn1nc(C[NH3+])cc1C1CC1 26510667 169062191 /nfs/dbraw/zinc/06/21/91/169062191.db2.gz CESKEMSAVOEDCK-UHFFFAOYSA-N 1 0 151.213 0.756 50 0 ACAARO Cn1nc(C(F)(F)F)cc1C[NH3+] 72209521 169062228 /nfs/dbraw/zinc/06/22/28/169062228.db2.gz BFJJRLFTZRCIRT-UHFFFAOYSA-N 1 0 179.145 0.898 50 0 in-vitro ACAARO Cn1nc([C@H]2CC[NH2+]C2)cc1CCO 19686673 169062651 /nfs/dbraw/zinc/06/26/51/169062651.db2.gz FRJNFVPCWHAKSX-QMMMGPOBSA-N 1 0 195.266 0.032 50 0 ACAARO Cn1nc([C@@H]2CC[NH2+]C2)cc1CCO 19686671 169063170 /nfs/dbraw/zinc/06/31/70/169063170.db2.gz FRJNFVPCWHAKSX-MRVPVSSYSA-N 1 0 195.266 0.032 50 0 ACAARO Cn1ncc(C[NH3+])c1C(F)(F)F 82164088 169063258 /nfs/dbraw/zinc/06/32/58/169063258.db2.gz RGUPLHDFRSTMGI-UHFFFAOYSA-N 1 0 179.145 0.898 50 0 ACAARO Cn1nc2c(c1C[NH3+])CCCC2 75844954 169063554 /nfs/dbraw/zinc/06/35/54/169063554.db2.gz MAANHVTZLCGSLR-UHFFFAOYSA-N 1 0 165.240 0.758 50 0 ACAARO Cn1nc2ccccc2c1C(N)=[NH2+] 75847923 169063657 /nfs/dbraw/zinc/06/36/57/169063657.db2.gz QIRRQBSKQFFVCS-UHFFFAOYSA-N 1 0 174.207 0.857 50 0 ACAARO Cn1ncc(Br)c1C[NH3+] 2537528 169064146 /nfs/dbraw/zinc/06/41/46/169064146.db2.gz STMQILHOIXHTQS-UHFFFAOYSA-N 1 0 190.044 0.641 50 0 in-vitro ACAARO Cn1ncc(Cl)c1C[NH3+] 2537600 169064911 /nfs/dbraw/zinc/06/49/11/169064911.db2.gz RZXLCHNMSSOLHE-UHFFFAOYSA-N 1 0 145.593 0.532 50 0 ACAARO Cn1ncc2cc(C[NH3+])cnc21 82582927 169065157 /nfs/dbraw/zinc/06/51/57/169065157.db2.gz DMNAUFDGIJTOTG-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 ACAARO Cn1ncc2c1CC[NH2+]C2 26056887 169065366 /nfs/dbraw/zinc/06/53/66/169065366.db2.gz QXSMCHPCLANISC-UHFFFAOYSA-N 1 0 137.186 0.066 50 0 in-vitro ACAARO Cn1ncc2c1CCC[C@H]2[NH3+] 20282828 169065411 /nfs/dbraw/zinc/06/54/11/169065411.db2.gz QDECMLXPLVRYBO-SSDOTTSWSA-N 1 0 151.213 0.756 50 0 in-vitro ACAARO Cn1ncc2c1C[NH2+]C2 20445708 169065711 /nfs/dbraw/zinc/06/57/11/169065711.db2.gz ZPRTZMMXOLTYSI-UHFFFAOYSA-N 1 0 123.159 0.023 50 0 in-vitro ACAARO Cn1ncc2c1CCC[NH2+]C2 84307101 169065891 /nfs/dbraw/zinc/06/58/91/169065891.db2.gz KWEVSQUHBXYCKQ-UHFFFAOYSA-N 1 0 151.213 0.456 50 0 ACAARO Cn1ncc2c1C[NH2+]CC2 26056903 169066171 /nfs/dbraw/zinc/06/61/71/169066171.db2.gz MHVQVYBLIGHWMX-UHFFFAOYSA-N 1 0 137.186 0.066 50 0 in-vitro ACAARO Cn1ncc2c1CCC[C@@H]2[NH3+] 20282825 169066329 /nfs/dbraw/zinc/06/63/29/169066329.db2.gz QDECMLXPLVRYBO-ZETCQYMHSA-N 1 0 151.213 0.756 50 0 in-vitro ACAARO Cn1nccc1[C@@H]1C[NH2+]CCO1 82852956 169067232 /nfs/dbraw/zinc/06/72/32/169067232.db2.gz IHUUUXDJWBUGQS-QMMMGPOBSA-N 1 0 167.212 0.081 50 0 in-vitro ACAARO Cn1nccc1[C@H]1CCC[NH2+]1 12397588 169067438 /nfs/dbraw/zinc/06/74/38/169067438.db2.gz HJMDKIXQKXDUMY-SSDOTTSWSA-N 1 0 151.213 0.845 50 0 ACAARO Cn1nccc1[C@H]1CCC[NH2+]C1 57214410 169067492 /nfs/dbraw/zinc/06/74/92/169067492.db2.gz KFLUIGJBFHESJJ-QMMMGPOBSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1nccc1[C@H]1C[C@H]([NH3+])CCO1 164796047 169067628 /nfs/dbraw/zinc/06/76/28/169067628.db2.gz FSYSYUOZJAUBEU-VXNVDRBHSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1nccc1[C@H]1C[NH2+]CCO1 82852957 169067893 /nfs/dbraw/zinc/06/78/93/169067893.db2.gz IHUUUXDJWBUGQS-MRVPVSSYSA-N 1 0 167.212 0.081 50 0 in-vitro ACAARO Cn1nccc1[C@@H]1C[C@@H]([NH3+])CCO1 164796169 169067958 /nfs/dbraw/zinc/06/79/58/169067958.db2.gz FSYSYUOZJAUBEU-CBAPKCEASA-N 1 0 181.239 0.599 50 0 ACAARO Cn1nnc(C[NH3+])c1C(F)(F)F 62299056 169067988 /nfs/dbraw/zinc/06/79/88/169067988.db2.gz PCIXDRYTVFHGIA-UHFFFAOYSA-N 1 0 180.133 0.293 50 0 ACAARO Cn1nccc1[C@H]1C[C@H]1[NH3+] 19116732 169068035 /nfs/dbraw/zinc/06/80/35/169068035.db2.gz DXTZKKDLNJEDLN-NTSWFWBYSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1ncnc1[C@@H]([NH3+])C1CC1 19091733 169068101 /nfs/dbraw/zinc/06/81/01/169068101.db2.gz KMDDVVPUAMQTNR-LURJTMIESA-N 1 0 152.201 0.225 50 0 ACAARO Cn1nccc1[C@H]1CC[NH2+]C1 82407934 169068226 /nfs/dbraw/zinc/06/82/26/169068226.db2.gz PZNBWWUBSBNMEC-ZETCQYMHSA-N 1 0 151.213 0.497 50 0 ACAARO Cn1nccc1[C@@H]1CCC[NH2+]1 12397586 169068242 /nfs/dbraw/zinc/06/82/42/169068242.db2.gz HJMDKIXQKXDUMY-ZETCQYMHSA-N 1 0 151.213 0.845 50 0 ACAARO Cn1nccc1[C@@H]1CCC[NH2+]C1 57214408 169068273 /nfs/dbraw/zinc/06/82/73/169068273.db2.gz KFLUIGJBFHESJJ-MRVPVSSYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO Cn1nccc1[C@H]1C[C@@H]1[NH3+] 19116726 169068351 /nfs/dbraw/zinc/06/83/51/169068351.db2.gz DXTZKKDLNJEDLN-WDSKDSINSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1nccc1[C@@H]1C[C@@H]1[NH3+] 19116723 169068353 /nfs/dbraw/zinc/06/83/53/169068353.db2.gz DXTZKKDLNJEDLN-RITPCOANSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1nccc1[C@@H]1C[C@H]([NH3+])CCO1 164795941 169068378 /nfs/dbraw/zinc/06/83/78/169068378.db2.gz FSYSYUOZJAUBEU-APPZFPTMSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1nccc1[C@@H]1C[C@H]1[NH3+] 19116729 169068411 /nfs/dbraw/zinc/06/84/11/169068411.db2.gz DXTZKKDLNJEDLN-PHDIDXHHSA-N 1 0 137.186 0.235 50 0 ACAARO Cn1nccc1[C@H]1C[C@@H]([NH3+])CCO1 164796286 169068414 /nfs/dbraw/zinc/06/84/14/169068414.db2.gz FSYSYUOZJAUBEU-IONNQARKSA-N 1 0 181.239 0.599 50 0 ACAARO Cn1nccc1[C@@H]1CC[NH2+]C1 82407933 169068471 /nfs/dbraw/zinc/06/84/71/169068471.db2.gz PZNBWWUBSBNMEC-SSDOTTSWSA-N 1 0 151.213 0.497 50 0 ACAARO Cn1ncnc1[C@H]([NH3+])C1CC1 19091737 169068505 /nfs/dbraw/zinc/06/85/05/169068505.db2.gz KMDDVVPUAMQTNR-ZCFIWIBFSA-N 1 0 152.201 0.225 50 0 ACAARO Cn1nccc1[C@@H]1OCC[C@H]1C[NH3+] 98095829 169068613 /nfs/dbraw/zinc/06/86/13/169068613.db2.gz RFHQJLOTULCXTL-IONNQARKSA-N 1 0 181.239 0.456 50 0 in-vitro ACAARO Cn1nnc2cc(C[NH3+])ccc21 158988 169069317 /nfs/dbraw/zinc/06/93/17/169069317.db2.gz QPFIBLSSLODPBG-UHFFFAOYSA-N 1 0 162.196 0.427 50 0 in-vitro ACAARO Cn1nnnc1SC1CC[NH2+]CC1 43501258 169069481 /nfs/dbraw/zinc/06/94/81/169069481.db2.gz MXEPTBVDQHUEAK-UHFFFAOYSA-N 1 0 199.283 0.054 50 0 ACAARO Cn1nnnc1SC[C@H]1CCC[NH2+]1 43497215 169069642 /nfs/dbraw/zinc/06/96/42/169069642.db2.gz UXBYCOFCJQJPEK-ZCFIWIBFSA-N 1 0 199.283 0.054 50 0 ACAARO Cn1nnnc1SC[C@@H]1CCC[NH2+]1 43497213 169070159 /nfs/dbraw/zinc/07/01/59/169070159.db2.gz UXBYCOFCJQJPEK-LURJTMIESA-N 1 0 199.283 0.054 50 0 ACAARO FC(F)(F)C1C[NH2+]C1 57219054 169070791 /nfs/dbraw/zinc/07/07/91/169070791.db2.gz YWMNMYONCOJLDA-UHFFFAOYSA-N 1 0 125.093 0.768 50 0 in-vitro ACAARO FC(F)(F)O[C@H]1CC[NH2+]C1 71792898 169071002 /nfs/dbraw/zinc/07/10/02/169071002.db2.gz LMXDVHWGZYGKNK-BYPYZUCNSA-N 1 0 155.119 0.885 50 0 in-vitro ACAARO FC(F)(F)CN1CC[NH2+]CC1 19230082 169071045 /nfs/dbraw/zinc/07/10/45/169071045.db2.gz GFPOCAYEKCWFPD-UHFFFAOYSA-N 1 0 168.162 0.454 50 0 in-vitro ACAARO FC(F)(F)CN[C@@H]1CCC[NH2+]C1 43323614 169071229 /nfs/dbraw/zinc/07/12/29/169071229.db2.gz RKARRRFNYISDHQ-ZCFIWIBFSA-N 1 0 182.189 0.890 50 0 ACAARO FC(F)(F)CNC1CC[NH2+]CC1 38040458 169071301 /nfs/dbraw/zinc/07/13/01/169071301.db2.gz NDOHSSRPABGLLD-UHFFFAOYSA-N 1 0 182.189 0.890 50 0 ACAARO FC(F)(F)CN[C@H]1CCC[NH2+]C1 43323612 169071369 /nfs/dbraw/zinc/07/13/69/169071369.db2.gz RKARRRFNYISDHQ-LURJTMIESA-N 1 0 182.189 0.890 50 0 ACAARO FC(F)(F)COC1C[NH2+]C1 54931675 169071384 /nfs/dbraw/zinc/07/13/84/169071384.db2.gz TXTIKGOZUZUFMT-UHFFFAOYSA-N 1 0 155.119 0.537 50 0 in-vitro ACAARO FC(F)(F)CN1CCC[NH2+]CC1 22920617 169071574 /nfs/dbraw/zinc/07/15/74/169071574.db2.gz BIHMTOQLCAYODT-UHFFFAOYSA-N 1 0 182.189 0.844 50 0 ACAARO FC(F)(F)CN1CC2(C[NH2+]C2)C1 253496185 169071792 /nfs/dbraw/zinc/07/17/92/169071792.db2.gz RNIHHOALZRUBRZ-UHFFFAOYSA-N 1 0 180.173 0.454 50 0 ACAARO FC(F)(F)CCN1CC[NH2+]CC1 39114324 169071876 /nfs/dbraw/zinc/07/18/76/169071876.db2.gz PYSUBPCPJRBSGH-UHFFFAOYSA-N 1 0 182.189 0.844 50 0 ACAARO FC(F)(F)O[C@@H]1CC[NH2+]C1 71792897 169072066 /nfs/dbraw/zinc/07/20/66/169072066.db2.gz LMXDVHWGZYGKNK-SCSAIBSYSA-N 1 0 155.119 0.885 50 0 in-vitro ACAARO FC(F)(F)OC1C[NH2+]C1 91252399 169072075 /nfs/dbraw/zinc/07/20/75/169072075.db2.gz AQJPOLHQCSQUHQ-UHFFFAOYSA-N 1 0 141.092 0.495 50 0 ACAARO FC(F)(F)[C@H]1C[NH2+]CCO1 68576387 169072264 /nfs/dbraw/zinc/07/22/64/169072264.db2.gz OVAZCYUQNNFOKS-SCSAIBSYSA-N 1 0 155.119 0.537 50 0 in-vitro ACAARO FC(F)(F)[C@H]1C[NH2+]CCN1 30714950 169072852 /nfs/dbraw/zinc/07/28/52/169072852.db2.gz YNEJOOCZWXGXDU-SCSAIBSYSA-N 1 0 154.135 0.110 50 0 in-vitro ACAARO FC(F)OC1C[NH2+]C1 95884076 169073419 /nfs/dbraw/zinc/07/34/19/169073419.db2.gz DRBMDELQCZMFKH-UHFFFAOYSA-N 1 0 123.102 0.197 50 0 in-vitro ACAARO FC(F)[C@@H]1CC[NH2+]C1 72295229 169073523 /nfs/dbraw/zinc/07/35/23/169073523.db2.gz UZOUSFRKYIBWJB-SCSAIBSYSA-N 1 0 121.130 0.861 50 0 in-vitro ACAARO FC(F)O[C@@H]1CCC[NH2+]C1 57218423 169073542 /nfs/dbraw/zinc/07/35/42/169073542.db2.gz RFLBTFBEDGNWFK-RXMQYKEDSA-N 1 0 151.156 0.978 50 0 in-vitro ACAARO FC1(C2CC2)C[NH2+]C1 91305803 169073653 /nfs/dbraw/zinc/07/36/53/169073653.db2.gz AOUFJTIBSZYCPM-UHFFFAOYSA-N 1 0 115.151 0.708 50 0 in-vitro ACAARO FC(F)OC1CC[NH2+]CC1 95884081 169073752 /nfs/dbraw/zinc/07/37/52/169073752.db2.gz MUPQNDRRTPPWCW-UHFFFAOYSA-N 1 0 151.156 0.978 50 0 in-vitro ACAARO FC(F)OC[C@@H]1CC[NH2+]C1 158846391 169073809 /nfs/dbraw/zinc/07/38/09/169073809.db2.gz VMUMALCEPHRWIF-RXMQYKEDSA-N 1 0 151.156 0.835 50 0 in-vitro ACAARO FC(F)c1n[nH]c2c1C[NH2+]CC2 238860532 169073815 /nfs/dbraw/zinc/07/38/15/169073815.db2.gz ZTJOBDVNMYVDQP-UHFFFAOYSA-N 1 0 173.166 0.993 50 0 ACAARO FC(F)O[C@@H]1CC[NH2+]C1 95883980 169073989 /nfs/dbraw/zinc/07/39/89/169073989.db2.gz CENPMZAOUBNUCY-SCSAIBSYSA-N 1 0 137.129 0.588 50 0 in-vitro ACAARO FC(F)CN1CC[NH2+]CC1 22762947 169073999 /nfs/dbraw/zinc/07/39/99/169073999.db2.gz JIARBLBYLGYCBZ-UHFFFAOYSA-N 1 0 150.172 0.157 50 0 in-vitro ACAARO FC(F)O[C@H]1CC[NH2+]C1 95883981 169074086 /nfs/dbraw/zinc/07/40/86/169074086.db2.gz CENPMZAOUBNUCY-BYPYZUCNSA-N 1 0 137.129 0.588 50 0 in-vitro ACAARO FC(F)[C@@]12C[NH2+]C[C@@H]1C2 95942564 169074319 /nfs/dbraw/zinc/07/43/19/169074319.db2.gz NRTAXGWWRFXJOB-NJGYIYPDSA-N 1 0 133.141 0.861 50 0 in-vitro ACAARO FC(F)[C@H]1CC[NH2+]C1 72295230 169074409 /nfs/dbraw/zinc/07/44/09/169074409.db2.gz UZOUSFRKYIBWJB-BYPYZUCNSA-N 1 0 121.130 0.861 50 0 in-vitro ACAARO FC(F)O[C@H]1CCC[NH2+]C1 57218422 169074745 /nfs/dbraw/zinc/07/47/45/169074745.db2.gz RFLBTFBEDGNWFK-YFKPBYRVSA-N 1 0 151.156 0.978 50 0 in-vitro ACAARO FC(F)C1C[NH2+]C1 78210790 169074866 /nfs/dbraw/zinc/07/48/66/169074866.db2.gz IMROEAZUSMCUNE-UHFFFAOYSA-N 1 0 107.103 0.471 50 0 in-vitro ACAARO FC(F)OC[C@H]1CC[NH2+]C1 158846539 169074982 /nfs/dbraw/zinc/07/49/82/169074982.db2.gz VMUMALCEPHRWIF-YFKPBYRVSA-N 1 0 151.156 0.835 50 0 in-vitro ACAARO FC(F)CN1CCC[NH2+]CC1 37755378 169075071 /nfs/dbraw/zinc/07/50/71/169075071.db2.gz KCRYVTCTJOJFPB-UHFFFAOYSA-N 1 0 164.199 0.547 50 0 in-vitro ACAARO FC1CC2(C[NH2+]C2)C1 71373324 169075670 /nfs/dbraw/zinc/07/56/70/169075670.db2.gz RCAFANHNHZOIQN-UHFFFAOYSA-N 1 0 115.151 0.708 50 0 ACAARO FC1(F)C[C@@H]2C[NH2+]C[C@H]21 104581402 169075716 /nfs/dbraw/zinc/07/57/16/169075716.db2.gz GETFYARBJRZNMZ-RFZPGFLSSA-N 1 0 133.141 0.861 50 0 ACAARO FC1(F)CCN(C2C[NH2+]C2)CC1 72267085 169075770 /nfs/dbraw/zinc/07/57/70/169075770.db2.gz OIQJXEUDXZJIRR-UHFFFAOYSA-N 1 0 176.210 0.689 50 0 in-vitro ACAARO FC1CCN(C2C[NH2+]C2)CC1 38234056 169075834 /nfs/dbraw/zinc/07/58/34/169075834.db2.gz IAXLDDRNDNFPGH-UHFFFAOYSA-N 1 0 158.220 0.392 50 0 ACAARO FC1CN(C2CC[NH2+]CC2)C1 95644388 169075852 /nfs/dbraw/zinc/07/58/52/169075852.db2.gz QCJPGIFKFKZXAQ-UHFFFAOYSA-N 1 0 158.220 0.392 50 0 ACAARO FC1(F)C[C@H]2C[NH2+]C[C@H]21 104581407 169075872 /nfs/dbraw/zinc/07/58/72/169075872.db2.gz GETFYARBJRZNMZ-CRCLSJGQSA-N 1 0 133.141 0.861 50 0 ACAARO FC1(F)CN(C2CC[NH2+]CC2)C1 85210283 169075876 /nfs/dbraw/zinc/07/58/76/169075876.db2.gz NMSGIIPUOLDNTO-UHFFFAOYSA-N 1 0 176.210 0.689 50 0 in-vitro ACAARO FC1(F)[C@H]2CC[NH2+]C[C@H]21 57219062 169075976 /nfs/dbraw/zinc/07/59/76/169075976.db2.gz WNYYRDKLJMIYSK-CRCLSJGQSA-N 1 0 133.141 0.861 50 0 ACAARO FC1CC[NH2+]CC1 2506773 169075999 /nfs/dbraw/zinc/07/59/99/169075999.db2.gz QBLLOOKBLTTXHB-UHFFFAOYSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO FC1(F)[C@@H]2CC[NH2+]C[C@@H]21 57219061 169076010 /nfs/dbraw/zinc/07/60/10/169076010.db2.gz WNYYRDKLJMIYSK-UHNVWZDZSA-N 1 0 133.141 0.861 50 0 ACAARO FC1(F)CC[NH2+]C1 19735230 169076159 /nfs/dbraw/zinc/07/61/59/169076159.db2.gz KVTUSMPNLUCCQO-UHFFFAOYSA-N 1 0 107.103 0.615 50 0 in-vitro ACAARO FC1(F)C[C@H]2C[NH2+]C[C@@H]21 104581396 169076332 /nfs/dbraw/zinc/07/63/32/169076332.db2.gz GETFYARBJRZNMZ-WHFBIAKZSA-N 1 0 133.141 0.861 50 0 ACAARO FC1(F)CCN(C2C[NH2+]C2)C1 72267094 169076403 /nfs/dbraw/zinc/07/64/03/169076403.db2.gz XHHYGYVKHQAJTJ-UHFFFAOYSA-N 1 0 162.183 0.299 50 0 ACAARO FC1(F)C[C@@H]2C[NH2+]CCN2C1 72208615 169076833 /nfs/dbraw/zinc/07/68/33/169076833.db2.gz WRZOXGCZOWTRIE-ZCFIWIBFSA-N 1 0 162.183 0.299 50 0 ACAARO FC1(F)[C@@H]2C[NH2+]C[C@@H]21 39326141 169076847 /nfs/dbraw/zinc/07/68/47/169076847.db2.gz GHBUVDSNXSMDMM-ZXZARUISSA-N 1 0 119.114 0.471 50 0 in-vitro ACAARO FC1(F)CC12C[NH2+]C2 169798738 169076942 /nfs/dbraw/zinc/07/69/42/169076942.db2.gz GOZDGVBSWAOCMB-UHFFFAOYSA-N 1 0 119.114 0.615 50 0 ACAARO FC1(F)C[C@@H]2C[NH2+]C[C@@H]21 91305859 169077033 /nfs/dbraw/zinc/07/70/33/169077033.db2.gz GETFYARBJRZNMZ-UHNVWZDZSA-N 1 0 133.141 0.861 50 0 ACAARO FC1=CCC[NH2+]C1 95347522 169077063 /nfs/dbraw/zinc/07/70/63/169077063.db2.gz QWDSFLRXTYVJEH-UHFFFAOYSA-N 1 0 101.124 0.833 50 0 in-vitro ACAARO FC1(F)C[C@H]2C[NH2+]CCN2C1 39957302 169077139 /nfs/dbraw/zinc/07/71/39/169077139.db2.gz WRZOXGCZOWTRIE-LURJTMIESA-N 1 0 162.183 0.299 50 0 in-vitro ACAARO FCCO[C@@H]1CC[NH2+]C1 42775869 169077430 /nfs/dbraw/zinc/07/74/30/169077430.db2.gz JMKXTRKMPOAPAF-ZCFIWIBFSA-N 1 0 133.166 0.334 50 0 ACAARO FCC1CC[NH2+]CC1 38995458 169077447 /nfs/dbraw/zinc/07/74/47/169077447.db2.gz NMAWKWXNYXZOPN-UHFFFAOYSA-N 1 0 117.167 0.956 50 0 in-vitro ACAARO FCCO[C@@H]1CCC[NH2+]C1 42775849 169077584 /nfs/dbraw/zinc/07/75/84/169077584.db2.gz YDJXIGXOQACLMU-SSDOTTSWSA-N 1 0 147.193 0.725 50 0 in-vitro ACAARO FCCOC1CC[NH2+]CC1 42775854 169077586 /nfs/dbraw/zinc/07/75/86/169077586.db2.gz ZYWSJLKFJGIJGJ-UHFFFAOYSA-N 1 0 147.193 0.725 50 0 in-vitro ACAARO FCC[C@@H]1CC[NH2+]C1 42784193 169077758 /nfs/dbraw/zinc/07/77/58/169077758.db2.gz UQIDGDMXALVLSR-ZCFIWIBFSA-N 1 0 117.167 0.956 50 0 ACAARO FCCO[C@H]1CC[NH2+]C1 42775872 169077840 /nfs/dbraw/zinc/07/78/40/169077840.db2.gz JMKXTRKMPOAPAF-LURJTMIESA-N 1 0 133.166 0.334 50 0 ACAARO FC[C@@H]1C[NH2+]CCCO1 257845497 169078064 /nfs/dbraw/zinc/07/80/64/169078064.db2.gz PZHXKIHZYRBWAP-ZCFIWIBFSA-N 1 0 133.166 0.334 50 0 ACAARO FC[C@@H]1CC[NH2+]1 104631258 169078451 /nfs/dbraw/zinc/07/84/51/169078451.db2.gz FJEHOKRORRMMCC-BYPYZUCNSA-N 1 0 89.113 0.318 50 0 ACAARO FCCOCC1CC[NH2+]CC1 42775865 169078458 /nfs/dbraw/zinc/07/84/58/169078458.db2.gz QXZWBRWMTBCBAA-UHFFFAOYSA-N 1 0 161.220 0.972 50 0 ACAARO FCCOC[C@@H]1CC[NH2+]C1 42771571 169078526 /nfs/dbraw/zinc/07/85/26/169078526.db2.gz NFUHPJSEJAUFSZ-SSDOTTSWSA-N 1 0 147.193 0.582 50 0 ACAARO FCCOC[C@@H]1CCC[NH2+]C1 42775861 169078543 /nfs/dbraw/zinc/07/85/43/169078543.db2.gz PTJCKQSFVICZMW-MRVPVSSYSA-N 1 0 161.220 0.972 50 0 ACAARO FCCO[C@H]1CCC[NH2+]C1 42775845 169078569 /nfs/dbraw/zinc/07/85/69/169078569.db2.gz YDJXIGXOQACLMU-ZETCQYMHSA-N 1 0 147.193 0.725 50 0 in-vitro ACAARO FC[C@@H]1C[NH2+]C[C@@H](CF)O1 96028938 169078640 /nfs/dbraw/zinc/07/86/40/169078640.db2.gz LWWWYQKBWBKQMP-PHDIDXHHSA-N 1 0 151.156 0.282 50 0 ACAARO FC[C@@H]1CCC[NH2+]C1 71257515 169078811 /nfs/dbraw/zinc/07/88/11/169078811.db2.gz XCFQIKQVRXAIEX-LURJTMIESA-N 1 0 117.167 0.956 50 0 in-vitro ACAARO FC[C@@H]1C[NH2+]C[C@H](CF)O1 96028937 169078836 /nfs/dbraw/zinc/07/88/36/169078836.db2.gz LWWWYQKBWBKQMP-OLQVQODUSA-N 1 0 151.156 0.282 50 0 ACAARO FC[C@@H]1CC[NH2+]C1 59568799 169078848 /nfs/dbraw/zinc/07/88/48/169078848.db2.gz AEHIVNSTDRLJBL-YFKPBYRVSA-N 1 0 103.140 0.565 50 0 ACAARO FCCCN1CC[NH2+]CC1 39079582 169078901 /nfs/dbraw/zinc/07/89/01/169078901.db2.gz IOLFFUHMNSTDJO-UHFFFAOYSA-N 1 0 146.209 0.251 50 0 ACAARO FC[C@H]1CCC[NH2+]1 40449171 169078928 /nfs/dbraw/zinc/07/89/28/169078928.db2.gz WMCKMBIRRGZGLE-RXMQYKEDSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO FCC[C@H]1CC[NH2+]C1 42784194 169079078 /nfs/dbraw/zinc/07/90/78/169079078.db2.gz UQIDGDMXALVLSR-LURJTMIESA-N 1 0 117.167 0.956 50 0 ACAARO FCC1C[NH2+]C1 97758301 169079100 /nfs/dbraw/zinc/07/91/00/169079100.db2.gz XHELGHANYVVRLW-UHFFFAOYSA-N 1 0 89.113 0.175 50 0 ACAARO FC[C@@H]1[C@H]2C[NH2+]C[C@H]21 101275815 169079114 /nfs/dbraw/zinc/07/91/14/169079114.db2.gz IMMWJRVCHSZLCT-STNDOWJSSA-N 1 0 115.151 0.421 50 0 in-vitro ACAARO FC[C@@H]1CCC[NH2+]1 40449172 169079126 /nfs/dbraw/zinc/07/91/26/169079126.db2.gz WMCKMBIRRGZGLE-YFKPBYRVSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO FCCOC[C@H]1CC[NH2+]C1 42771573 169079353 /nfs/dbraw/zinc/07/93/53/169079353.db2.gz NFUHPJSEJAUFSZ-ZETCQYMHSA-N 1 0 147.193 0.582 50 0 ACAARO FCCOC[C@H]1CCC[NH2+]C1 42775858 169079388 /nfs/dbraw/zinc/07/93/88/169079388.db2.gz PTJCKQSFVICZMW-QMMMGPOBSA-N 1 0 161.220 0.972 50 0 ACAARO FC[C@H]1CCC[NH2+]C1 71257514 169079910 /nfs/dbraw/zinc/07/99/10/169079910.db2.gz XCFQIKQVRXAIEX-ZCFIWIBFSA-N 1 0 117.167 0.956 50 0 in-vitro ACAARO FC[C@H]1C[NH2+]CCCO1 257845496 169079967 /nfs/dbraw/zinc/07/99/67/169079967.db2.gz PZHXKIHZYRBWAP-LURJTMIESA-N 1 0 133.166 0.334 50 0 ACAARO FC[C@H]1CC[NH2+]C1 59568800 169079987 /nfs/dbraw/zinc/07/99/87/169079987.db2.gz AEHIVNSTDRLJBL-RXMQYKEDSA-N 1 0 103.140 0.565 50 0 ACAARO FC[C@H]1C[NH2+]C[C@H](CF)O1 96028939 169079995 /nfs/dbraw/zinc/07/99/95/169079995.db2.gz LWWWYQKBWBKQMP-WDSKDSINSA-N 1 0 151.156 0.282 50 0 ACAARO FC[C@H]1CC[NH2+]1 113941276 169080013 /nfs/dbraw/zinc/08/00/13/169080013.db2.gz FJEHOKRORRMMCC-SCSAIBSYSA-N 1 0 89.113 0.318 50 0 ACAARO F[C@H]1CC[NH2+]C[C@H]1F 95743339 169080260 /nfs/dbraw/zinc/08/02/60/169080260.db2.gz BQWQIGWFVSNAHY-CRCLSJGQSA-N 1 0 121.130 0.656 50 0 ACAARO F[C@H]1C[NH2+]C[C@H]1F 51951730 169080328 /nfs/dbraw/zinc/08/03/28/169080328.db2.gz PHFTVEADDMICLE-ZXZARUISSA-N 1 0 107.103 0.266 50 0 in-vitro ACAARO F[C@H]1C[C@H]2C[NH2+]CCN2C1 39957301 169080399 /nfs/dbraw/zinc/08/03/99/169080399.db2.gz GEJVEGQYNKOYPG-BQBZGAKWSA-N 1 0 144.193 0.002 50 0 in-vitro ACAARO F[C@H]1CC[NH2+]C1 2525425 169080406 /nfs/dbraw/zinc/08/04/06/169080406.db2.gz CDDGNGVFPQRJJM-BYPYZUCNSA-N 1 0 89.113 0.318 50 0 in-vitro ACAARO F[C@H]1C[C@@H]2C[NH2+]CCN2C1 205998219 169080527 /nfs/dbraw/zinc/08/05/27/169080527.db2.gz GEJVEGQYNKOYPG-NKWVEPMBSA-N 1 0 144.193 0.002 50 0 ACAARO F[C@H]1C[NH2+]CC[C@H]1N1CCC1 95743451 169080635 /nfs/dbraw/zinc/08/06/35/169080635.db2.gz JYRRFTJTUNIUCA-JGVFFNPUSA-N 1 0 158.220 0.392 50 0 ACAARO F[C@H]1C[NH2+]C[C@@H]1F 51951732 169080745 /nfs/dbraw/zinc/08/07/45/169080745.db2.gz PHFTVEADDMICLE-IMJSIDKUSA-N 1 0 107.103 0.266 50 0 ACAARO F[C@H]1C[NH2+]CC[C@@H]1N1CCC1 98095802 169080825 /nfs/dbraw/zinc/08/08/25/169080825.db2.gz JYRRFTJTUNIUCA-YUMQZZPRSA-N 1 0 158.220 0.392 50 0 ACAARO Fc1ccc(O[C@@H]2CC[NH2+]C2)nc1 51868663 169082441 /nfs/dbraw/zinc/08/24/41/169082441.db2.gz FJHCMUSECGDXSZ-MRVPVSSYSA-N 1 0 182.198 0.961 50 0 ACAARO Fc1ccc(C[C@@H]2C[NH2+]CCN2)cc1 71506753 169082653 /nfs/dbraw/zinc/08/26/53/169082653.db2.gz JNIJHLZPIBHAFG-LLVKDONJSA-N 1 0 194.253 0.930 50 0 ACAARO Fc1ccc(C[C@H]2C[NH2+]CCN2)cc1 71506754 169082868 /nfs/dbraw/zinc/08/28/68/169082868.db2.gz JNIJHLZPIBHAFG-NSHDSACASA-N 1 0 194.253 0.930 50 0 ACAARO Fc1ccc(O[C@H]2CC[NH2+]C2)nc1 51868666 169084648 /nfs/dbraw/zinc/08/46/48/169084648.db2.gz FJHCMUSECGDXSZ-QMMMGPOBSA-N 1 0 182.198 0.961 50 0 ACAARO Fc1cnc(O[C@H]2CCC[NH2+]C2)nc1 95072027 169089070 /nfs/dbraw/zinc/08/90/70/169089070.db2.gz SMSLRGOGHSLLII-QMMMGPOBSA-N 1 0 197.213 0.747 50 0 ACAARO Fc1cnc2c(c1)C[NH2+]C2 18531857 169089310 /nfs/dbraw/zinc/08/93/10/169089310.db2.gz OPHBRXJDAMXAAX-UHFFFAOYSA-N 1 0 138.145 0.824 50 0 ACAARO Fc1cnc(O[C@@H]2CCC[NH2+]C2)nc1 95072025 169089351 /nfs/dbraw/zinc/08/93/51/169089351.db2.gz SMSLRGOGHSLLII-MRVPVSSYSA-N 1 0 197.213 0.747 50 0 ACAARO Fc1cnc(O[C@@H]2CC[NH2+]C2)nc1 95072026 169089405 /nfs/dbraw/zinc/08/94/05/169089405.db2.gz RFQJHXYKEGROCP-SSDOTTSWSA-N 1 0 183.186 0.356 50 0 ACAARO Fc1cnc(OC2CC[NH2+]CC2)nc1 59689040 169089485 /nfs/dbraw/zinc/08/94/85/169089485.db2.gz NTSLMRPNSUCFKM-UHFFFAOYSA-N 1 0 197.213 0.747 50 0 ACAARO Fc1cccnc1O[C@@H]1CC[NH2+]C1 54701238 169089621 /nfs/dbraw/zinc/08/96/21/169089621.db2.gz FJQVSEGZJDDIFV-SSDOTTSWSA-N 1 0 182.198 0.961 50 0 ACAARO Fc1cccnc1O[C@H]1CC[NH2+]C1 54701239 169089627 /nfs/dbraw/zinc/08/96/27/169089627.db2.gz FJQVSEGZJDDIFV-ZETCQYMHSA-N 1 0 182.198 0.961 50 0 ACAARO Fc1cnc(NC2CC[NH2+]CC2)nc1 72203000 169089865 /nfs/dbraw/zinc/08/98/65/169089865.db2.gz LHSROUVUVLOKCH-UHFFFAOYSA-N 1 0 196.229 0.780 50 0 ACAARO Fc1cnc(O[C@H]2CC[NH2+]C2)nc1 95072028 169089900 /nfs/dbraw/zinc/08/99/00/169089900.db2.gz RFQJHXYKEGROCP-ZETCQYMHSA-N 1 0 183.186 0.356 50 0 ACAARO Fc1ncccc1OC[C@@H]1CC[NH2+]1 6525315 169090419 /nfs/dbraw/zinc/09/04/19/169090419.db2.gz GVOOYVOZPRROMP-ZETCQYMHSA-N 1 0 182.198 0.961 50 0 in-vivo ACAARO [NH3+]C[C@H]1CCCO1 3861037 169216549 /nfs/dbraw/zinc/21/65/49/169216549.db2.gz YNOGYQAEJGADFJ-RXMQYKEDSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@H](O)C1 70038097 169216598 /nfs/dbraw/zinc/21/65/98/169216598.db2.gz WFTIZANRIDXCBN-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@H]1CCO[C@]2(CCOC2)C1 82400487 169216612 /nfs/dbraw/zinc/21/66/12/169216612.db2.gz OEPHHDAELFALMF-DTWKUNHWSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCS1 96034428 169216640 /nfs/dbraw/zinc/21/66/40/169216640.db2.gz CJILFEQOCDJDGI-SCSAIBSYSA-N 1 0 103.190 0.451 50 0 in-vitro ACAARO NC(=[NH2+])C1CC1 1433057 169135675 /nfs/dbraw/zinc/13/56/75/169135675.db2.gz FXFPOKGPAPEJNE-UHFFFAOYSA-N 1 0 84.122 0.332 50 0 in-vitro ACAARO NC(=[NH2+])CCn1cccc1 1442800 169136289 /nfs/dbraw/zinc/13/62/89/169136289.db2.gz XBPKUTOTRXCCPU-UHFFFAOYSA-N 1 0 137.186 0.814 50 0 ACAARO NC(=[NH2+])CC1CC1 2518223 169136508 /nfs/dbraw/zinc/13/65/08/169136508.db2.gz QDKGGUVUUBZSOR-UHFFFAOYSA-N 1 0 98.149 0.722 50 0 in-vitro ACAARO NC(=[NH2+])CN1CCc2ccccc21 19477424 169136517 /nfs/dbraw/zinc/13/65/17/169136517.db2.gz DWHZJMYABOCSJR-UHFFFAOYSA-N 1 0 175.235 0.985 50 0 ACAARO NC(=[NH2+])CN1CCCC1 38342563 169136537 /nfs/dbraw/zinc/13/65/37/169136537.db2.gz FUZDFUUBQLKDPP-UHFFFAOYSA-N 1 0 127.191 0.018 50 0 in-vitro ACAARO NC(=[NH2+])C1CCOCC1 14989009 169136589 /nfs/dbraw/zinc/13/65/89/169136589.db2.gz RLVPQNBFDNJRQS-UHFFFAOYSA-N 1 0 128.175 0.349 50 0 in-vitro ACAARO NC(=[NH2+])CCc1ccccn1 14808537 169136633 /nfs/dbraw/zinc/13/66/33/169136633.db2.gz RKRXUFRKLPZYBZ-UHFFFAOYSA-N 1 0 149.197 0.950 50 0 in-vitro ACAARO NC(=[NH2+])CC(F)(F)F 55364062 169136678 /nfs/dbraw/zinc/13/66/78/169136678.db2.gz HCWWJFASZVJTOM-UHFFFAOYSA-N 1 0 126.081 0.875 50 0 in-vitro ACAARO NC(=[NH2+])C1(O)CCCCC1 4203572 169136748 /nfs/dbraw/zinc/13/67/48/169136748.db2.gz WDFMIRSCLXDLPU-UHFFFAOYSA-N 1 0 142.202 0.618 50 0 ACAARO NC(=[NH2+])CCn1ccnc1 19476542 169137029 /nfs/dbraw/zinc/13/70/29/169137029.db2.gz MBQJTTFODAWVHM-UHFFFAOYSA-N 1 0 138.174 0.209 50 0 in-vitro ACAARO NC(=[NH2+])CN1CCCCC1 38986363 169137039 /nfs/dbraw/zinc/13/70/39/169137039.db2.gz SIUGISPTQIWBCP-UHFFFAOYSA-N 1 0 141.218 0.408 50 0 ACAARO NC(=[NH2+])C1CCC1 1433060 169137046 /nfs/dbraw/zinc/13/70/46/169137046.db2.gz YRTJYDRUQDCJKA-UHFFFAOYSA-N 1 0 98.149 0.722 50 0 in-vitro ACAARO NC(=[NH2+])NCCc1ccccc1F 28644603 169137274 /nfs/dbraw/zinc/13/72/74/169137274.db2.gz SRLCZIOCYDTUFO-UHFFFAOYSA-N 1 0 181.214 0.851 50 0 ACAARO NC(=[NH2+])N1Cc2ccccc2[C@H](O)C1 6117321 169137280 /nfs/dbraw/zinc/13/72/80/169137280.db2.gz AKFURXZANOMQBD-SECBINFHSA-N 1 0 191.234 0.429 50 0 endogenous,in-man ACAARO NC(=[NH2+])NC[C@@H](O)c1ccccc1F 35822671 169137285 /nfs/dbraw/zinc/13/72/85/169137285.db2.gz GADPXQTTZKNTIR-MRVPVSSYSA-N 1 0 197.213 0.342 50 0 ACAARO NC(=[NH2+])NCc1ccc2c(c1)OCO2 1458848 169137293 /nfs/dbraw/zinc/13/72/93/169137293.db2.gz QVBNBQQABMECQB-UHFFFAOYSA-N 1 0 193.206 0.398 50 0 ACAARO NC(=[NH2+])N1CCO[C@H]2CCC[C@H]21 202950759 169137295 /nfs/dbraw/zinc/13/72/95/169137295.db2.gz QXMMXGVGJMBRCI-RQJHMYQMSA-N 1 0 169.228 0.133 50 0 ACAARO NC(=[NH2+])NC1Cc2ccccc2C1 10494107 169137299 /nfs/dbraw/zinc/13/72/99/169137299.db2.gz DKESMSIFJDXVCT-UHFFFAOYSA-N 1 0 175.235 0.637 50 0 ACAARO NC(=[NH2+])NCc1ccc(F)cc1 3425318 169137356 /nfs/dbraw/zinc/13/73/56/169137356.db2.gz DDTYPUJUKWPXSK-UHFFFAOYSA-N 1 0 167.187 0.809 50 0 ACAARO NC(=[NH2+])Cn1cnc2ccccc21 1629588 169137357 /nfs/dbraw/zinc/13/73/57/169137357.db2.gz IXHIONRUTYJFRM-UHFFFAOYSA-N 1 0 174.207 0.972 50 0 in-vitro ACAARO NC(=[NH2+])NCc1cccnc1 19090436 169137361 /nfs/dbraw/zinc/13/73/61/169137361.db2.gz IRXOVUKSPWZRJB-UHFFFAOYSA-N 1 0 150.185 0.065 50 0 ACAARO NC(=[NH2+])N1CCO[C@H]2CCC[C@@H]21 202950744 169137369 /nfs/dbraw/zinc/13/73/69/169137369.db2.gz QXMMXGVGJMBRCI-BQBZGAKWSA-N 1 0 169.228 0.133 50 0 ACAARO NC(=[NH2+])NCCc1cccs1 53278600 169137379 /nfs/dbraw/zinc/13/73/79/169137379.db2.gz QZHOXVQJYIXIOM-UHFFFAOYSA-N 1 0 169.253 0.774 50 0 ACAARO NC(=[NH2+])NC[C@H](O)c1ccccc1F 35822672 169137408 /nfs/dbraw/zinc/13/74/08/169137408.db2.gz GADPXQTTZKNTIR-QMMMGPOBSA-N 1 0 197.213 0.342 50 0 ACAARO NC(=[NH2+])NCc1ccccn1 26655396 169137506 /nfs/dbraw/zinc/13/75/06/169137506.db2.gz LXVKOMHNCDIZPY-UHFFFAOYSA-N 1 0 150.185 0.065 50 0 in-vitro ACAARO NC(=[NH2+])NCc1cc(F)cc(F)c1 72329878 169137508 /nfs/dbraw/zinc/13/75/08/169137508.db2.gz IUNOCUKAHBZMNS-UHFFFAOYSA-N 1 0 185.177 0.948 50 0 ACAARO NC(=[NH2+])N1CCO[C@@H]2CCC[C@@H]21 43425853 169137518 /nfs/dbraw/zinc/13/75/18/169137518.db2.gz QXMMXGVGJMBRCI-NKWVEPMBSA-N 1 0 169.228 0.133 50 0 ACAARO NC(=[NH2+])NCCc1ccccc1 1652058 169137525 /nfs/dbraw/zinc/13/75/25/169137525.db2.gz GWKLNCUXOUHWLL-UHFFFAOYSA-N 1 0 163.224 0.712 50 0 ACAARO NC(=[NH2+])NCCOc1ccccc1 2006060 169137530 /nfs/dbraw/zinc/13/75/30/169137530.db2.gz ZCMYPKSIEFFUBO-UHFFFAOYSA-N 1 0 179.223 0.548 50 0 ACAARO NC(=[NH2+])N1Cc2ccccc2C1 50911476 169137535 /nfs/dbraw/zinc/13/75/35/169137535.db2.gz OWHAEVPMSNINKQ-UHFFFAOYSA-N 1 0 161.208 0.896 50 0 in-vitro ACAARO NC(=[NH2+])NCCOC1CCCCC1 70168475 169137668 /nfs/dbraw/zinc/13/76/68/169137668.db2.gz SHALVFBAIPWGTB-UHFFFAOYSA-N 1 0 185.271 0.819 50 0 ACAARO NC(=[NH2+])Cc1ccncc1 1442803 169137681 /nfs/dbraw/zinc/13/76/81/169137681.db2.gz KOVWXARDLSTZLR-UHFFFAOYSA-N 1 0 135.170 0.560 50 0 in-vitro ACAARO NC(=[NH2+])N1CCCCCC1 5375101 169137686 /nfs/dbraw/zinc/13/76/86/169137686.db2.gz UAEHTGCAFBLZQN-UHFFFAOYSA-N 1 0 141.218 0.756 50 0 ACAARO NC(=[NH2+])NCc1ccccc1F 2031359 169137708 /nfs/dbraw/zinc/13/77/08/169137708.db2.gz CIJGQASJMHPZNY-UHFFFAOYSA-N 1 0 167.187 0.809 50 0 ACAARO NC(=[NH2+])NCc1ccco1 494410 169137746 /nfs/dbraw/zinc/13/77/46/169137746.db2.gz KJLXPGOZRJYNKL-UHFFFAOYSA-N 1 0 139.158 0.263 50 0 in-vitro ACAARO NC(=[NH2+])NC(=S)Nc1ccccc1 1758061 169137785 /nfs/dbraw/zinc/13/77/85/169137785.db2.gz IKGVILAOZDBXSV-UHFFFAOYSA-N 1 0 194.263 0.866 50 0 in-vitro ACAARO NC(=[NH2+])NCc1ccncc1 14808570 169137799 /nfs/dbraw/zinc/13/77/99/169137799.db2.gz GBLIODJTYTUZIW-UHFFFAOYSA-N 1 0 150.185 0.065 50 0 in-vitro ACAARO NC(=[NH2+])N1Cc2ccccc2[C@@H](O)C1 2558198 169137842 /nfs/dbraw/zinc/13/78/42/169137842.db2.gz AKFURXZANOMQBD-VIFPVBQESA-N 1 0 191.234 0.429 50 0 endogenous,in-man ACAARO NC(=[NH2+])N1CCCCC1 159755 169137916 /nfs/dbraw/zinc/13/79/16/169137916.db2.gz QUUYRYYUKNNNNS-UHFFFAOYSA-N 1 0 127.191 0.366 50 0 in-vivo ACAARO NC(=[NH2+])NCCc1ccccn1 34113198 169137973 /nfs/dbraw/zinc/13/79/73/169137973.db2.gz FNWHSLHNXIGYSL-UHFFFAOYSA-N 1 0 164.212 0.107 50 0 ACAARO NC(=[NH2+])Cc1ccccn1 1442801 169138089 /nfs/dbraw/zinc/13/80/89/169138089.db2.gz JDGKYIRQZRAXAN-UHFFFAOYSA-N 1 0 135.170 0.560 50 0 in-vitro ACAARO NC(=[NH2+])NC1CCCC1 1458850 169138106 /nfs/dbraw/zinc/13/81/06/169138106.db2.gz CTLOWYRNTUVMJF-UHFFFAOYSA-N 1 0 127.191 0.412 50 0 in-vitro ACAARO NC(=[NH2+])NCc1ccc(F)cc1F 52019943 169138128 /nfs/dbraw/zinc/13/81/28/169138128.db2.gz QMDIOOTYQXGKRO-UHFFFAOYSA-N 1 0 185.177 0.948 50 0 ACAARO NC(=[NH2+])NCC(F)(F)F 52019499 169138140 /nfs/dbraw/zinc/13/81/40/169138140.db2.gz BZGIGIXURRLWCE-UHFFFAOYSA-N 1 0 141.096 0.032 50 0 ACAARO NC(=[NH2+])Cc1cccnc1 1442802 169138146 /nfs/dbraw/zinc/13/81/46/169138146.db2.gz IMXUROAABBBUOI-UHFFFAOYSA-N 1 0 135.170 0.560 50 0 in-vitro ACAARO NC(=[NH2+])N1CCc2ccccc2C1 3594299 169138156 /nfs/dbraw/zinc/13/81/56/169138156.db2.gz JWPGJSVJDAJRLW-UHFFFAOYSA-N 1 0 175.235 0.938 50 0 endogenous,world ACAARO NC(=[NH2+])N1CCc2ccccc21 2358297 169138169 /nfs/dbraw/zinc/13/81/69/169138169.db2.gz VBIWTALYKCUJQJ-UHFFFAOYSA-N 1 0 161.208 0.943 50 0 in-vitro ACAARO NC(=[NH2+])N1CCO[C@@H]2CCC[C@H]21 43425852 169138207 /nfs/dbraw/zinc/13/82/07/169138207.db2.gz QXMMXGVGJMBRCI-RNFRBKRXSA-N 1 0 169.228 0.133 50 0 ACAARO NC(=[NH2+])Cl 100007669 169138255 /nfs/dbraw/zinc/13/82/55/169138255.db2.gz RYTLGWCJESCDMY-UHFFFAOYSA-N 1 0 78.502 0.119 50 0 in-vitro ACAARO NC(=[NH2+])NC1CCCCC1 1670235 169138269 /nfs/dbraw/zinc/13/82/69/169138269.db2.gz AJGAPBXTFUSKNJ-UHFFFAOYSA-N 1 0 141.218 0.802 50 0 in-vitro ACAARO NC(=[NH2+])NCc1ccc2c(c1)CCO2 83967230 169138565 /nfs/dbraw/zinc/13/85/65/169138565.db2.gz SAWLARVOMXIRFC-UHFFFAOYSA-N 1 0 191.234 0.605 50 0 ACAARO NC(=[NH2+])[C@H]1CCCO1 4204116 169138728 /nfs/dbraw/zinc/13/87/28/169138728.db2.gz OUAFMLDGDMRISR-SCSAIBSYSA-N 1 0 114.148 0.101 50 0 in-vitro ACAARO NC(=[NH2+])Sc1cccc[n+]1[O-] 16951998 169138760 /nfs/dbraw/zinc/13/87/60/169138760.db2.gz UQSKEICXKWTJDF-UHFFFAOYSA-N 1 0 169.209 0.306 50 0 ACAARO NC(=[NH2+])[C@H](O)c1ccccc1 2014686 169138853 /nfs/dbraw/zinc/13/88/53/169138853.db2.gz AFXGCWGNLJLYEZ-SSDOTTSWSA-N 1 0 150.181 0.656 50 0 ACAARO NC(=[NH2+])[C@H]1COc2ccccc2O1 2570483 169139112 /nfs/dbraw/zinc/13/91/12/169139112.db2.gz ARTBJOMHJYNLQB-MRVPVSSYSA-N 1 0 178.191 0.762 50 0 in-vitro ACAARO NC(=[NH2+])[C@@H]1COc2ccccc2O1 13466514 169139198 /nfs/dbraw/zinc/13/91/98/169139198.db2.gz ARTBJOMHJYNLQB-QMMMGPOBSA-N 1 0 178.191 0.762 50 0 in-vitro ACAARO NC(=[NH2+])SCCc1cccc[n+]1[O-] 4532575 169139421 /nfs/dbraw/zinc/13/94/21/169139421.db2.gz QPIXQNIUDLOFKD-UHFFFAOYSA-N 1 0 197.263 0.489 50 0 ACAARO NC(=[NH2+])[C@@H]1CCCCN1 66055362 169139467 /nfs/dbraw/zinc/13/94/67/169139467.db2.gz VUFZBKQYVPXHGQ-YFKPBYRVSA-N 1 0 127.191 0.064 50 0 ACAARO NC(=[NH2+])[C@@H]1CCCO1 1444929 169139536 /nfs/dbraw/zinc/13/95/36/169139536.db2.gz OUAFMLDGDMRISR-BYPYZUCNSA-N 1 0 114.148 0.101 50 0 in-vitro ACAARO NC(=[NH2+])Nc1nc2c([nH]1)CCC2 40175500 169139565 /nfs/dbraw/zinc/13/95/65/169139565.db2.gz VLXFAYUNHICGKA-UHFFFAOYSA-N 1 0 165.200 0.204 50 0 ACAARO NC(=[NH2+])SCCc1c[nH]cn1 5425255 169139571 /nfs/dbraw/zinc/13/95/71/169139571.db2.gz PEHSVUKQDJULKE-UHFFFAOYSA-N 1 0 170.241 0.579 50 0 in-vivo ACAARO NC(=[NH2+])c1cc(NC2CC2)ccn1 61814374 169139580 /nfs/dbraw/zinc/13/95/80/169139580.db2.gz LLYRTHBZCSCCDA-UHFFFAOYSA-N 1 0 176.223 0.940 50 0 ACAARO NC(=[NH2+])SCc1ncccc1O 3877581 169139615 /nfs/dbraw/zinc/13/96/15/169139615.db2.gz OEPIIAYQPTXZRB-UHFFFAOYSA-N 1 0 183.236 0.914 50 0 ACAARO NC(=[NH2+])SC1=CS(=O)(=O)CC1 5034100 169139638 /nfs/dbraw/zinc/13/96/38/169139638.db2.gz LHNHIPABTZBETK-UHFFFAOYSA-N 1 0 192.265 0.273 50 0 ACAARO NC(=[NH2+])c1cc(F)c(N)c(F)c1 88125031 169139668 /nfs/dbraw/zinc/13/96/68/169139668.db2.gz OPOIFFUOOSHNHD-UHFFFAOYSA-N 1 0 171.150 0.831 50 0 ACAARO NC(=[NH2+])[C@H](O)c1ccc2c(c1)OCO2 1842959 169139677 /nfs/dbraw/zinc/13/96/77/169139677.db2.gz DPOREOOGDLINFI-MRVPVSSYSA-N 1 0 194.190 0.385 50 0 in-man ACAARO NC(=[NH2+])SCCN1CCCC1=O 4713498 169139780 /nfs/dbraw/zinc/13/97/80/169139780.db2.gz MNVRWLSSUTXHBX-UHFFFAOYSA-N 1 0 187.268 0.235 50 0 ACAARO NC(=[NH2+])Nc1ccc2c(c1)OCO2 12325070 169139801 /nfs/dbraw/zinc/13/98/01/169139801.db2.gz OZINHCFSCQEUPW-UHFFFAOYSA-N 1 0 179.179 0.721 50 0 in-vitro ACAARO NC(=[NH2+])SCc1csc(N)n1 8617634 169139874 /nfs/dbraw/zinc/13/98/74/169139874.db2.gz ZJOZQGURSDEMQX-UHFFFAOYSA-N 1 0 188.281 0.852 50 0 ACAARO NC(=[NH2+])Nc1ccc2c(c1)OCCO2 20857763 169139909 /nfs/dbraw/zinc/13/99/09/169139909.db2.gz SOBSYGGSAKHFRZ-UHFFFAOYSA-N 1 0 193.206 0.763 50 0 ACAARO NC(=[NH2+])[C@@H](O)c1ccccc1 2014683 169139990 /nfs/dbraw/zinc/13/99/90/169139990.db2.gz AFXGCWGNLJLYEZ-ZETCQYMHSA-N 1 0 150.181 0.656 50 0 ACAARO NC(=[NH2+])c1c(F)ccc(F)c1N 60203130 169140024 /nfs/dbraw/zinc/14/00/24/169140024.db2.gz PPENDLRMCJUOOG-UHFFFAOYSA-N 1 0 171.150 0.831 50 0 ACAARO NC(=[NH2+])[C@@H](O)c1ccc2c(c1)OCO2 559 169140137 /nfs/dbraw/zinc/14/01/37/169140137.db2.gz DPOREOOGDLINFI-QMMMGPOBSA-N 1 0 194.190 0.385 50 0 in-man ACAARO NC(=[NH2+])SCC1(O)CCOCC1 5376108 169140197 /nfs/dbraw/zinc/14/01/97/169140197.db2.gz ZAOONFYZCYJQSX-UHFFFAOYSA-N 1 0 190.268 0.155 50 0 ACAARO NC(=[NH2+])c1cc(N2CCCC2)ccn1 61813962 169140297 /nfs/dbraw/zinc/14/02/97/169140297.db2.gz PTKYKQHDFAZHJC-UHFFFAOYSA-N 1 0 190.250 0.966 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(F)cn1 71186671 169140591 /nfs/dbraw/zinc/14/05/91/169140591.db2.gz HXQLOIZDVCCXNT-UHFFFAOYSA-N 1 0 139.133 0.505 50 0 ACAARO NC(=[NH2+])c1ccoc1 161811 169140599 /nfs/dbraw/zinc/14/05/99/169140599.db2.gz NPTVCIGQICWSLH-UHFFFAOYSA-N 1 0 110.116 0.564 50 0 in-vitro ACAARO [NH2+]=C(NCCO)NC1CCCC1 50285676 169140723 /nfs/dbraw/zinc/14/07/23/169140723.db2.gz ONGCJDJLOBZSJE-UHFFFAOYSA-N 1 0 171.244 0.035 50 0 ACAARO NC(=[NH2+])c1ccc2cnccc2n1 67173614 169140812 /nfs/dbraw/zinc/14/08/12/169140812.db2.gz BOJGHRQDEALHIT-UHFFFAOYSA-N 1 0 172.191 0.914 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(C(N)=O)cc1 105171 169140845 /nfs/dbraw/zinc/14/08/45/169140845.db2.gz HKMIWYWBIYCXFQ-UHFFFAOYSA-N 1 0 163.180 0.070 50 0 in-vitro ACAARO NC(=[NH2+])c1ccccc1N 83267496 169140895 /nfs/dbraw/zinc/14/08/95/169140895.db2.gz LGKDEBYYRWXEDL-UHFFFAOYSA-N 1 0 135.170 0.553 50 0 ACAARO NC(=[NH2+])c1ccc(N)c(N)c1 40443187 169140960 /nfs/dbraw/zinc/14/09/60/169140960.db2.gz YQQCEOMFCLGSTF-UHFFFAOYSA-N 1 0 150.185 0.135 50 0 ACAARO NC(=[NH2+])c1ccc(N2CCCC2)cn1 83250308 169140971 /nfs/dbraw/zinc/14/09/71/169140971.db2.gz XALFHLBRCMCJFK-UHFFFAOYSA-N 1 0 190.250 0.966 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(N2CCCC2)nc1 19470551 169140973 /nfs/dbraw/zinc/14/09/73/169140973.db2.gz ODFQDBVKPBIKBH-UHFFFAOYSA-N 1 0 190.250 0.966 50 0 in-vitro ACAARO NC(=[NH2+])c1cccc(N2CCCC2)n1 81620166 169141047 /nfs/dbraw/zinc/14/10/47/169141047.db2.gz PIDZNSGGGBYWDA-UHFFFAOYSA-N 1 0 190.250 0.966 50 0 in-vitro ACAARO NC(=[NH2+])c1cccnc1 165409 169141105 /nfs/dbraw/zinc/14/11/05/169141105.db2.gz FVGUUJNEJJPLCS-UHFFFAOYSA-N 1 0 121.143 0.366 50 0 in-vitro ACAARO NC(=[NH2+])c1cscn1 83598431 169141298 /nfs/dbraw/zinc/14/12/98/169141298.db2.gz GDTDIYWCUMNNPO-UHFFFAOYSA-N 1 0 127.172 0.427 50 0 in-vitro ACAARO NC(=[NH2+])c1ccccc1 36634 169141319 /nfs/dbraw/zinc/14/13/19/169141319.db2.gz PXXJHWLDUBFPOL-UHFFFAOYSA-N 1 0 120.155 0.971 50 0 in-vivo ACAARO NC(=[NH2+])c1cnn(CC(F)(F)F)c1 40544242 169141347 /nfs/dbraw/zinc/14/13/47/169141347.db2.gz BDOFCLKVEFKVDC-UHFFFAOYSA-N 1 0 192.144 0.729 50 0 ACAARO NC(=[NH2+])c1cccc(N)c1 154559 169141436 /nfs/dbraw/zinc/14/14/36/169141436.db2.gz VWDSNVUXQDDXBN-UHFFFAOYSA-N 1 0 135.170 0.553 50 0 in-vitro ACAARO NC(=[NH2+])c1nc2ccccc2[nH]1 394976 169141501 /nfs/dbraw/zinc/14/15/01/169141501.db2.gz DKMZVRTWQBZKME-UHFFFAOYSA-N 1 0 160.180 0.847 50 0 ACAARO NC(=[NH2+])c1ccc(F)nc1 95644290 169141534 /nfs/dbraw/zinc/14/15/34/169141534.db2.gz RHQWTGCRDHBTOR-UHFFFAOYSA-N 1 0 139.133 0.505 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(C=O)cc1 4502579 169141549 /nfs/dbraw/zinc/14/15/49/169141549.db2.gz WMFQLLSIPXELTN-UHFFFAOYSA-N 1 0 148.165 0.783 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc2[nH]cnc2c1 3871099 169141583 /nfs/dbraw/zinc/14/15/83/169141583.db2.gz UHGFPMUGEQINGV-UHFFFAOYSA-N 1 0 160.180 0.847 50 0 in-vivo ACAARO NC(=[NH2+])c1cccc(O)c1 1749240 169141658 /nfs/dbraw/zinc/14/16/58/169141658.db2.gz KXVXWFZZYKNVJS-UHFFFAOYSA-N 1 0 136.154 0.676 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(N)cc1 156390 169141666 /nfs/dbraw/zinc/14/16/66/169141666.db2.gz WPANETAWYGDRLL-UHFFFAOYSA-N 1 0 135.170 0.553 50 0 in-vitro ACAARO NC(=[NH2+])c1ccccn1 156702 169141681 /nfs/dbraw/zinc/14/16/81/169141681.db2.gz KNXKVYCVGXFLES-UHFFFAOYSA-N 1 0 121.143 0.366 50 0 in-vitro ACAARO NC(=[NH2+])n1nnc2ccccc21 5520086 169141740 /nfs/dbraw/zinc/14/17/40/169141740.db2.gz PYLUJEDSEQRWTK-UHFFFAOYSA-N 1 0 161.168 0.173 50 0 in-vitro ACAARO NC(=[NH2+])c1ccncc1 2389932 169141851 /nfs/dbraw/zinc/14/18/51/169141851.db2.gz BIJRUEBMNUUNIJ-UHFFFAOYSA-N 1 0 121.143 0.366 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc[nH]1 34121751 169141888 /nfs/dbraw/zinc/14/18/88/169141888.db2.gz FSUPKDUNLKQBCN-UHFFFAOYSA-N 1 0 109.132 0.299 50 0 ACAARO NC(=[NH2+])c1cccc(C=O)c1 2581098 169141898 /nfs/dbraw/zinc/14/18/98/169141898.db2.gz GXPBBYFOLVWXRG-UHFFFAOYSA-N 1 0 148.165 0.783 50 0 in-vitro ACAARO NC(=[NH2+])c1ccc(O)cc1 154053 169141911 /nfs/dbraw/zinc/14/19/11/169141911.db2.gz YYXYBWIDIWTCGS-UHFFFAOYSA-N 1 0 136.154 0.676 50 0 in-vitro ACAARO [NH2+]=C(n1ccnc1)n1ccnc1 67175692 169142971 /nfs/dbraw/zinc/14/29/71/169142971.db2.gz FKGQRXQOODICAT-UHFFFAOYSA-N 1 0 161.168 0.411 50 0 in-vitro ACAARO N=C(NO)c1ccccn1 436633 169143221 /nfs/dbraw/zinc/14/32/21/169143221.db2.gz XKXCGXSHUNVFCT-UHFFFAOYSA-N 1 0 137.142 0.386 50 0 in-vitro ACAARO NNC(=[NH2+])c1ccnc(Cl)c1 29753743 169143351 /nfs/dbraw/zinc/14/33/51/169143351.db2.gz MRYFCMRKCMVGHH-UHFFFAOYSA-N 1 0 170.603 0.524 50 0 ACAARO NNC(=[NH2+])c1cc(F)cc(F)c1 42291358 169143390 /nfs/dbraw/zinc/14/33/90/169143390.db2.gz ITSXIVGDMJDGQP-UHFFFAOYSA-N 1 0 171.150 0.753 50 0 in-vitro ACAARO NC1=[NH+]CCCC1 2141055 169143440 /nfs/dbraw/zinc/14/34/40/169143440.db2.gz DHGUMNJVFYRSIG-UHFFFAOYSA-N 1 0 98.149 0.737 50 0 in-vivo ACAARO NNC(=[NH2+])c1cc(F)ccc1F 42038572 169143742 /nfs/dbraw/zinc/14/37/42/169143742.db2.gz FYIGLHMYOQXQIF-UHFFFAOYSA-N 1 0 171.150 0.753 50 0 in-vitro ACAARO Nc1[nH][nH]c2cc(=[NH2+])ccc1-2 71261639 169144460 /nfs/dbraw/zinc/14/44/60/169144460.db2.gz YHHLMQVUJKPHIX-UHFFFAOYSA-N 1 0 148.169 0.509 50 0 ACAARO [NH2+]=c1c[n+](C2CCCCC2)[n-]o1 15962208 169144657 /nfs/dbraw/zinc/14/46/57/169144657.db2.gz YPPZWMTYTNOSKM-UHFFFAOYSA-N 1 0 168.220 0.880 50 0 ACAARO NC(=O)C1([NH3+])C2CC3CC(C2)CC1C3 55026497 169146425 /nfs/dbraw/zinc/14/64/25/169146425.db2.gz XUXCZQPJNQAHMK-UHFFFAOYSA-N 1 0 194.278 0.625 50 0 ACAARO NC(=O)C1([NH3+])CCCCC1 19430303 169146562 /nfs/dbraw/zinc/14/65/62/169146562.db2.gz GQEXBJOPGJUKIL-UHFFFAOYSA-N 1 0 142.202 0.133 50 0 in-vitro ACAARO NC(=O)C1([NH3+])CCCCCC1 20281011 169146690 /nfs/dbraw/zinc/14/66/90/169146690.db2.gz KMIKLGPOGVJVPI-UHFFFAOYSA-N 1 0 156.229 0.523 50 0 in-vitro ACAARO NC(=O)C1([NH+]2CCCC2)CCOCC1 96034636 169146815 /nfs/dbraw/zinc/14/68/15/169146815.db2.gz XZLQKPCDHDAOKC-UHFFFAOYSA-N 1 0 198.266 0.117 50 0 in-vitro ACAARO NC(=O)CC1([NH3+])CCCCC1 39074245 169148303 /nfs/dbraw/zinc/14/83/03/169148303.db2.gz ZYWMEVIOOGVDMP-UHFFFAOYSA-N 1 0 156.229 0.523 50 0 ACAARO NC(=O)CCC1CC[NH2+]CC1 12343602 169148342 /nfs/dbraw/zinc/14/83/42/169148342.db2.gz TZONNMJKAPGHSN-UHFFFAOYSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO NC(=O)CC[NH2+]C1CCCCC1 19736916 169148967 /nfs/dbraw/zinc/14/89/67/169148967.db2.gz PQCXYSAZMNHCSS-UHFFFAOYSA-N 1 0 170.256 0.784 50 0 in-vitro ACAARO NC(=O)CC[NH2+]C1CCCC1 19736943 169149291 /nfs/dbraw/zinc/14/92/91/169149291.db2.gz PPINGHWYXMRULB-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 ACAARO NC(=O)CC[NH2+]Cc1ccccc1 2273624 169149441 /nfs/dbraw/zinc/14/94/41/169149441.db2.gz GGJZFUWYCGSBCO-UHFFFAOYSA-N 1 0 178.235 0.652 50 0 ACAARO NC(=O)CC[NH2+]CCc1ccccc1 2568906 169149566 /nfs/dbraw/zinc/14/95/66/169149566.db2.gz MGFDDFHJSUZRFK-UHFFFAOYSA-N 1 0 192.262 0.694 50 0 in-vitro ACAARO NC(=O)CC[NH2+]Cc1ccco1 4345417 169149619 /nfs/dbraw/zinc/14/96/19/169149619.db2.gz HOJDEFJNISXNEY-UHFFFAOYSA-N 1 0 168.196 0.245 50 0 in-vitro ACAARO NC(=O)CC[NH2+]Cc1cccnc1 19736872 169149738 /nfs/dbraw/zinc/14/97/38/169149738.db2.gz YPTSYWFJVWRLQY-UHFFFAOYSA-N 1 0 179.223 0.047 50 0 ACAARO NC(=O)CC[NH2+]Cc1cccs1 19736844 169149771 /nfs/dbraw/zinc/14/97/71/169149771.db2.gz LEEWFQPRAUBGBN-UHFFFAOYSA-N 1 0 184.264 0.713 50 0 ACAARO NC(=O)CC[C@@H]1CCC[NH2+]C1 19090704 169149804 /nfs/dbraw/zinc/14/98/04/169149804.db2.gz FVGJUODBCPPKLO-ZETCQYMHSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO NC(=O)CC[C@H]1CCC[NH2+]C1 19090707 169149868 /nfs/dbraw/zinc/14/98/68/169149868.db2.gz FVGJUODBCPPKLO-SSDOTTSWSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 39987570 169150559 /nfs/dbraw/zinc/15/05/59/169150559.db2.gz XZKFUKODIJEUCG-VHSXEESVSA-N 1 0 196.294 0.984 50 0 ACAARO NC(=O)C[NH2+]Cc1ccccc1 53040633 169151275 /nfs/dbraw/zinc/15/12/75/169151275.db2.gz COMVTJIXFQQFIN-UHFFFAOYSA-N 1 0 164.208 0.262 50 0 in-vitro ACAARO NC(=O)C[NH2+]C1CCCC1 22150266 169151367 /nfs/dbraw/zinc/15/13/67/169151367.db2.gz JTBBPRCNRPLJRX-UHFFFAOYSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 39987572 169151443 /nfs/dbraw/zinc/15/14/43/169151443.db2.gz XZKFUKODIJEUCG-UWVGGRQHSA-N 1 0 196.294 0.984 50 0 ACAARO NC(=O)C[NH2+]C1Cc2ccccc2C1 9005 169151912 /nfs/dbraw/zinc/15/19/12/169151912.db2.gz MNLULKBKWKTZPE-UHFFFAOYSA-N 1 0 190.246 0.229 50 0 investigational ACAARO NC(=O)C[NH2+]Cc1ccc(F)cc1 22143467 169152172 /nfs/dbraw/zinc/15/21/72/169152172.db2.gz ULJWGWPBXAYBBE-UHFFFAOYSA-N 1 0 182.198 0.401 50 0 ACAARO NC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 55124197 169152940 /nfs/dbraw/zinc/15/29/40/169152940.db2.gz HBONPVDVGITQKU-RNFRBKRXSA-N 1 0 156.229 0.379 50 0 ACAARO NC(=O)C[C@@H]1CCC[NH2+]CC1 108331635 169153166 /nfs/dbraw/zinc/15/31/66/169153166.db2.gz LAWLDZFDAGIUGJ-SSDOTTSWSA-N 1 0 156.229 0.252 50 0 ACAARO NC(=O)C[C@@H]([NH3+])c1ccccc1 19470853 169153301 /nfs/dbraw/zinc/15/33/01/169153301.db2.gz LWTUSLSPLDBOBT-MRVPVSSYSA-N 1 0 164.208 0.562 50 0 ACAARO NC(=O)C[C@@H]1CCCC[NH2+]1 4593855 169153362 /nfs/dbraw/zinc/15/33/62/169153362.db2.gz RNGRYWXHDOJTFX-LURJTMIESA-N 1 0 142.202 0.004 50 0 biogenic,in-vitro ACAARO NC(=O)C[C@@H]([NH3+])c1ccc(F)cc1 19045355 169153774 /nfs/dbraw/zinc/15/37/74/169153774.db2.gz CJSZVUCCALYNSE-MRVPVSSYSA-N 1 0 182.198 0.701 50 0 in-vitro ACAARO NC(=O)C[C@@H]([NH3+])C1CCCCC1 51689955 169153783 /nfs/dbraw/zinc/15/37/83/169153783.db2.gz ZBHYMBGLJYOYSZ-MRVPVSSYSA-N 1 0 170.256 0.769 50 0 in-vitro ACAARO NC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 55124200 169153945 /nfs/dbraw/zinc/15/39/45/169153945.db2.gz HBONPVDVGITQKU-RQJHMYQMSA-N 1 0 156.229 0.379 50 0 ACAARO NC(=O)C[C@H]1CCC[C@H]([NH3+])C1 55124199 169154591 /nfs/dbraw/zinc/15/45/91/169154591.db2.gz HBONPVDVGITQKU-BQBZGAKWSA-N 1 0 156.229 0.379 50 0 ACAARO NC(=O)C[C@H]([NH3+])c1ccccc1 19470851 169154606 /nfs/dbraw/zinc/15/46/06/169154606.db2.gz LWTUSLSPLDBOBT-QMMMGPOBSA-N 1 0 164.208 0.562 50 0 ACAARO NC(=O)C[C@H]([NH3+])C1CCCCC1 51689956 169154705 /nfs/dbraw/zinc/15/47/05/169154705.db2.gz ZBHYMBGLJYOYSZ-QMMMGPOBSA-N 1 0 170.256 0.769 50 0 in-vitro ACAARO NC(=O)C[C@H]1CCC[NH2+]CC1 108331634 169154992 /nfs/dbraw/zinc/15/49/92/169154992.db2.gz LAWLDZFDAGIUGJ-ZETCQYMHSA-N 1 0 156.229 0.252 50 0 ACAARO NC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 55124195 169155163 /nfs/dbraw/zinc/15/51/63/169155163.db2.gz HBONPVDVGITQKU-NKWVEPMBSA-N 1 0 156.229 0.379 50 0 ACAARO NC(=O)C[C@H]1CCCC[NH2+]1 4593858 169155275 /nfs/dbraw/zinc/15/52/75/169155275.db2.gz RNGRYWXHDOJTFX-ZCFIWIBFSA-N 1 0 142.202 0.004 50 0 biogenic,in-vitro ACAARO NC(=O)C[C@H]([NH3+])c1ccc(F)cc1 19045351 169155445 /nfs/dbraw/zinc/15/54/45/169155445.db2.gz CJSZVUCCALYNSE-QMMMGPOBSA-N 1 0 182.198 0.701 50 0 in-vitro ACAARO NC(=O)[C@@H]([NH3+])c1ccccc1 19810017 169159038 /nfs/dbraw/zinc/15/90/38/169159038.db2.gz KIYRSYYOVDHSPG-ZETCQYMHSA-N 1 0 150.181 0.172 50 0 in-vitro ACAARO NC(=O)OC[C@H]([NH3+])Cc1ccccc1 34278783 169159093 /nfs/dbraw/zinc/15/90/93/169159093.db2.gz UCTRAOBQFUDCSR-SECBINFHSA-N 1 0 194.234 0.652 50 0 in-vitro ACAARO NC(=O)[C@@H]([NH3+])Cc1ccccc1 16051972 169159211 /nfs/dbraw/zinc/15/92/11/169159211.db2.gz OBSIQMZKFXFYLV-QMMMGPOBSA-N 1 0 164.208 0.042 50 0 biogenic,in-vivo ACAARO NC(=O)OC[C@@H]([NH3+])Cc1ccccc1 34836735 169159370 /nfs/dbraw/zinc/15/93/70/169159370.db2.gz UCTRAOBQFUDCSR-VIFPVBQESA-N 1 0 194.234 0.652 50 0 ACAARO NC(=O)[C@@H]([NH3+])CC1CCCCC1 2567659 169159467 /nfs/dbraw/zinc/15/94/67/169159467.db2.gz RIMQFSSKEWEZKE-QMMMGPOBSA-N 1 0 170.256 0.769 50 0 ACAARO NC(=O)[C@@H]([NH3+])c1ccc(F)cc1 37395574 169159597 /nfs/dbraw/zinc/15/95/97/169159597.db2.gz CMFSFITWLXHVOP-ZETCQYMHSA-N 1 0 168.171 0.311 50 0 ACAARO NC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1 34124456 169159606 /nfs/dbraw/zinc/15/96/06/169159606.db2.gz OAEXPYINDLENKI-QMMMGPOBSA-N 1 0 198.653 0.695 50 0 in-vitro ACAARO NC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1 33975314 169159686 /nfs/dbraw/zinc/15/96/86/169159686.db2.gz KYSWRPGOPMCGMW-ZETCQYMHSA-N 1 0 184.626 0.825 50 0 in-vitro ACAARO NC(=O)[C@@H]([NH2+]CC1CC1)C1CC1 41047441 169160123 /nfs/dbraw/zinc/16/01/23/169160123.db2.gz FRRJUQVZHDHGPJ-QMMMGPOBSA-N 1 0 168.240 0.250 50 0 in-vitro ACAARO NC(=O)[C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 238855821 169160528 /nfs/dbraw/zinc/16/05/28/169160528.db2.gz SUWKBFYOTJPEHX-DJLDLDEBSA-N 1 0 182.267 0.640 50 0 ACAARO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 19472637 169160639 /nfs/dbraw/zinc/16/06/39/169160639.db2.gz LGNJUPFFTXYXON-CSMHCCOUSA-N 1 0 168.240 0.392 50 0 in-vitro ACAARO NC(=O)[C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 22213938 169160738 /nfs/dbraw/zinc/16/07/38/169160738.db2.gz SUWKBFYOTJPEHX-IWSPIJDZSA-N 1 0 182.267 0.640 50 0 ACAARO NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 34650936 169160895 /nfs/dbraw/zinc/16/08/95/169160895.db2.gz JFMNKDRNEZZRBW-VIFPVBQESA-N 1 0 176.219 0.186 50 0 in-vitro ACAARO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 19472633 169161182 /nfs/dbraw/zinc/16/11/82/169161182.db2.gz LGNJUPFFTXYXON-FXQIFTODSA-N 1 0 168.240 0.392 50 0 in-vitro ACAARO NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] 74941834 169161259 /nfs/dbraw/zinc/16/12/59/169161259.db2.gz HZCQRNAKHGZSIY-RNFRBKRXSA-N 1 0 156.229 0.379 50 0 in-vitro ACAARO NC(=O)[C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 36875306 169161379 /nfs/dbraw/zinc/16/13/79/169161379.db2.gz SUWKBFYOTJPEHX-YIZRAAEISA-N 1 0 182.267 0.640 50 0 ACAARO NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] 74941838 169161408 /nfs/dbraw/zinc/16/14/08/169161408.db2.gz HZCQRNAKHGZSIY-RQJHMYQMSA-N 1 0 156.229 0.379 50 0 in-vitro ACAARO NC(=O)[C@@H]1[NH2+]CCc2ccccc21 39238064 169161545 /nfs/dbraw/zinc/16/15/45/169161545.db2.gz SWXSODIZVQALAJ-SECBINFHSA-N 1 0 176.219 0.359 50 0 in-vitro ACAARO NC(=O)[C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 22213933 169161716 /nfs/dbraw/zinc/16/17/16/169161716.db2.gz SUWKBFYOTJPEHX-HLTSFMKQSA-N 1 0 182.267 0.640 50 0 ACAARO NC(=O)[C@H]([NH3+])CCC(F)(F)F 83144757 169161947 /nfs/dbraw/zinc/16/19/47/169161947.db2.gz JNHJLLWYQJNHIR-GSVOUGTGSA-N 1 0 170.134 0.142 50 0 ACAARO NC(=O)[C@H]([NH3+])c1ccc(F)cc1 37395575 169162065 /nfs/dbraw/zinc/16/20/65/169162065.db2.gz CMFSFITWLXHVOP-SSDOTTSWSA-N 1 0 168.171 0.311 50 0 ACAARO NC(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1 34124457 169162228 /nfs/dbraw/zinc/16/22/28/169162228.db2.gz OAEXPYINDLENKI-MRVPVSSYSA-N 1 0 198.653 0.695 50 0 in-vitro ACAARO NC(=O)[C@H]([NH3+])Cc1ccccc1 19514483 169162303 /nfs/dbraw/zinc/16/23/03/169162303.db2.gz OBSIQMZKFXFYLV-MRVPVSSYSA-N 1 0 164.208 0.042 50 0 in-vitro ACAARO NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] 74941837 169162317 /nfs/dbraw/zinc/16/23/17/169162317.db2.gz HZCQRNAKHGZSIY-BQBZGAKWSA-N 1 0 156.229 0.379 50 0 in-vitro ACAARO NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 299805279 169162330 /nfs/dbraw/zinc/16/23/30/169162330.db2.gz GXJDPGHGDUCWQC-NSHDSACASA-N 1 0 190.246 0.403 50 0 ACAARO NC(=O)[C@H]1CCCCC[C@H]1[NH3+] 74941833 169162533 /nfs/dbraw/zinc/16/25/33/169162533.db2.gz HZCQRNAKHGZSIY-NKWVEPMBSA-N 1 0 156.229 0.379 50 0 in-vitro ACAARO NC(=O)[C@H]([NH2+]CC1CC1)C1CC1 41047442 169163032 /nfs/dbraw/zinc/16/30/32/169163032.db2.gz FRRJUQVZHDHGPJ-MRVPVSSYSA-N 1 0 168.240 0.250 50 0 in-vitro ACAARO NC(=O)[C@H]([NH3+])c1ccccc1 19810012 169163123 /nfs/dbraw/zinc/16/31/23/169163123.db2.gz KIYRSYYOVDHSPG-SSDOTTSWSA-N 1 0 150.181 0.172 50 0 in-vitro ACAARO NC(=O)[C@H]([NH3+])c1ccc(Cl)cc1 33975315 169163169 /nfs/dbraw/zinc/16/31/69/169163169.db2.gz KYSWRPGOPMCGMW-SSDOTTSWSA-N 1 0 184.626 0.825 50 0 in-vitro ACAARO NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 299805278 169163587 /nfs/dbraw/zinc/16/35/87/169163587.db2.gz GXJDPGHGDUCWQC-LLVKDONJSA-N 1 0 190.246 0.403 50 0 ACAARO NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 34781260 169163653 /nfs/dbraw/zinc/16/36/53/169163653.db2.gz JFMNKDRNEZZRBW-SECBINFHSA-N 1 0 176.219 0.186 50 0 in-vitro ACAARO NC(=O)[C@H]1[NH2+]CCc2ccccc21 39238063 169163921 /nfs/dbraw/zinc/16/39/21/169163921.db2.gz SWXSODIZVQALAJ-VIFPVBQESA-N 1 0 176.219 0.359 50 0 in-vitro ACAARO NC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]1 96034664 169164464 /nfs/dbraw/zinc/16/44/64/169164464.db2.gz YAFZGWDDRQXPLX-NXEZZACHSA-N 1 0 190.246 0.965 50 0 in-vitro ACAARO NC(=S)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 57218448 169166715 /nfs/dbraw/zinc/16/67/15/169166715.db2.gz XYTSWSRPTJQXAQ-RQJHMYQMSA-N 1 0 186.280 0.136 50 0 in-vitro ACAARO NC(=S)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 57218449 169166752 /nfs/dbraw/zinc/16/67/52/169166752.db2.gz XYTSWSRPTJQXAQ-BQBZGAKWSA-N 1 0 186.280 0.136 50 0 in-vitro ACAARO NC(=S)[C@H]1C[N@@H+]2CCC[C@H]2CO1 57218451 169166784 /nfs/dbraw/zinc/16/67/84/169166784.db2.gz XYTSWSRPTJQXAQ-NKWVEPMBSA-N 1 0 186.280 0.136 50 0 in-vitro ACAARO NC(=S)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 57218450 169166818 /nfs/dbraw/zinc/16/68/18/169166818.db2.gz XYTSWSRPTJQXAQ-RNFRBKRXSA-N 1 0 186.280 0.136 50 0 in-vitro ACAARO [NH3+]C1(C2CC2)CCOCC1 23789537 169168852 /nfs/dbraw/zinc/16/88/52/169168852.db2.gz KAZBZSJVGLDZTH-UHFFFAOYSA-N 1 0 141.214 0.904 50 0 ACAARO NC1(C[NH+]2CCCCC2)CC1 32445534 169168876 /nfs/dbraw/zinc/16/88/76/169168876.db2.gz HFHCKUJNYGGXTK-UHFFFAOYSA-N 1 0 154.257 0.964 50 0 in-vitro ACAARO [NH3+]C1(CO)Cc2ccccc2C1 38124736 169168908 /nfs/dbraw/zinc/16/89/08/169168908.db2.gz KWGNCGJHXQVIOE-UHFFFAOYSA-N 1 0 163.220 0.475 50 0 in-vitro ACAARO [NH3+]C1(CCO)CCCC1 78724529 169169075 /nfs/dbraw/zinc/16/90/75/169169075.db2.gz AEOJCRVFEIVJSZ-UHFFFAOYSA-N 1 0 129.203 0.640 50 0 in-vitro ACAARO [NH3+]C1(C2CC2)CC1 19092142 169169118 /nfs/dbraw/zinc/16/91/18/169169118.db2.gz RTSBJFZXDBBUSI-UHFFFAOYSA-N 1 0 97.161 0.888 50 0 in-vitro ACAARO [NH3+]C1(CO)CC=CC1 2527635 169169139 /nfs/dbraw/zinc/16/91/39/169169139.db2.gz NWIIFKYGKOLKML-UHFFFAOYSA-N 1 0 113.160 0.026 50 0 ACAARO [NH3+]C1(C2CCOCC2)CC1 82838573 169169286 /nfs/dbraw/zinc/16/92/86/169169286.db2.gz FXUQQEAOOMSXHG-UHFFFAOYSA-N 1 0 141.214 0.904 50 0 in-vitro ACAARO [NH3+]C1(CO)CCSCC1 2527676 169169330 /nfs/dbraw/zinc/16/93/30/169169330.db2.gz HWKDOXLSRXDTGS-UHFFFAOYSA-N 1 0 147.243 0.203 50 0 in-vitro ACAARO [NH3+]C1(CO)CCCC1 154791 169169522 /nfs/dbraw/zinc/16/95/22/169169522.db2.gz PDNZJLMPXLQDPL-UHFFFAOYSA-N 1 0 115.176 0.250 50 0 in-vitro ACAARO [NH3+]C1(C(F)F)CC1 211590280 169169552 /nfs/dbraw/zinc/16/95/52/169169552.db2.gz GGAQLRFMGBZYMS-UHFFFAOYSA-N 1 0 107.103 0.743 50 0 in-vitro ACAARO [NH3+]C1(C(=O)NCC2CC2)CCCC1 37479367 169169601 /nfs/dbraw/zinc/16/96/01/169169601.db2.gz MCOHJMAPISWQMP-UHFFFAOYSA-N 1 0 182.267 0.784 50 0 in-vitro ACAARO [NH3+]C1(CF)CC1 96361355 169169611 /nfs/dbraw/zinc/16/96/11/169169611.db2.gz VCNKCWHQFSVVPH-UHFFFAOYSA-N 1 0 89.113 0.447 50 0 ACAARO [NH3+]C1(CCO)CCC1 72266673 169169614 /nfs/dbraw/zinc/16/96/14/169169614.db2.gz AKJLCLKIEWILAH-UHFFFAOYSA-N 1 0 115.176 0.250 50 0 in-vitro ACAARO [NH3+]C1(COc2ccccc2)COC1 71654966 169169635 /nfs/dbraw/zinc/16/96/35/169169635.db2.gz WSPIRYONDNDLGN-UHFFFAOYSA-N 1 0 179.219 0.793 50 0 ACAARO NC1(C(F)(F)F)CC[NH2+]CC1 57219039 169169640 /nfs/dbraw/zinc/16/96/40/169169640.db2.gz OWOLXDUIPBPYAW-UHFFFAOYSA-N 1 0 168.162 0.630 50 0 ACAARO [NH3+]C1(CN2CCOCC2)CCCCC1 19727532 169169641 /nfs/dbraw/zinc/16/96/41/169169641.db2.gz FRCQVIXJQKSHHF-UHFFFAOYSA-N 1 0 198.310 0.980 50 0 in-vitro ACAARO [NH3+]C1(CO)CC(F)(F)C1 95644300 169169664 /nfs/dbraw/zinc/16/96/64/169169664.db2.gz IPTIROQWVYCEFV-UHFFFAOYSA-N 1 0 137.129 0.105 50 0 in-vitro ACAARO [NH3+]C1(COc2ccc(F)cc2)COC1 71654946 169169677 /nfs/dbraw/zinc/16/96/77/169169677.db2.gz WROQMEOUNONLBE-UHFFFAOYSA-N 1 0 197.209 0.932 50 0 ACAARO [NH3+]C1(CN2CCOCC2)CCCC1 19371051 169169692 /nfs/dbraw/zinc/16/96/92/169169692.db2.gz PUXLUPPFIWESNZ-UHFFFAOYSA-N 1 0 184.283 0.590 50 0 in-vitro ACAARO [NH3+]C1(CO)CCCCC1 1561940 169169765 /nfs/dbraw/zinc/16/97/65/169169765.db2.gz VDPLLINNMXFNQX-UHFFFAOYSA-N 1 0 129.203 0.640 50 0 in-vitro ACAARO NC1=[NH+]CCC1 12946088 169170625 /nfs/dbraw/zinc/17/06/25/169170625.db2.gz NJBMZYSKLWQXLJ-UHFFFAOYSA-N 1 0 84.122 0.137 50 0 in-vivo ACAARO NC1=[NH+]CCCCC1 13746433 169170663 /nfs/dbraw/zinc/17/06/63/169170663.db2.gz GTLJSJNKRLFVSJ-UHFFFAOYSA-N 1 0 112.176 0.918 50 0 in-vivo ACAARO [NH2+]=C1NCCN1c1ccccc1 139150 169170714 /nfs/dbraw/zinc/17/07/14/169170714.db2.gz DILMDBKVKPVPRX-UHFFFAOYSA-N 1 0 161.208 0.821 50 0 ACAARO NC1=[NH+]CC[C@@H](C(F)(F)F)N1 95704696 169170760 /nfs/dbraw/zinc/17/07/60/169170760.db2.gz XQPLGEPIKQRPRQ-VKHMYHEASA-N 1 0 167.134 0.225 50 0 ACAARO NC1=[NH+]CCSC1 11920122 169170916 /nfs/dbraw/zinc/17/09/16/169170916.db2.gz KLCGUDSBFDKXCQ-UHFFFAOYSA-N 1 0 116.189 0.090 50 0 ACAARO NC1=[NH+]CCCS1 17744492 169171076 /nfs/dbraw/zinc/17/10/76/169171076.db2.gz PQXQEOIFIUJLIE-UHFFFAOYSA-N 1 0 116.189 0.438 50 0 in-vivo ACAARO NC1=[NH+]CC[C@H](C(F)(F)F)N1 95704697 169171088 /nfs/dbraw/zinc/17/10/88/169171088.db2.gz XQPLGEPIKQRPRQ-GSVOUGTGSA-N 1 0 167.134 0.225 50 0 ACAARO [NH2+]=C1NCC(c2ccccc2)CN1 27732917 169171386 /nfs/dbraw/zinc/17/13/86/169171386.db2.gz BOTTZUQJTYCKHU-UHFFFAOYSA-N 1 0 175.235 0.688 50 0 ACAARO NC1=[NH+]CCS1 18354955 169171427 /nfs/dbraw/zinc/17/14/27/169171427.db2.gz REGFWZVTTFGQOJ-UHFFFAOYSA-N 1 0 102.162 0.048 50 0 in-vivo ACAARO [NH2+]=C1C=C(c2ccccc2)NCCN1 19909419 169171502 /nfs/dbraw/zinc/17/15/02/169171502.db2.gz XPWZYNDAEUMIAW-UHFFFAOYSA-N 1 0 187.246 0.988 50 0 ACAARO [NH3+]C1CC2(CC2)C1 83174454 169171768 /nfs/dbraw/zinc/17/17/68/169171768.db2.gz SNXLWVHULKWWHJ-UHFFFAOYSA-N 1 0 97.161 0.888 50 0 in-vitro ACAARO [NH3+]C1CCC(CO)CC1 1640342 169171921 /nfs/dbraw/zinc/17/19/21/169171921.db2.gz 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/nfs/dbraw/zinc/17/22/08/169172208.db2.gz RKATWUBDSJHPEV-UHFFFAOYSA-N 1 0 107.103 0.743 50 0 in-vitro ACAARO [NH3+]C1CCC(CCO)CC1 72099145 169172310 /nfs/dbraw/zinc/17/23/10/169172310.db2.gz XLKSLYGRARRUJP-UHFFFAOYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]C1CC=CC1 2569641 169172371 /nfs/dbraw/zinc/17/23/71/169172371.db2.gz LJSBEPFUQWPNBZ-UHFFFAOYSA-N 1 0 83.134 0.664 50 0 in-vitro ACAARO [NH3+]C1CC(F)C1 68577113 169172609 /nfs/dbraw/zinc/17/26/09/169172609.db2.gz APCSZMINSACNSQ-UHFFFAOYSA-N 1 0 89.113 0.446 50 0 in-vitro ACAARO [NH3+]C1CC(O)(C(F)(F)F)C1 57218916 169172616 /nfs/dbraw/zinc/17/26/16/169172616.db2.gz AEVIMGJBSUCKLH-UHFFFAOYSA-N 1 0 155.119 0.401 50 0 ACAARO [NH3+]C1CC(O)(c2ccccc2)C1 87652910 169172679 /nfs/dbraw/zinc/17/26/79/169172679.db2.gz HUBPBXOJGYIWLJ-UHFFFAOYSA-N 1 0 163.220 0.995 50 0 ACAARO [NH3+]C1CC2(C1)CC(O)C2 95743416 169172722 /nfs/dbraw/zinc/17/27/22/169172722.db2.gz JQGJXMXVZNOHOQ-UHFFFAOYSA-N 1 0 127.187 0.249 50 0 ACAARO [NH3+]C1CCC(N2CCCC2=O)CC1 19421938 169172792 /nfs/dbraw/zinc/17/27/92/169172792.db2.gz BHPOOWBWUQPPQQ-UHFFFAOYSA-N 1 0 182.267 0.879 50 0 ACAARO [NH2+]=C1NCc2ccccc2N1 28255523 169172806 /nfs/dbraw/zinc/17/28/06/169172806.db2.gz GQRRWNLARRRPRY-UHFFFAOYSA-N 1 0 147.181 0.736 50 0 in-vivo ACAARO [NH3+]C1CC1 8437671 169172820 /nfs/dbraw/zinc/17/28/20/169172820.db2.gz HTJDQJBWANPRPF-UHFFFAOYSA-N 1 0 57.096 0.108 50 0 in-vitro ACAARO [NH3+]C1CCN(C(=O)[C@H]2CCCO2)CC1 20267654 169173349 /nfs/dbraw/zinc/17/33/49/169173349.db2.gz SXVWRZFSNJOVPH-SECBINFHSA-N 1 0 198.266 0.115 50 0 ACAARO [NH3+]C1CCOCC1 1529088 169173384 /nfs/dbraw/zinc/17/33/84/169173384.db2.gz AHVQYHFYQWKUKB-UHFFFAOYSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO [NH3+]C1CCC1 1679992 169173398 /nfs/dbraw/zinc/17/33/98/169173398.db2.gz KZZKOVLJUKWSKX-UHFFFAOYSA-N 1 0 71.123 0.498 50 0 ACAARO [NH3+]C1Cc2cc3c(cc2C1)OCO3 6091496 169173456 /nfs/dbraw/zinc/17/34/56/169173456.db2.gz FQDRMHHCWZAXJM-UHFFFAOYSA-N 1 0 177.203 0.841 50 0 in-vitro ACAARO [NH3+]C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 289629 169173487 /nfs/dbraw/zinc/17/34/87/169173487.db2.gz HMPCLMSUNVOZLH-ALPUWHEMSA-N 1 0 167.252 0.885 50 0 ACAARO [NH3+]C1C[C@@H]2CC[C@H](C1)C2O 85385933 169173726 /nfs/dbraw/zinc/17/37/26/169173726.db2.gz OQEQDEPUUVCWCA-XEDAXZNXSA-N 1 0 141.214 0.495 50 0 ACAARO [NH3+]C1C[C@H]2COC[C@@H]2C1 76571733 169173842 /nfs/dbraw/zinc/17/38/42/169173842.db2.gz KVZWFZRFPLXNJF-WDSKDSINSA-N 1 0 127.187 0.370 50 0 ACAARO [NH3+]C1CSC1 34327690 169173845 /nfs/dbraw/zinc/17/38/45/169173845.db2.gz GNWIATZLVXZUEL-UHFFFAOYSA-N 1 0 89.163 0.061 50 0 in-vitro ACAARO [NH3+]C1C[C@@H]2CC[C@H](C1)O2 115703478 169173926 /nfs/dbraw/zinc/17/39/26/169173926.db2.gz LTDXJGJQKVIVHB-DGUCWDHESA-N 1 0 127.187 0.655 50 0 ACAARO [NH3+]C1C[C@@H]2COC[C@H]2C1 76571746 169174041 /nfs/dbraw/zinc/17/40/41/169174041.db2.gz KVZWFZRFPLXNJF-PHDIDXHHSA-N 1 0 127.187 0.370 50 0 ACAARO [NH3+]CC(=O)N1CCc2ccccc2C1 11956734 169174281 /nfs/dbraw/zinc/17/42/81/169174281.db2.gz HVIFKULLEDZOTD-UHFFFAOYSA-N 1 0 190.246 0.530 50 0 in-vitro ACAARO [NH3+]CC(=O)N1Cc2ccccc2C1 50912416 169174345 /nfs/dbraw/zinc/17/43/45/169174345.db2.gz PJEVMIOUSWALSF-UHFFFAOYSA-N 1 0 176.219 0.488 50 0 in-vitro ACAARO [NH3+]CC(=O)NCCC1CCCC1 37740065 169174378 /nfs/dbraw/zinc/17/43/78/169174378.db2.gz MAPTWODTYQSFMD-UHFFFAOYSA-N 1 0 170.256 0.642 50 0 ACAARO [NH3+]CC(=O)N1CCc2ccccc21 11956821 169174800 /nfs/dbraw/zinc/17/48/00/169174800.db2.gz WLXBBTRDAKJZQM-UHFFFAOYSA-N 1 0 176.219 0.534 50 0 in-vitro ACAARO [NH3+]CC(=O)N1CCc2sccc2C1 21953445 169174851 /nfs/dbraw/zinc/17/48/51/169174851.db2.gz NRRHFNCSXNXKHA-UHFFFAOYSA-N 1 0 196.275 0.592 50 0 in-vitro ACAARO [NH3+]CC(=O)NCc1ccccc1 11956647 169175198 /nfs/dbraw/zinc/17/51/98/169175198.db2.gz MYZCBJRJVXAQIV-UHFFFAOYSA-N 1 0 164.208 0.262 50 0 in-vitro ACAARO [NH3+]CC(=O)NC1CCCC1 11956602 169175206 /nfs/dbraw/zinc/17/52/06/169175206.db2.gz BHRVKIXDBWVUEH-UHFFFAOYSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO [NH3+]CC(=O)NCc1ccc(Cl)cc1 11956688 169175266 /nfs/dbraw/zinc/17/52/66/169175266.db2.gz PIUDJKVJZZECNL-UHFFFAOYSA-N 1 0 198.653 0.915 50 0 ACAARO [NH3+]CC(=O)NC1CCCCC1 1653016 169175384 /nfs/dbraw/zinc/17/53/84/169175384.db2.gz MQLOXQXPTSLRTG-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 in-vitro ACAARO [NH3+]CC(=O)NC1Cc2ccccc2C1 49538589 169175445 /nfs/dbraw/zinc/17/54/45/169175445.db2.gz UWPTYLJSWCCUFZ-UHFFFAOYSA-N 1 0 190.246 0.229 50 0 ACAARO [NH3+]CC(=O)NCCc1ccccc1 11956729 169175493 /nfs/dbraw/zinc/17/54/93/169175493.db2.gz AOTLMPMRTWNYBN-UHFFFAOYSA-N 1 0 178.235 0.304 50 0 in-vitro ACAARO [NH3+]CC1(CO)CCCCC1 20264017 169177777 /nfs/dbraw/zinc/17/77/77/169177777.db2.gz XEESKQOQUSLLOT-UHFFFAOYSA-N 1 0 143.230 0.888 50 0 in-vitro ACAARO NCC1([NH+]2CCCCC2)CCOCC1 36304819 169178054 /nfs/dbraw/zinc/17/80/54/169178054.db2.gz BSOUHAMPERXQNR-UHFFFAOYSA-N 1 0 198.310 0.980 50 0 in-vitro ACAARO [NH3+]CC1CCC1 1602488 169178186 /nfs/dbraw/zinc/17/81/86/169178186.db2.gz LQNHRNOPWKZUSN-UHFFFAOYSA-N 1 0 85.150 0.745 50 0 in-vitro ACAARO [NH3+]CC1SCCS1 39215790 169178188 /nfs/dbraw/zinc/17/81/88/169178188.db2.gz HXKZAVMODXTMAI-UHFFFAOYSA-N 1 0 135.257 0.751 50 0 ACAARO [NH3+]CC1CC2(COC2)C1 95630856 169178193 /nfs/dbraw/zinc/17/81/93/169178193.db2.gz WSYVSHRXSUYFFB-UHFFFAOYSA-N 1 0 127.187 0.372 50 0 in-vitro ACAARO [NH3+]CC1CC=CC1 78724387 169178236 /nfs/dbraw/zinc/17/82/36/169178236.db2.gz MKLFRAVVYRKTRH-UHFFFAOYSA-N 1 0 97.161 0.911 50 0 ACAARO [NH3+]CCC(=O)NCc1cccnc1 11755139 169178467 /nfs/dbraw/zinc/17/84/67/169178467.db2.gz IFUCMVSFAKXATJ-UHFFFAOYSA-N 1 0 179.223 0.047 50 0 in-vitro ACAARO [NH3+]CCC(=O)NCc1ccccc1 1674974 169178500 /nfs/dbraw/zinc/17/85/00/169178500.db2.gz HUJKQHPTZJRELA-UHFFFAOYSA-N 1 0 178.235 0.652 50 0 in-vitro ACAARO [NH3+]CCC(=O)Nc1cccnc1 19261476 169178539 /nfs/dbraw/zinc/17/85/39/169178539.db2.gz DDVXMLOGLVCVFO-UHFFFAOYSA-N 1 0 165.196 0.369 50 0 ACAARO [NH3+]CCC(=O)Nc1ccccn1 11755260 169178554 /nfs/dbraw/zinc/17/85/54/169178554.db2.gz AVBXKPRMXNZCON-UHFFFAOYSA-N 1 0 165.196 0.369 50 0 in-vitro ACAARO [NH3+]CCC1CCC(O)CC1 45028214 169178580 /nfs/dbraw/zinc/17/85/80/169178580.db2.gz FNHBFOVJIPXNFL-UHFFFAOYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]CCC(=O)NCc1ccccn1 11755138 169178727 /nfs/dbraw/zinc/17/87/27/169178727.db2.gz YNNPRPWYOWELRM-UHFFFAOYSA-N 1 0 179.223 0.047 50 0 in-vitro ACAARO [NH3+]CCC(=O)Nc1nccs1 19093049 169178748 /nfs/dbraw/zinc/17/87/48/169178748.db2.gz PDAGLZQIWYSIEW-UHFFFAOYSA-N 1 0 171.225 0.430 50 0 in-vitro ACAARO [NH3+]CCC1CCS(=O)(=O)CC1 43559445 169178752 /nfs/dbraw/zinc/17/87/52/169178752.db2.gz HLAOHLRNYLAIDS-UHFFFAOYSA-N 1 0 177.269 0.160 50 0 in-vitro ACAARO [NH3+]CCCC(=O)N1CCCC1 11755292 169178851 /nfs/dbraw/zinc/17/88/51/169178851.db2.gz PQXWFFNPZFYZAZ-UHFFFAOYSA-N 1 0 156.229 0.348 50 0 ACAARO [NH3+]CCC1CC1 19045367 169178864 /nfs/dbraw/zinc/17/88/64/169178864.db2.gz ZOGZOXRETBBBJI-UHFFFAOYSA-N 1 0 85.150 0.745 50 0 in-vitro ACAARO [NH3+]CCC1CC(O)C1 98095589 169178887 /nfs/dbraw/zinc/17/88/87/169178887.db2.gz 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/nfs/dbraw/zinc/17/93/32/169179332.db2.gz OAJCCDYAAMJBNI-UHFFFAOYSA-N 1 0 115.176 0.108 50 0 ACAARO [NH3+]CCC(F)F 37755420 169179398 /nfs/dbraw/zinc/17/93/98/169179398.db2.gz ITYSTTQEKQMPKF-UHFFFAOYSA-N 1 0 95.092 0.600 50 0 in-vitro ACAARO [NH3+]CCC1=CCOCC1 83255213 169179431 /nfs/dbraw/zinc/17/94/31/169179431.db2.gz TZQPRJMTBOOQSL-UHFFFAOYSA-N 1 0 127.187 0.682 50 0 in-vitro ACAARO [NH3+]CCC1=CSC2=NCCN12 3883059 169179482 /nfs/dbraw/zinc/17/94/82/169179482.db2.gz YXZGZKUMMPLOIW-UHFFFAOYSA-N 1 0 169.253 0.595 50 0 ACAARO [NH3+]CCC(=O)Nc1ccncc1 22166946 169179557 /nfs/dbraw/zinc/17/95/57/169179557.db2.gz CITPGORMHNCNJL-UHFFFAOYSA-N 1 0 165.196 0.369 50 0 in-vitro ACAARO [NH3+]CCC1(O)CCC1 82631305 169179569 /nfs/dbraw/zinc/17/95/69/169179569.db2.gz WWLKXJUIICTWFX-UHFFFAOYSA-N 1 0 115.176 0.250 50 0 in-vitro ACAARO [NH3+]CCC(=O)c1cnc2ncccn12 82888046 169179578 /nfs/dbraw/zinc/17/95/78/169179578.db2.gz ROWJFMQPLCNHSP-UHFFFAOYSA-N 1 0 190.206 0.261 50 0 ACAARO [NH3+]CCC(=O)NCc1ccco1 11755125 169179663 /nfs/dbraw/zinc/17/96/63/169179663.db2.gz KOAXRXJOSBAADW-UHFFFAOYSA-N 1 0 168.196 0.245 50 0 ACAARO [NH3+]CCC(=O)Nc1ccccc1 2389509 169179695 /nfs/dbraw/zinc/17/96/95/169179695.db2.gz JNWVYFVCBJPQTO-UHFFFAOYSA-N 1 0 164.208 0.974 50 0 in-vitro ACAARO [NH3+]CCC(F)(F)F 2040579 169179759 /nfs/dbraw/zinc/17/97/59/169179759.db2.gz NGZVNONVXYLYQW-UHFFFAOYSA-N 1 0 113.082 0.898 50 0 in-vitro ACAARO [NH3+]C[C@H]1COC2(CCCC2)O1 20264030 169216948 /nfs/dbraw/zinc/21/69/48/169216948.db2.gz ZOLMPZZVRYBREN-ZETCQYMHSA-N 1 0 157.213 0.631 50 0 in-vitro ACAARO [NH3+]CCCCCn1ccnn1 34439413 169180000 /nfs/dbraw/zinc/18/00/00/169180000.db2.gz OFYDBAVNSTYJRY-UHFFFAOYSA-N 1 0 154.217 0.407 50 0 ACAARO [NH3+]CCCC(=O)Nc1cn[nH]c1 35764250 169180061 /nfs/dbraw/zinc/18/00/61/169180061.db2.gz JFAFJTVSMBZZDQ-UHFFFAOYSA-N 1 0 168.200 0.087 50 0 in-vitro ACAARO [NH3+]CCCCCO 1841184 169180127 /nfs/dbraw/zinc/18/01/27/169180127.db2.gz LQGKDMHENBFVRC-UHFFFAOYSA-N 1 0 103.165 0.108 50 0 in-vitro ACAARO [NH3+]CCCC(=O)Nc1ccncc1 2009623 169180140 /nfs/dbraw/zinc/18/01/40/169180140.db2.gz IDEFTWXZLWVDQB-UHFFFAOYSA-N 1 0 179.223 0.759 50 0 ACAARO [NH3+]CCCC(=O)NC1CC1 11755288 169180252 /nfs/dbraw/zinc/18/02/52/169180252.db2.gz FXFSJYAYBIVACJ-UHFFFAOYSA-N 1 0 142.202 0.004 50 0 ACAARO [NH3+]CCCCN1CCCCC1=O 20295800 169180260 /nfs/dbraw/zinc/18/02/60/169180260.db2.gz ZPIZXCIFIRMHBH-UHFFFAOYSA-N 1 0 170.256 0.738 50 0 in-vitro ACAARO [NH3+]CCCCF 78192969 169180272 /nfs/dbraw/zinc/18/02/72/169180272.db2.gz CULGXMIWFKMPMB-UHFFFAOYSA-N 1 0 91.129 0.695 50 0 in-vitro ACAARO [NH3+]CCCC1(O)CCC1 95644755 169180494 /nfs/dbraw/zinc/18/04/94/169180494.db2.gz WWQQVYVKJPPCHT-UHFFFAOYSA-N 1 0 129.203 0.640 50 0 ACAARO [NH3+]CCCC(=O)Nc1cccnc1 19438758 169180725 /nfs/dbraw/zinc/18/07/25/169180725.db2.gz NJJLOAWOXRJNKY-UHFFFAOYSA-N 1 0 179.223 0.759 50 0 ACAARO [NH3+]CCCCCCCO 21985700 169180740 /nfs/dbraw/zinc/18/07/40/169180740.db2.gz KYJSXYQQYWMITG-UHFFFAOYSA-N 1 0 131.219 0.888 50 0 ACAARO [NH3+]CCCCCCN1C(=O)C=CC1=O 44563768 169180769 /nfs/dbraw/zinc/18/07/69/169180769.db2.gz HNWOYAYJUYWRGD-UHFFFAOYSA-N 1 0 196.250 0.431 50 0 in-vitro ACAARO [NH3+]CCCCCCO 1592422 169181172 /nfs/dbraw/zinc/18/11/72/169181172.db2.gz SUTWPJHCRAITLU-UHFFFAOYSA-N 1 0 117.192 0.498 50 0 biogenic,in-vitro ACAARO [NH3+]CCCCN1C(=O)CSC1=O 4545123 169181181 /nfs/dbraw/zinc/18/11/81/169181181.db2.gz NDVCULYQRPVLGL-UHFFFAOYSA-N 1 0 188.252 0.421 50 0 in-vitro ACAARO [NH3+]CCCC(F)F 2547827 169181330 /nfs/dbraw/zinc/18/13/30/169181330.db2.gz UREOFAQFBIQBEZ-UHFFFAOYSA-N 1 0 109.119 0.990 50 0 ACAARO [NH3+]CCCC(=O)NC1CCC1 52211001 169181369 /nfs/dbraw/zinc/18/13/69/169181369.db2.gz GJTHWEQUWYNATH-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 ACAARO [NH3+]CCCCCN1C(=O)C=CC1=O 44563770 169181499 /nfs/dbraw/zinc/18/14/99/169181499.db2.gz AHLAQJXELUHIEW-UHFFFAOYSA-N 1 0 182.223 0.040 50 0 in-vitro ACAARO [NH3+]CCCF 2040570 169181962 /nfs/dbraw/zinc/18/19/62/169181962.db2.gz YTHVGJSPULXGNY-UHFFFAOYSA-N 1 0 77.102 0.305 50 0 in-vitro ACAARO [NH3+]CCCCNCC(F)(F)F 40410615 169181988 /nfs/dbraw/zinc/18/19/88/169181988.db2.gz IUHRWLXAYUNXLS-UHFFFAOYSA-N 1 0 170.178 0.877 50 0 ACAARO [NH3+]CCCCn1ccnc1 2598094 169182032 /nfs/dbraw/zinc/18/20/32/169182032.db2.gz JVZPYJSJSQIEOG-UHFFFAOYSA-N 1 0 139.202 0.622 50 0 in-vitro ACAARO [NH3+]CCCCn1cnnc1 2598093 169182139 /nfs/dbraw/zinc/18/21/39/169182139.db2.gz VOXGHUHKUYDIHW-UHFFFAOYSA-N 1 0 140.190 0.017 50 0 in-vitro ACAARO [NH3+]CCCCc1ncc[nH]1 39474862 169182307 /nfs/dbraw/zinc/18/23/07/169182307.db2.gz IMDBGSYBIGYHOE-UHFFFAOYSA-N 1 0 139.202 0.691 50 0 ACAARO [NH3+]CCC[N@@H+]1CCC[C@@H](CO)C1 6855294 169182474 /nfs/dbraw/zinc/18/24/74/169182474.db2.gz LEGYMQGRRTXEDZ-SECBINFHSA-N 1 0 172.272 0.040 50 0 in-vitro ACAARO [NH3+]CCCCn1ccnn1 82655448 169182558 /nfs/dbraw/zinc/18/25/58/169182558.db2.gz FXQOTTKAHLPLGZ-UHFFFAOYSA-N 1 0 140.190 0.017 50 0 in-vitro ACAARO [NH3+]CCCCc1cn[nH]c1 71790352 169182601 /nfs/dbraw/zinc/18/26/01/169182601.db2.gz MAWBFGDJZLMFTC-UHFFFAOYSA-N 1 0 139.202 0.691 50 0 in-vitro ACAARO [NH3+]CCC[N@@H+]1CCC[C@H](CO)C1 6855271 169182854 /nfs/dbraw/zinc/18/28/54/169182854.db2.gz LEGYMQGRRTXEDZ-VIFPVBQESA-N 1 0 172.272 0.040 50 0 in-vitro ACAARO [NH3+]CCCN1C(=O)CSC1=O 2554126 169182886 /nfs/dbraw/zinc/18/28/86/169182886.db2.gz IVMXLHAJLFCYSI-UHFFFAOYSA-N 1 0 174.225 0.031 50 0 ACAARO [NH3+]CCCN1CCCCCC1=O 4205087 169183053 /nfs/dbraw/zinc/18/30/53/169183053.db2.gz IZYZHQOYVLYGRW-UHFFFAOYSA-N 1 0 170.256 0.738 50 0 in-vitro ACAARO [NH3+]CCCCn1ccccc1=O 19282403 169183077 /nfs/dbraw/zinc/18/30/77/169183077.db2.gz YKOYFXSPKGVQSV-UHFFFAOYSA-N 1 0 166.224 0.587 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccco1 4299003 169183110 /nfs/dbraw/zinc/18/31/10/169183110.db2.gz MSKZFRQYKIUIAL-UHFFFAOYSA-N 1 0 168.196 0.358 50 0 ACAARO [NH3+]CCCNc1ncccn1 19488499 169183142 /nfs/dbraw/zinc/18/31/42/169183142.db2.gz FHYDQGOVTLQZSZ-UHFFFAOYSA-N 1 0 152.201 0.237 50 0 in-vitro ACAARO [NH3+]CCCOC1CCOCC1 40992378 169183195 /nfs/dbraw/zinc/18/31/95/169183195.db2.gz HRCPDNJZTQBONR-UHFFFAOYSA-N 1 0 159.229 0.531 50 0 in-vitro ACAARO [NH3+]CCCNc1ccccn1 19433035 169183210 /nfs/dbraw/zinc/18/32/10/169183210.db2.gz CNDAFPBECHAXDU-UHFFFAOYSA-N 1 0 151.213 0.842 50 0 in-vitro ACAARO [NH3+]CCCOCC1CC1 4207372 169183284 /nfs/dbraw/zinc/18/32/84/169183284.db2.gz JEFPOPWVKGDXGE-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)C1CCC1 19489037 169183342 /nfs/dbraw/zinc/18/33/42/169183342.db2.gz QSSCOPFAVXABOS-UHFFFAOYSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1cccc(F)c1 19516910 169183421 /nfs/dbraw/zinc/18/34/21/169183421.db2.gz BMPOXPIXLUZIQQ-UHFFFAOYSA-N 1 0 196.225 0.904 50 0 in-vitro ACAARO [NH3+]CCCOC[C@@H]1CCCO1 4218300 169183450 /nfs/dbraw/zinc/18/34/50/169183450.db2.gz ZHIAVIDSLPGDOZ-QMMMGPOBSA-N 1 0 159.229 0.531 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccccn1 4299009 169183454 /nfs/dbraw/zinc/18/34/54/169183454.db2.gz PNAOGJLKKQKQDU-UHFFFAOYSA-N 1 0 179.223 0.160 50 0 in-vitro ACAARO [NH3+]CCCOC(F)F 96034605 169183476 /nfs/dbraw/zinc/18/34/76/169183476.db2.gz NGOXWLLNLLNQFF-UHFFFAOYSA-N 1 0 125.118 0.574 50 0 in-vitro ACAARO [NH3+]CCCNc1cccnc1 19090975 169183492 /nfs/dbraw/zinc/18/34/92/169183492.db2.gz ZQMAVYVCEUHMSB-UHFFFAOYSA-N 1 0 151.213 0.842 50 0 in-vitro ACAARO [NH3+]CCCN1Cc2ccccc2C1=O 40449792 169183499 /nfs/dbraw/zinc/18/34/99/169183499.db2.gz RZGRERYMMAWVAF-UHFFFAOYSA-N 1 0 190.246 0.991 50 0 ACAARO [NH3+]CCCOC[C@H]1CCCO1 4218299 169183555 /nfs/dbraw/zinc/18/35/55/169183555.db2.gz ZHIAVIDSLPGDOZ-MRVPVSSYSA-N 1 0 159.229 0.531 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccccc1 1676319 169183560 /nfs/dbraw/zinc/18/35/60/169183560.db2.gz AOGPUGLWMPUQQZ-UHFFFAOYSA-N 1 0 178.235 0.765 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccccc1O 19470442 169183571 /nfs/dbraw/zinc/18/35/71/169183571.db2.gz ZKOOSTQXWGNFJT-UHFFFAOYSA-N 1 0 194.234 0.471 50 0 ACAARO [NH3+]CCCOCC1CCOCC1 52151334 169183589 /nfs/dbraw/zinc/18/35/89/169183589.db2.gz YUVCBNOSUHZGAY-UHFFFAOYSA-N 1 0 173.256 0.778 50 0 in-vitro ACAARO [NH3+]CCCOC[C@@H]1CCOC1 49688980 169183644 /nfs/dbraw/zinc/18/36/44/169183644.db2.gz WISWWPZLAUZKRG-QMMMGPOBSA-N 1 0 159.229 0.388 50 0 in-vitro ACAARO [NH3+]CCCOC[C@H]1CCOC1 49688981 169183751 /nfs/dbraw/zinc/18/37/51/169183751.db2.gz WISWWPZLAUZKRG-MRVPVSSYSA-N 1 0 159.229 0.388 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1cccnc1 19441976 169183799 /nfs/dbraw/zinc/18/37/99/169183799.db2.gz VOTVWGRMVIHZLI-UHFFFAOYSA-N 1 0 179.223 0.160 50 0 ACAARO [NH3+]CCCn1cc2[nH]cccc-2c1=O 40449774 169183952 /nfs/dbraw/zinc/18/39/52/169183952.db2.gz VOWCJNATVIPVIV-UHFFFAOYSA-N 1 0 191.234 0.386 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1cccs1 19435945 169183983 /nfs/dbraw/zinc/18/39/83/169183983.db2.gz XJXXGRPGNYDVQZ-UHFFFAOYSA-N 1 0 184.264 0.827 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1cccc(O)c1 19436817 169183991 /nfs/dbraw/zinc/18/39/91/169183991.db2.gz MAWKLMNIHFOCLF-UHFFFAOYSA-N 1 0 194.234 0.471 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccc(F)cc1 19517844 169184028 /nfs/dbraw/zinc/18/40/28/169184028.db2.gz OXWLENFPORTJAL-UHFFFAOYSA-N 1 0 196.225 0.904 50 0 in-vitro ACAARO [NH3+]CCCNC(=O)c1ccc(O)cc1 19505689 169184069 /nfs/dbraw/zinc/18/40/69/169184069.db2.gz IGXXFEKHLADKKH-UHFFFAOYSA-N 1 0 194.234 0.471 50 0 in-vitro ACAARO [NH3+]CCCOCC(F)F 51864734 169184089 /nfs/dbraw/zinc/18/40/89/169184089.db2.gz PAIAKZWTKUUVHN-UHFFFAOYSA-N 1 0 139.145 0.617 50 0 ACAARO [NH3+]CCCNC(=O)c1ccccc1F 19473217 169184120 /nfs/dbraw/zinc/18/41/20/169184120.db2.gz XMNZWQXONZLEGF-UHFFFAOYSA-N 1 0 196.225 0.904 50 0 ACAARO [NH3+]CCCNCc1ccco1 19736924 169184122 /nfs/dbraw/zinc/18/41/22/169184122.db2.gz CJYLPHZWTNERHX-UHFFFAOYSA-N 1 0 154.213 0.718 50 0 ACAARO [NH3+]CCCOC(F)(F)F 71792908 169184142 /nfs/dbraw/zinc/18/41/42/169184142.db2.gz IDEVNGSFUOMYFH-UHFFFAOYSA-N 1 0 143.108 0.872 50 0 ACAARO [NH3+]CCCNC(=O)c1ccncc1 51355039 169184265 /nfs/dbraw/zinc/18/42/65/169184265.db2.gz IRURQJIDPVUYGP-UHFFFAOYSA-N 1 0 179.223 0.160 50 0 ACAARO [NH3+]CCCOc1ncccn1 51870660 169184445 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ACAARO [NH3+]CCNC(=O)Cc1cccc(F)c1 19389702 169188540 /nfs/dbraw/zinc/18/85/40/169188540.db2.gz AWRMEYMCRXFURR-UHFFFAOYSA-N 1 0 196.225 0.443 50 0 in-vitro ACAARO [NH3+]CCN1Cc2ccccc2C1=O 13721640 169188563 /nfs/dbraw/zinc/18/85/63/169188563.db2.gz TTYAQAZCLSOPRX-UHFFFAOYSA-N 1 0 176.219 0.601 50 0 ACAARO [NH3+]CCNC(=O)Cc1ccc(F)cc1 19255527 169188579 /nfs/dbraw/zinc/18/85/79/169188579.db2.gz YPAHAZXFULVNQU-UHFFFAOYSA-N 1 0 196.225 0.443 50 0 ACAARO [NH3+]CCN1C[C@H]2C=C[C@@H]1C2 34933681 169188667 /nfs/dbraw/zinc/18/86/67/169188667.db2.gz LMMHCYXULJUMBC-JGVFFNPUSA-N 1 0 138.214 0.205 50 0 ACAARO [NH3+]CCN1Cc2ccccc2C1 19869409 169188693 /nfs/dbraw/zinc/18/86/93/169188693.db2.gz COFMOMCDQVHTOR-UHFFFAOYSA-N 1 0 162.236 0.961 50 0 in-vitro ACAARO [NH3+]CCNC(=O)Nc1ccccc1 35287544 169188763 /nfs/dbraw/zinc/18/87/63/169188763.db2.gz YZKMURMKJCXVIE-UHFFFAOYSA-N 1 0 179.223 0.767 50 0 in-vitro ACAARO [NH3+]CCN1CCc2ccccc2C1=O 58521254 169188788 /nfs/dbraw/zinc/18/87/88/169188788.db2.gz JNVPZHOHKBJTOO-UHFFFAOYSA-N 1 0 190.246 0.644 50 0 in-vitro ACAARO [NH3+]CCNC(=O)COc1ccccc1 6282746 169188812 /nfs/dbraw/zinc/18/88/12/169188812.db2.gz QMEYHMGPFYXWNU-UHFFFAOYSA-N 1 0 194.234 0.140 50 0 ACAARO [NH3+]CCNC(=O)Cc1ccccc1 19276240 169188848 /nfs/dbraw/zinc/18/88/48/169188848.db2.gz ZIMOHSZCIYGHAR-UHFFFAOYSA-N 1 0 178.235 0.304 50 0 in-vitro ACAARO [NH3+]CCNC(=O)Nc1cccs1 77272350 169188925 /nfs/dbraw/zinc/18/89/25/169188925.db2.gz REYXETMLBGFJST-UHFFFAOYSA-N 1 0 185.252 0.828 50 0 ACAARO [NH3+]CCNC(=O)c1ccc(F)cc1 13834266 169188967 /nfs/dbraw/zinc/18/89/67/169188967.db2.gz OTSNCERWNGFUEG-UHFFFAOYSA-N 1 0 182.198 0.514 50 0 in-vitro ACAARO [NH3+]CCNC(=O)C1CCCC1 22218554 169189031 /nfs/dbraw/zinc/18/90/31/169189031.db2.gz WYZXJFFDMNRBEP-UHFFFAOYSA-N 1 0 156.229 0.252 50 0 in-vitro ACAARO [NH3+]CCNC(=O)OCc1ccccc1 2562440 169189085 /nfs/dbraw/zinc/18/90/85/169189085.db2.gz QMMFTRJQCCVPCE-UHFFFAOYSA-N 1 0 194.234 0.872 50 0 in-vitro ACAARO [NH3+]CCNC(=O)c1ccc(Cl)cn1 1542229 169189089 /nfs/dbraw/zinc/18/90/89/169189089.db2.gz JZXRLKWWVNUZRB-UHFFFAOYSA-N 1 0 199.641 0.424 50 0 in-man ACAARO [NH3+]CCNC(=O)c1ccccc1 1761829 169189802 /nfs/dbraw/zinc/18/98/02/169189802.db2.gz NHWKHNPRDPAXLM-UHFFFAOYSA-N 1 0 164.208 0.375 50 0 in-vitro ACAARO [NH3+]CCNC(=O)c1ccccc1O 22212557 169189811 /nfs/dbraw/zinc/18/98/11/169189811.db2.gz MJPIALJMHRDNQD-UHFFFAOYSA-N 1 0 180.207 0.081 50 0 ACAARO [NH3+]CCNC(=S)Nc1ccccc1 2703213 169189838 /nfs/dbraw/zinc/18/98/38/169189838.db2.gz SASBDWJDZUQEAL-UHFFFAOYSA-N 1 0 195.291 0.932 50 0 ACAARO [NH3+]CCNCCC(F)(F)F 63101427 169189978 /nfs/dbraw/zinc/18/99/78/169189978.db2.gz VDVPGEUEJJDUKZ-UHFFFAOYSA-N 1 0 156.151 0.487 50 0 in-vitro ACAARO [NH3+]CCNc1ccccn1 1646629 169189988 /nfs/dbraw/zinc/18/99/88/169189988.db2.gz TYHXIJJQIJKFSO-UHFFFAOYSA-N 1 0 137.186 0.452 50 0 in-vitro ACAARO NCC[NH2+]C1CCCC1 19364305 169190042 /nfs/dbraw/zinc/19/00/42/169190042.db2.gz PBGOLOVCXMHOLG-UHFFFAOYSA-N 1 0 128.219 0.477 50 0 in-vitro ACAARO [NH3+]CCNc1ccc(F)cn1 41074982 169190102 /nfs/dbraw/zinc/19/01/02/169190102.db2.gz XVIRRQGCKFXHKY-UHFFFAOYSA-N 1 0 155.176 0.591 50 0 ACAARO NCC[NH2+]CCc1ccccc1 19365519 169190124 /nfs/dbraw/zinc/19/01/24/169190124.db2.gz CPCHVLBDLZEKTD-UHFFFAOYSA-N 1 0 164.252 0.777 50 0 ACAARO [NH3+]CCNC(=O)c1cccs1 6222058 169190195 /nfs/dbraw/zinc/19/01/95/169190195.db2.gz HKAFVQQLGBEDEZ-UHFFFAOYSA-N 1 0 170.237 0.437 50 0 ACAARO NCC[NH2+]CCc1ccncc1 39712803 169190621 /nfs/dbraw/zinc/19/06/21/169190621.db2.gz JLKUJTQWPMGUME-UHFFFAOYSA-N 1 0 165.240 0.172 50 0 ACAARO [NH3+]CCNCc1cccc(F)c1 32919586 169190682 /nfs/dbraw/zinc/19/06/82/169190682.db2.gz OPQMQZYIHOTTEL-UHFFFAOYSA-N 1 0 168.215 0.874 50 0 ACAARO Nc1ccccc1NCC[NH3+] 1791382 169190762 /nfs/dbraw/zinc/19/07/62/169190762.db2.gz AFQWAHPEBNLBGZ-UHFFFAOYSA-N 1 0 151.213 0.639 50 0 in-vitro ACAARO NCC[NH2+]C1CCC1 44481721 169190765 /nfs/dbraw/zinc/19/07/65/169190765.db2.gz WSQYKRGHTOZSOZ-UHFFFAOYSA-N 1 0 114.192 0.087 50 0 ACAARO NCC[NH2+]C1CCCCC1 22591305 169190813 /nfs/dbraw/zinc/19/08/13/169190813.db2.gz FCZQPWVILDWRBN-UHFFFAOYSA-N 1 0 142.246 0.867 50 0 ACAARO [NH3+]CCNCc1ccccc1F 19732670 169190864 /nfs/dbraw/zinc/19/08/64/169190864.db2.gz DJZGMJOPGORZNB-UHFFFAOYSA-N 1 0 168.215 0.874 50 0 ACAARO [NH3+]CCNC(=O)c1ccccc1F 13834258 169190932 /nfs/dbraw/zinc/19/09/32/169190932.db2.gz DLBGTHACSSJFCX-UHFFFAOYSA-N 1 0 182.198 0.514 50 0 in-vitro ACAARO [NH3+]CCNCc1ccc(F)cc1 19732671 169190984 /nfs/dbraw/zinc/19/09/84/169190984.db2.gz LTXQTRFSFVWMJB-UHFFFAOYSA-N 1 0 168.215 0.874 50 0 ACAARO [NH3+]CCNCc1ccccn1 19732676 169191041 /nfs/dbraw/zinc/19/10/41/169191041.db2.gz JAOSYYPULNBONK-UHFFFAOYSA-N 1 0 151.213 0.130 50 0 in-vitro ACAARO [NH3+]CCNCC(F)(F)F 40219046 169191092 /nfs/dbraw/zinc/19/10/92/169191092.db2.gz RWXZSIHKMLKCDW-UHFFFAOYSA-N 1 0 142.124 0.097 50 0 in-vitro ACAARO [NH3+]CCNCc1ccccc1 84403364 169191123 /nfs/dbraw/zinc/19/11/23/169191123.db2.gz ACYBVNYNIZTUIL-UHFFFAOYSA-N 1 0 150.225 0.735 50 0 in-vitro ACAARO [NH3+]CCNc1cccc(F)n1 39088634 169191263 /nfs/dbraw/zinc/19/12/63/169191263.db2.gz UYPYFBDSJJUBJY-UHFFFAOYSA-N 1 0 155.176 0.591 50 0 ACAARO [NH3+]CCOC1CCC1 50519196 169191600 /nfs/dbraw/zinc/19/16/00/169191600.db2.gz XOUFUYNNQPAWFG-UHFFFAOYSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO [NH3+]CCS(=O)(=O)CC1CCC1 88061775 169191627 /nfs/dbraw/zinc/19/16/27/169191627.db2.gz OWIYPHGLGOATAL-UHFFFAOYSA-N 1 0 177.269 0.160 50 0 in-vitro ACAARO NC(=O)Cc1ccc(OCC[NH3+])cc1 4110045 169191644 /nfs/dbraw/zinc/19/16/44/169191644.db2.gz RJHOBUHNUIBRHM-UHFFFAOYSA-N 1 0 194.234 0.052 50 0 ACAARO [NH3+]CCS(=O)(=O)c1ccccc1 2386748 169191686 /nfs/dbraw/zinc/19/16/86/169191686.db2.gz HEKKXNNVIAECAN-UHFFFAOYSA-N 1 0 185.248 0.419 50 0 in-vitro ACAARO [NH3+]CCOC(F)F 164471093 169191692 /nfs/dbraw/zinc/19/16/92/169191692.db2.gz XVHQHDWOVYAABP-UHFFFAOYSA-N 1 0 111.091 0.184 50 0 in-vitro ACAARO [NH3+]CCOCC(F)F 51864079 169191702 /nfs/dbraw/zinc/19/17/02/169191702.db2.gz JBJLDKCSRZAHMH-UHFFFAOYSA-N 1 0 125.118 0.227 50 0 in-vitro ACAARO [NH3+]CCOc1ccc(O)cc1 33506784 169191703 /nfs/dbraw/zinc/19/17/03/169191703.db2.gz QSDOKFGRSJQNMX-UHFFFAOYSA-N 1 0 153.181 0.730 50 0 ACAARO [NH3+]CCOc1ccncc1 38874888 169191799 /nfs/dbraw/zinc/19/17/99/169191799.db2.gz YSUKTUWMBAKSSV-UHFFFAOYSA-N 1 0 138.170 0.419 50 0 in-vitro ACAARO [NH3+]CCSC(F)F 37035992 169191807 /nfs/dbraw/zinc/19/18/07/169191807.db2.gz LPZNARIAAJUWRX-UHFFFAOYSA-N 1 0 127.159 0.901 50 0 ACAARO [NH3+]CCOCC(F)(F)F 2510504 169191820 /nfs/dbraw/zinc/19/18/20/169191820.db2.gz UJKUXHKKBUXJMN-UHFFFAOYSA-N 1 0 143.108 0.524 50 0 in-vitro ACAARO [NH3+]CCOC(F)(F)F 15442520 169191871 /nfs/dbraw/zinc/19/18/71/169191871.db2.gz IJAQSERNJJEFFD-UHFFFAOYSA-N 1 0 129.081 0.482 50 0 in-vitro ACAARO [NH3+]CCOCC1CC1 14628595 169191887 /nfs/dbraw/zinc/19/18/87/169191887.db2.gz KPBXIYKZOFFPJF-UHFFFAOYSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO [NH3+]CCSCCCO 37035687 169191911 /nfs/dbraw/zinc/19/19/11/169191911.db2.gz MCTRSQMRIMPHLJ-UHFFFAOYSA-N 1 0 135.232 0.061 50 0 in-vitro ACAARO [NH3+]CCOC[C@H]1CCCO1 4384359 169191936 /nfs/dbraw/zinc/19/19/36/169191936.db2.gz VGFPQGITBRBQAN-SSDOTTSWSA-N 1 0 145.202 0.141 50 0 biogenic,in-vitro ACAARO [NH3+]CCOC1CCOCC1 40992375 169192020 /nfs/dbraw/zinc/19/20/20/169192020.db2.gz UUPHRQRZJVSBPH-UHFFFAOYSA-N 1 0 145.202 0.141 50 0 ACAARO [NH3+]CCOC[C@@H]1CCCO1 4384360 169192025 /nfs/dbraw/zinc/19/20/25/169192025.db2.gz VGFPQGITBRBQAN-ZETCQYMHSA-N 1 0 145.202 0.141 50 0 biogenic,in-vitro ACAARO [NH3+]CCSCC(F)F 37756080 169192035 /nfs/dbraw/zinc/19/20/35/169192035.db2.gz CNFMEGGPIZMBGP-UHFFFAOYSA-N 1 0 141.186 0.943 50 0 in-vitro ACAARO NC(=O)c1ccc(OCC[NH3+])cc1 20271538 169192096 /nfs/dbraw/zinc/19/20/96/169192096.db2.gz MHIAMONBYDFGFO-UHFFFAOYSA-N 1 0 180.207 0.123 50 0 ACAARO [NH3+]CCOc1ccccn1 1592723 169192170 /nfs/dbraw/zinc/19/21/70/169192170.db2.gz TUVONOFKFDJHBJ-UHFFFAOYSA-N 1 0 138.170 0.419 50 0 in-vitro ACAARO [NH3+]CCO[C@H]1CCCCO1 26899113 169192182 /nfs/dbraw/zinc/19/21/82/169192182.db2.gz GUHZIGLRPPALBJ-ZETCQYMHSA-N 1 0 145.202 0.488 50 0 in-vitro ACAARO NC(=O)c1ccccc1OCC[NH3+] 19488507 169192187 /nfs/dbraw/zinc/19/21/87/169192187.db2.gz HDOCYUANOWIHAQ-UHFFFAOYSA-N 1 0 180.207 0.123 50 0 in-vitro ACAARO [NH3+]CCOC1CCCC1 22169380 169192211 /nfs/dbraw/zinc/19/22/11/169192211.db2.gz QUTGXAIWZAMYEM-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO [NH3+]CCOCC(F)(F)C(F)F 20517866 169192214 /nfs/dbraw/zinc/19/22/14/169192214.db2.gz CKFWNSPHTUEFTF-UHFFFAOYSA-N 1 0 175.125 0.862 50 0 in-vitro ACAARO [NH3+]CCS(=O)(=O)Cc1ccccc1 19480383 169192244 /nfs/dbraw/zinc/19/22/44/169192244.db2.gz HFXOJXCIDOLORW-UHFFFAOYSA-N 1 0 199.275 0.560 50 0 in-vitro ACAARO [NH3+]CCOc1cccnc1 33961386 169192250 /nfs/dbraw/zinc/19/22/50/169192250.db2.gz WKMLARMIRUVDDF-UHFFFAOYSA-N 1 0 138.170 0.419 50 0 in-vitro ACAARO [NH3+]CCOc1ccccc1O 22061064 169192270 /nfs/dbraw/zinc/19/22/70/169192270.db2.gz XLHORNMWQFLFAF-UHFFFAOYSA-N 1 0 153.181 0.730 50 0 in-vitro ACAARO [NH3+]CCOCC1CCC1 14628597 169192297 /nfs/dbraw/zinc/19/22/97/169192297.db2.gz FFBGCGQJTVTFOC-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 ACAARO [NH3+]CCS(=O)(=O)c1cccs1 11896445 169192330 /nfs/dbraw/zinc/19/23/30/169192330.db2.gz GLPQCELTTQZIBG-UHFFFAOYSA-N 1 0 191.277 0.481 50 0 in-vitro ACAARO [NH3+]CCOc1cccc(O)c1 116171918 169192354 /nfs/dbraw/zinc/19/23/54/169192354.db2.gz RKQYPSBLKLOZDB-UHFFFAOYSA-N 1 0 153.181 0.730 50 0 ACAARO [NH3+]CCOc1ccc2c(c1)OCO2 11945841 169192391 /nfs/dbraw/zinc/19/23/91/169192391.db2.gz ZMEQUDXFAHZUPR-UHFFFAOYSA-N 1 0 181.191 0.753 50 0 in-vitro ACAARO [NH3+]CCO[C@@H]1CCCCO1 26899110 169192454 /nfs/dbraw/zinc/19/24/54/169192454.db2.gz GUHZIGLRPPALBJ-SSDOTTSWSA-N 1 0 145.202 0.488 50 0 in-vitro ACAARO [NH3+]CC[C@@H](O)C1CCCC1 82409432 169192886 /nfs/dbraw/zinc/19/28/86/169192886.db2.gz BRILOPFSXNUUNJ-MRVPVSSYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]CC[C@@H](O)C(F)(F)F 37179503 169193000 /nfs/dbraw/zinc/19/30/00/169193000.db2.gz VRZHVYTYYVVFSE-GSVOUGTGSA-N 1 0 143.108 0.258 50 0 in-vitro ACAARO [NH3+]CC[C@@H]1CCCCC(=O)N1 2490513 169193174 /nfs/dbraw/zinc/19/31/74/169193174.db2.gz RUQXXUQEDUYQJZ-ZETCQYMHSA-N 1 0 156.229 0.394 50 0 ACAARO [NH3+]CC[C@@H](O)c1ccco1 19674830 169193245 /nfs/dbraw/zinc/19/32/45/169193245.db2.gz FTQWHMJXTUBPPJ-ZCFIWIBFSA-N 1 0 141.170 0.662 50 0 ACAARO N[C@H](CC[NH3+])C(F)(F)F 50285738 169193398 /nfs/dbraw/zinc/19/33/98/169193398.db2.gz SKJDAWLQEAUBDF-GSVOUGTGSA-N 1 0 142.124 0.225 50 0 ACAARO [NH3+]CC[C@@H]1CCCCO1 14628954 169193412 /nfs/dbraw/zinc/19/34/12/169193412.db2.gz XHMSRGDEBWJLBE-ZETCQYMHSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO [NH3+]CC[C@@H](O)c1ccoc1 83557761 169193474 /nfs/dbraw/zinc/19/34/74/169193474.db2.gz OARTUIJAOPOUKN-SSDOTTSWSA-N 1 0 141.170 0.662 50 0 ACAARO [NH3+]CC[C@@H]1CC1(F)F 95762154 169193547 /nfs/dbraw/zinc/19/35/47/169193547.db2.gz JFMDNCKAFKFJTR-SCSAIBSYSA-N 1 0 121.130 0.990 50 0 ACAARO [NH3+]CC[C@@H](O)C1CC1 41166809 169193693 /nfs/dbraw/zinc/19/36/93/169193693.db2.gz ZUYFDEBXACJPLM-ZCFIWIBFSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]CC[C@@]1(O)C(=O)Nc2ccccc21 71372471 169193962 /nfs/dbraw/zinc/19/39/62/169193962.db2.gz HNUPUAJMDGUSKM-JTQLQIEISA-N 1 0 192.218 0.175 50 0 in-vitro ACAARO [NH3+]CC[C@@H]1CCCO1 6904723 169193965 /nfs/dbraw/zinc/19/39/65/169193965.db2.gz ZCOIVJPCZLPQPT-LURJTMIESA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO N[C@@H](CC[NH3+])C(F)(F)F 50285737 169194178 /nfs/dbraw/zinc/19/41/78/169194178.db2.gz SKJDAWLQEAUBDF-VKHMYHEASA-N 1 0 142.124 0.225 50 0 ACAARO [NH3+]CC[C@@H]1CCC[C@H]1O 82411120 169194208 /nfs/dbraw/zinc/19/42/08/169194208.db2.gz CCRJKTYWEKYEAA-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]CC[C@H](O)C(F)(F)F 37179501 169194332 /nfs/dbraw/zinc/19/43/32/169194332.db2.gz VRZHVYTYYVVFSE-VKHMYHEASA-N 1 0 143.108 0.258 50 0 in-vitro ACAARO [NH3+]CC[C@H](O)C1CCCC1 82409433 169194354 /nfs/dbraw/zinc/19/43/54/169194354.db2.gz BRILOPFSXNUUNJ-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]CC[C@@H]1CCO1 76570028 169194431 /nfs/dbraw/zinc/19/44/31/169194431.db2.gz UFNYTHZFYPQOIX-RXMQYKEDSA-N 1 0 101.149 0.124 50 0 ACAARO [NH3+]CC[C@H](O)C1CC1 41166811 169194574 /nfs/dbraw/zinc/19/45/74/169194574.db2.gz ZUYFDEBXACJPLM-LURJTMIESA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]CC[C@@H]1CCCOC1 33414695 169194648 /nfs/dbraw/zinc/19/46/48/169194648.db2.gz XKNKOCGKABTGEP-ZETCQYMHSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO [NH3+]CC[C@@H]1CCOC1 41053026 169194762 /nfs/dbraw/zinc/19/47/62/169194762.db2.gz CNWVPUYTZPMEDA-ZCFIWIBFSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO [NH3+]CC[C@H]1CCCOC1 33414696 169194957 /nfs/dbraw/zinc/19/49/57/169194957.db2.gz XKNKOCGKABTGEP-SSDOTTSWSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO [NH3+]CC[C@H]1CCCCCC(=O)N1 2839264 169195133 /nfs/dbraw/zinc/19/51/33/169195133.db2.gz AKAQAMXURXDINT-MRVPVSSYSA-N 1 0 170.256 0.784 50 0 ACAARO [NH3+]CC[C@H]1CC1(F)F 95762153 169195209 /nfs/dbraw/zinc/19/52/09/169195209.db2.gz JFMDNCKAFKFJTR-BYPYZUCNSA-N 1 0 121.130 0.990 50 0 ACAARO [NH3+]CC[C@H]1CCCO1 6904665 169195398 /nfs/dbraw/zinc/19/53/98/169195398.db2.gz ZCOIVJPCZLPQPT-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO [NH3+]CC[C@H]1CCCCC(=O)N1 200576 169195591 /nfs/dbraw/zinc/19/55/91/169195591.db2.gz RUQXXUQEDUYQJZ-SSDOTTSWSA-N 1 0 156.229 0.394 50 0 ACAARO [NH3+]CC[C@H]1CCO1 76570031 169195719 /nfs/dbraw/zinc/19/57/19/169195719.db2.gz UFNYTHZFYPQOIX-YFKPBYRVSA-N 1 0 101.149 0.124 50 0 ACAARO [NH3+]CC[C@H](O)c1ccoc1 83557763 169195724 /nfs/dbraw/zinc/19/57/24/169195724.db2.gz OARTUIJAOPOUKN-ZETCQYMHSA-N 1 0 141.170 0.662 50 0 ACAARO [NH3+]CC[C@H](O)c1ccco1 19674832 169195838 /nfs/dbraw/zinc/19/58/38/169195838.db2.gz FTQWHMJXTUBPPJ-LURJTMIESA-N 1 0 141.170 0.662 50 0 ACAARO [NH3+]CC[C@H]1CCCCO1 14628956 169195902 /nfs/dbraw/zinc/19/59/02/169195902.db2.gz XHMSRGDEBWJLBE-SSDOTTSWSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO [NH3+]CC[C@H]1CCOC1 41053027 169195913 /nfs/dbraw/zinc/19/59/13/169195913.db2.gz CNWVPUYTZPMEDA-LURJTMIESA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO [NH3+]CC[C@]1(O)C(=O)Nc2ccccc21 71372470 169196153 /nfs/dbraw/zinc/19/61/53/169196153.db2.gz HNUPUAJMDGUSKM-SNVBAGLBSA-N 1 0 192.218 0.175 50 0 in-vitro ACAARO [NH3+]CCc1c[nH]nc1C(F)(F)F 44372964 169196534 /nfs/dbraw/zinc/19/65/34/169196534.db2.gz IPZKOONQYJGHSW-UHFFFAOYSA-N 1 0 179.145 0.930 50 0 in-vitro ACAARO [NH3+]CCc1c(F)cncc1F 20445904 169197005 /nfs/dbraw/zinc/19/70/05/169197005.db2.gz HPMXIPJTLNTQDC-UHFFFAOYSA-N 1 0 158.151 0.861 50 0 ACAARO [NH3+]CCc1c[nH]c(-c2ccccn2)n1 71500171 169197247 /nfs/dbraw/zinc/19/72/47/169197247.db2.gz KFIOEZNXWWZFOI-UHFFFAOYSA-N 1 0 188.234 0.973 50 0 ACAARO [NH3+]CCc1ccc2c(c1)OCCO2 3886826 169197545 /nfs/dbraw/zinc/19/75/45/169197545.db2.gz MJSYUXKKXKFWNX-UHFFFAOYSA-N 1 0 179.219 0.959 50 0 in-vitro ACAARO [NH3+]CCc1cccc(O)c1 406211 169197565 /nfs/dbraw/zinc/19/75/65/169197565.db2.gz GHFGJTVYMNRGBY-UHFFFAOYSA-N 1 0 137.182 0.893 50 0 endogenous,in-man ACAARO Nc1cccc(CC[NH3+])c1 2547903 169197581 /nfs/dbraw/zinc/19/75/81/169197581.db2.gz LJQFYBCLMVVNAQ-UHFFFAOYSA-N 1 0 136.198 0.770 50 0 in-vitro ACAARO [NH3+]CCc1ccc(O)cc1 2233 169197602 /nfs/dbraw/zinc/19/76/02/169197602.db2.gz DZGWFCGJZKJUFP-UHFFFAOYSA-N 1 0 137.182 0.893 50 0 endogenous,world ACAARO [NH3+]CCc1ccc(CO)cc1 40448676 169197619 /nfs/dbraw/zinc/19/76/19/169197619.db2.gz MRJUPJKYBZVMCR-UHFFFAOYSA-N 1 0 151.209 0.680 50 0 in-vitro ACAARO [NH3+]CCc1cccc2c1OCCO2 20263315 169197635 /nfs/dbraw/zinc/19/76/35/169197635.db2.gz NQAKBMINJHHNDM-UHFFFAOYSA-N 1 0 179.219 0.959 50 0 ACAARO [NH3+]CCc1ccc(O)cc1O 3107563 169197668 /nfs/dbraw/zinc/19/76/68/169197668.db2.gz URFGSZVXJZMYHZ-UHFFFAOYSA-N 1 0 153.181 0.599 50 0 in-vitro ACAARO [NH3+]CCc1ccc(F)cn1 20445911 169197714 /nfs/dbraw/zinc/19/77/14/169197714.db2.gz GETNTXOORZGBIM-UHFFFAOYSA-N 1 0 140.161 0.722 50 0 in-vitro ACAARO NC(=O)c1cccc(CC[NH3+])c1 32629437 169197737 /nfs/dbraw/zinc/19/77/37/169197737.db2.gz VZPSNHWLRRNYHA-UHFFFAOYSA-N 1 0 164.208 0.287 50 0 in-vitro ACAARO [NH3+]CCc1ccc2c(c1)OCO2 259006 169197777 /nfs/dbraw/zinc/19/77/77/169197777.db2.gz RRIRDPSOCUCGBV-UHFFFAOYSA-N 1 0 165.192 0.917 50 0 biogenic,in-vitro ACAARO [NH3+]CCc1cccc2c1OCO2 34505497 169197867 /nfs/dbraw/zinc/19/78/67/169197867.db2.gz WGQBCGOHTNBZHW-UHFFFAOYSA-N 1 0 165.192 0.917 50 0 ACAARO [NH3+]CCc1ccccn1 164395 169197871 /nfs/dbraw/zinc/19/78/71/169197871.db2.gz XPQIPUZPSLAZDV-UHFFFAOYSA-N 1 0 122.171 0.583 50 0 investigational ACAARO Nc1cccc(CC[NH3+])n1 15082971 169197917 /nfs/dbraw/zinc/19/79/17/169197917.db2.gz GQWRLOZPYJYOHV-UHFFFAOYSA-N 1 0 137.186 0.165 50 0 ACAARO [NH3+]CCc1ccc(O)cn1 83267537 169197952 /nfs/dbraw/zinc/19/79/52/169197952.db2.gz DSHAJGOGTKYNAG-UHFFFAOYSA-N 1 0 138.170 0.288 50 0 ACAARO [NH3+]CCc1ccccc1CO 39308858 169197974 /nfs/dbraw/zinc/19/79/74/169197974.db2.gz HWVRPCNYXPYWGJ-UHFFFAOYSA-N 1 0 151.209 0.680 50 0 ACAARO [NH3+]CCc1ccc(O)c(CO)c1 1733346 169197980 /nfs/dbraw/zinc/19/79/80/169197980.db2.gz BKLPFXUDXVJWNO-UHFFFAOYSA-N 1 0 167.208 0.386 50 0 ACAARO [NH3+]CCc1cccnc1 403368 169197983 /nfs/dbraw/zinc/19/79/83/169197983.db2.gz NAHHNSMHYCLMON-UHFFFAOYSA-N 1 0 122.171 0.583 50 0 in-vitro ACAARO [NH3+]CCc1ccco1 873698 169197984 /nfs/dbraw/zinc/19/79/84/169197984.db2.gz ZQSLNSHMUQXSQJ-UHFFFAOYSA-N 1 0 111.144 0.781 50 0 in-vitro ACAARO Nc1ccccc1CC[NH3+] 2547910 169197986 /nfs/dbraw/zinc/19/79/86/169197986.db2.gz OEWYVHJLQDINFS-UHFFFAOYSA-N 1 0 136.198 0.770 50 0 in-vitro ACAARO [NH3+]CCc1ccc(-n2cnnc2)cc1 51601113 169198000 /nfs/dbraw/zinc/19/80/00/169198000.db2.gz RFVLUEHMLQTRRC-UHFFFAOYSA-N 1 0 188.234 0.769 50 0 ACAARO [NH3+]CCc1ccc(OCCO)cc1 19966562 169198002 /nfs/dbraw/zinc/19/80/02/169198002.db2.gz QBPQHSPIVXPXKQ-UHFFFAOYSA-N 1 0 181.235 0.559 50 0 in-vitro ACAARO NC(=O)COc1ccc(CC[NH3+])cc1 20285758 169198035 /nfs/dbraw/zinc/19/80/35/169198035.db2.gz WMRVGTYDXAQDRJ-UHFFFAOYSA-N 1 0 194.234 0.052 50 0 in-vitro ACAARO [NH3+]CCc1ccc[nH]1 39647756 169198042 /nfs/dbraw/zinc/19/80/42/169198042.db2.gz IAZZNTYMXXEHHT-UHFFFAOYSA-N 1 0 110.160 0.516 50 0 in-vitro ACAARO [NH3+]CCc1cccc(CO)c1 39090886 169198077 /nfs/dbraw/zinc/19/80/77/169198077.db2.gz BBBQNAXNSQHGLQ-UHFFFAOYSA-N 1 0 151.209 0.680 50 0 ACAARO Nc1ccc(CC[NH3+])cn1 75845471 169198116 /nfs/dbraw/zinc/19/81/16/169198116.db2.gz MHEGULMSPWWCAN-UHFFFAOYSA-N 1 0 137.186 0.165 50 0 ACAARO [NH3+]CCc1ccc2c(n1)NCCC2 2527503 169198123 /nfs/dbraw/zinc/19/81/23/169198123.db2.gz DWOAHJYIJRYPTG-UHFFFAOYSA-N 1 0 177.251 0.941 50 0 ACAARO [NH3+]CCc1ccccc1O 1852611 169198203 /nfs/dbraw/zinc/19/82/03/169198203.db2.gz FMEVAQARAVDUNY-UHFFFAOYSA-N 1 0 137.182 0.893 50 0 in-vitro ACAARO Nc1ccc(CC[NH3+])cc1N 36197492 169198336 /nfs/dbraw/zinc/19/83/36/169198336.db2.gz MXDYHKQCLAPZLW-UHFFFAOYSA-N 1 0 151.213 0.352 50 0 ACAARO [NH3+]CCc1nnc(C2CC2)[nH]1 41058766 169198553 /nfs/dbraw/zinc/19/85/53/169198553.db2.gz DLVUEWDMHXYYAO-UHFFFAOYSA-N 1 0 152.201 0.183 50 0 ACAARO [NH3+]CCc1cncs1 20438887 169198751 /nfs/dbraw/zinc/19/87/51/169198751.db2.gz VKMXHCGSFOBPGQ-UHFFFAOYSA-N 1 0 128.200 0.644 50 0 in-vitro ACAARO [NH3+]CCc1ccon1 20417451 169198769 /nfs/dbraw/zinc/19/87/69/169198769.db2.gz GJHDTCHKZVZFHR-UHFFFAOYSA-N 1 0 112.132 0.176 50 0 in-vitro ACAARO [NH3+]CCc1csc2ncnn12 6645688 169198810 /nfs/dbraw/zinc/19/88/10/169198810.db2.gz VICHPQURIHVJJF-UHFFFAOYSA-N 1 0 168.225 0.292 50 0 ACAARO [NH3+]CCc1cscn1 3650900 169198835 /nfs/dbraw/zinc/19/88/35/169198835.db2.gz VNRWRBJKPUBFDY-UHFFFAOYSA-N 1 0 128.200 0.644 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2cccnc2)no1 19089681 169198837 /nfs/dbraw/zinc/19/88/37/169198837.db2.gz ZSIMAHFYFVMXDZ-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 in-vitro ACAARO [NH3+]CCc1cnoc1 20417449 169198932 /nfs/dbraw/zinc/19/89/32/169198932.db2.gz RQHDCARIPQMUKF-UHFFFAOYSA-N 1 0 112.132 0.176 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ncccn2)no1 36814771 169198966 /nfs/dbraw/zinc/19/89/66/169198966.db2.gz BSFJRIDHRKHNAX-UHFFFAOYSA-N 1 0 191.194 0.028 50 0 ACAARO [NH3+]CCc1nc(-c2cccnc2)n[nH]1 6322424 169198973 /nfs/dbraw/zinc/19/89/73/169198973.db2.gz HXOFQVNSADVDNC-UHFFFAOYSA-N 1 0 189.222 0.368 50 0 in-vitro ACAARO [NH3+]CCc1cn2cc(F)ccc2n1 36243577 169199008 /nfs/dbraw/zinc/19/90/08/169199008.db2.gz WWBSRRZUWDXHPI-UHFFFAOYSA-N 1 0 179.198 0.975 50 0 ACAARO [NH3+]CCc1cn2cccnc2n1 11569905 169199043 /nfs/dbraw/zinc/19/90/43/169199043.db2.gz AQDOETBQHPTIFT-UHFFFAOYSA-N 1 0 162.196 0.231 50 0 ACAARO [NH3+]CCc1cn2ccccc2n1 5175392 169199062 /nfs/dbraw/zinc/19/90/62/169199062.db2.gz CSIVCTHRYRVJCI-UHFFFAOYSA-N 1 0 161.208 0.836 50 0 biogenic,in-vitro ACAARO [NH3+]CCc1ccno1 20417447 169199092 /nfs/dbraw/zinc/19/90/92/169199092.db2.gz QERJFBGPSMQXGL-UHFFFAOYSA-N 1 0 112.132 0.176 50 0 ACAARO [NH3+]CCc1nc(C(F)(F)F)no1 74302877 169199096 /nfs/dbraw/zinc/19/90/96/169199096.db2.gz FDQLQPFHPYLRNB-UHFFFAOYSA-N 1 0 181.117 0.590 50 0 ACAARO [NH3+]CCc1cncc(O)c1 170687942 169199132 /nfs/dbraw/zinc/19/91/32/169199132.db2.gz KNBOSXBKAWGPLE-UHFFFAOYSA-N 1 0 138.170 0.288 50 0 ACAARO [NH3+]CCc1nc(-c2ccccn2)no1 19089678 169199213 /nfs/dbraw/zinc/19/92/13/169199213.db2.gz ADSGQVPBHDUDMR-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 ACAARO Nc1ncc(CC[NH3+])s1 13726807 169199219 /nfs/dbraw/zinc/19/92/19/169199219.db2.gz LZHGBLUAJMICBZ-UHFFFAOYSA-N 1 0 143.215 0.227 50 0 in-vitro ACAARO [NH3+]CCc1cn2ncccc2n1 71477337 169199249 /nfs/dbraw/zinc/19/92/49/169199249.db2.gz PXBWFDVTWOXVJY-UHFFFAOYSA-N 1 0 162.196 0.231 50 0 ACAARO [NH3+]CCc1cn2c(n1)CCCC2 20281914 169199290 /nfs/dbraw/zinc/19/92/90/169199290.db2.gz MYXOWMNBLNAPGN-UHFFFAOYSA-N 1 0 165.240 0.721 50 0 in-vitro ACAARO [NH3+]CCc1cn2c(n1)CCC2 82408015 169199302 /nfs/dbraw/zinc/19/93/02/169199302.db2.gz SOIOWWLBWYUHLC-UHFFFAOYSA-N 1 0 151.213 0.331 50 0 in-vitro ACAARO [NH3+]CCc1[nH]nc2c1CCCC2 19088348 169199310 /nfs/dbraw/zinc/19/93/10/169199310.db2.gz LGBZUOMTQQXJOK-UHFFFAOYSA-N 1 0 165.240 0.790 50 0 ACAARO [NH3+]CCc1cnn(-c2ccccc2)n1 32628370 169199326 /nfs/dbraw/zinc/19/93/26/169199326.db2.gz ZCFJOOLNRHWRKZ-UHFFFAOYSA-N 1 0 188.234 0.769 50 0 ACAARO Nc1nc(CC[NH3+])cs1 13726815 169199347 /nfs/dbraw/zinc/19/93/47/169199347.db2.gz AWGAMNRCCCIYLX-UHFFFAOYSA-N 1 0 143.215 0.227 50 0 in-vitro ACAARO [NH3+]CCc1cnc2n1CCCC2 96862376 169199354 /nfs/dbraw/zinc/19/93/54/169199354.db2.gz UFNKYWRTPYMWEP-UHFFFAOYSA-N 1 0 165.240 0.721 50 0 ACAARO [NH3+]CCc1cnc(C2CC2)nc1 54857389 169199360 /nfs/dbraw/zinc/19/93/60/169199360.db2.gz UXIICOJHCSNIEL-UHFFFAOYSA-N 1 0 163.224 0.855 50 0 in-vitro ACAARO [NH3+]CCc1ccns1 20445851 169199365 /nfs/dbraw/zinc/19/93/65/169199365.db2.gz TWCRHWLIAMJXMN-UHFFFAOYSA-N 1 0 128.200 0.644 50 0 ACAARO [NH3+]CCc1nc(C2CC2)no1 21046220 169199369 /nfs/dbraw/zinc/19/93/69/169199369.db2.gz VOEMFJWEONPRDK-UHFFFAOYSA-N 1 0 153.185 0.448 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ccco2)n[nH]1 57218755 169199391 /nfs/dbraw/zinc/19/93/91/169199391.db2.gz UVJHXOKZBHPQJQ-UHFFFAOYSA-N 1 0 178.195 0.566 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ccncc2)n[nH]1 4384579 169199393 /nfs/dbraw/zinc/19/93/93/169199393.db2.gz OWEZDZAQFHXJCL-UHFFFAOYSA-N 1 0 189.222 0.368 50 0 ACAARO [NH3+]CCc1ccncc1 215300 169199421 /nfs/dbraw/zinc/19/94/21/169199421.db2.gz IDLHTECVNDEOIY-UHFFFAOYSA-N 1 0 122.171 0.583 50 0 ACAARO [NH3+]CCc1nc(-c2cnccn2)no1 34928973 169199448 /nfs/dbraw/zinc/19/94/48/169199448.db2.gz GKRIQURKSZBFPP-UHFFFAOYSA-N 1 0 191.194 0.028 50 0 ACAARO [NH3+]CCc1cn2ccsc2n1 11567001 169199468 /nfs/dbraw/zinc/19/94/68/169199468.db2.gz LXVWZBGJWWXEDB-UHFFFAOYSA-N 1 0 167.237 0.897 50 0 in-vitro ACAARO [NH3+]CCc1nnc(C2CCOCC2)[nH]1 77296023 169199505 /nfs/dbraw/zinc/19/95/05/169199505.db2.gz OJXCVOMTBMQRIT-UHFFFAOYSA-N 1 0 196.254 0.200 50 0 ACAARO [NH3+]CCc1cn2c(n1)SCC2 3883057 169199509 /nfs/dbraw/zinc/19/95/09/169199509.db2.gz HEUAPDKVMDTFEX-UHFFFAOYSA-N 1 0 169.253 0.490 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ccncc2)no1 20216370 169199513 /nfs/dbraw/zinc/19/95/13/169199513.db2.gz OEFNLDMRTAUREG-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 in-vitro ACAARO [NH3+]CCc1ccoc1 34727738 169199515 /nfs/dbraw/zinc/19/95/15/169199515.db2.gz HQFMZQJGVKVYHK-UHFFFAOYSA-N 1 0 111.144 0.781 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ccccc2)n[nH]1 262700 169199536 /nfs/dbraw/zinc/19/95/36/169199536.db2.gz FJGWIYGKBUMGKA-UHFFFAOYSA-N 1 0 188.234 0.973 50 0 in-vitro ACAARO [NH3+]CCc1nc(-c2ccco2)no1 8729358 169199571 /nfs/dbraw/zinc/19/95/71/169199571.db2.gz WSIULEPBIKVKPX-UHFFFAOYSA-N 1 0 179.179 0.831 50 0 ACAARO [NH3+]CCc1nnc(-c2ccccn2)[nH]1 61844073 169199573 /nfs/dbraw/zinc/19/95/73/169199573.db2.gz KTEDQXSXKJRUJS-UHFFFAOYSA-N 1 0 189.222 0.368 50 0 ACAARO [NH3+]CCc1nnc(-c2ccncc2)o1 11585749 169199801 /nfs/dbraw/zinc/19/98/01/169199801.db2.gz KFBJSTPDXNTYIJ-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 ACAARO [NH3+]CCc1[nH]cnc1Br 32199362 169199820 /nfs/dbraw/zinc/19/98/20/169199820.db2.gz IDMAMVSNTMUBNI-UHFFFAOYSA-N 1 0 190.044 0.673 50 0 ACAARO [NH3+]CCc1nncn1C1CC1 17998138 169199876 /nfs/dbraw/zinc/19/98/76/169199876.db2.gz MSQSNZKVWZTSDJ-UHFFFAOYSA-N 1 0 152.201 0.114 50 0 in-vitro ACAARO [NH3+]CCc1noc([C@@H]2CCCO2)n1 41062015 169199891 /nfs/dbraw/zinc/19/98/91/169199891.db2.gz QAYQAJUXIVKOJD-LURJTMIESA-N 1 0 183.211 0.422 50 0 in-vitro ACAARO [NH3+]CCc1noc(C2CC2)n1 19682101 169199984 /nfs/dbraw/zinc/19/99/84/169199984.db2.gz VOAVOYSXTGRPQE-UHFFFAOYSA-N 1 0 153.185 0.448 50 0 in-vitro ACAARO [NH3+]CCn1c(=O)oc2ccccc21 19266539 169199993 /nfs/dbraw/zinc/19/99/93/169199993.db2.gz YCVFPUDKJACOAJ-UHFFFAOYSA-N 1 0 178.191 0.553 50 0 in-vitro ACAARO [NH3+]CCc1nccn1CC(F)(F)F 52304121 169200090 /nfs/dbraw/zinc/20/00/90/169200090.db2.gz ZPHQWFBNXCXWHK-UHFFFAOYSA-N 1 0 193.172 0.947 50 0 in-vitro ACAARO [NH3+]CCc1nnnn1-c1ccccc1 62494203 169200158 /nfs/dbraw/zinc/20/01/58/169200158.db2.gz GVVYZCUZGMLYPR-UHFFFAOYSA-N 1 0 189.222 0.164 50 0 in-vitro ACAARO [NH3+]CCc1nc2cccnc2[nH]1 19752664 169200194 /nfs/dbraw/zinc/20/01/94/169200194.db2.gz MLYGWROVAJJJPL-UHFFFAOYSA-N 1 0 162.196 0.459 50 0 ACAARO [NH3+]CCc1noc(-c2ccccn2)n1 19682107 169200208 /nfs/dbraw/zinc/20/02/08/169200208.db2.gz WKDDVFHRDWGBLC-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 in-vitro ACAARO [NH3+]CCc1noc([C@H]2CCCO2)n1 41062014 169200273 /nfs/dbraw/zinc/20/02/73/169200273.db2.gz QAYQAJUXIVKOJD-ZCFIWIBFSA-N 1 0 183.211 0.422 50 0 in-vitro ACAARO [NH3+]CCc1nc([C@H]2CCCO2)n[nH]1 72236564 169200291 /nfs/dbraw/zinc/20/02/91/169200291.db2.gz UMAZRWGYIGEYHK-ZCFIWIBFSA-N 1 0 182.227 0.157 50 0 ACAARO [NH3+]CCc1nnc2ccccn12 4206680 169200326 /nfs/dbraw/zinc/20/03/26/169200326.db2.gz FKNUBXUNMZSEDM-UHFFFAOYSA-N 1 0 162.196 0.231 50 0 in-vitro ACAARO [NH3+]CCc1nccn1C(F)F 57218439 169200405 /nfs/dbraw/zinc/20/04/05/169200405.db2.gz FFZUAUFDTRLDDW-UHFFFAOYSA-N 1 0 161.155 0.779 50 0 in-vitro ACAARO [NH3+]CCc1ncco1 20417441 169200468 /nfs/dbraw/zinc/20/04/68/169200468.db2.gz YENDQEKGPZVDJN-UHFFFAOYSA-N 1 0 112.132 0.176 50 0 ACAARO [NH3+]CCc1nc([C@@H]2CCCO2)n[nH]1 72236565 169200496 /nfs/dbraw/zinc/20/04/96/169200496.db2.gz UMAZRWGYIGEYHK-LURJTMIESA-N 1 0 182.227 0.157 50 0 ACAARO [NH3+]CCc1nccc(C(F)(F)F)n1 62701795 169200503 /nfs/dbraw/zinc/20/05/03/169200503.db2.gz AVXQMFRWVFPVPO-UHFFFAOYSA-N 1 0 191.156 0.997 50 0 ACAARO [NH3+]CCc1nnc(C2CC2)o1 11585731 169200517 /nfs/dbraw/zinc/20/05/17/169200517.db2.gz CHGSNCDVRFYJND-UHFFFAOYSA-N 1 0 153.185 0.448 50 0 ACAARO [NH3+]CCc1noc(C2CCC2)n1 41062039 169200577 /nfs/dbraw/zinc/20/05/77/169200577.db2.gz SCQGJGMBRAEEBU-UHFFFAOYSA-N 1 0 167.212 0.838 50 0 ACAARO [NH3+]CCc1ncc2c(n1)CCC2 82522632 169200606 /nfs/dbraw/zinc/20/06/06/169200606.db2.gz FPRJIWIDCYPQNF-UHFFFAOYSA-N 1 0 163.224 0.467 50 0 ACAARO [NH3+]CCc1ncc(F)cc1F 44372828 169200684 /nfs/dbraw/zinc/20/06/84/169200684.db2.gz YFXXFKYNDIMZQT-UHFFFAOYSA-N 1 0 158.151 0.861 50 0 ACAARO [NH3+]CCc1nnc(-c2cccnc2)o1 11585746 169200693 /nfs/dbraw/zinc/20/06/93/169200693.db2.gz ZRWGYOOCIXFUPN-UHFFFAOYSA-N 1 0 190.206 0.633 50 0 ACAARO [NH3+]CCc1nc2ccccc2c(=O)[nH]1 19088960 169200707 /nfs/dbraw/zinc/20/07/07/169200707.db2.gz CDRQKHVKJNPNRY-UHFFFAOYSA-N 1 0 189.218 0.424 50 0 in-vitro ACAARO [NH3+]CCc1noc(C(F)(F)F)n1 71372354 169200725 /nfs/dbraw/zinc/20/07/25/169200725.db2.gz BZYISIFGPPISQN-UHFFFAOYSA-N 1 0 181.117 0.590 50 0 in-vitro ACAARO [NH3+]CCc1nc2c(s1)COCC2 36306283 169200767 /nfs/dbraw/zinc/20/07/67/169200767.db2.gz RNHDUNRCXYJWED-UHFFFAOYSA-N 1 0 184.264 0.717 50 0 ACAARO [NH3+]CCc1nccc(C2CC2)n1 70951706 169200798 /nfs/dbraw/zinc/20/07/98/169200798.db2.gz YPNHKOSKKKEJDX-UHFFFAOYSA-N 1 0 163.224 0.855 50 0 ACAARO [NH3+]CCc1nnc2n1CCCC2 57354428 169200816 /nfs/dbraw/zinc/20/08/16/169200816.db2.gz AAVVZAZZXUMURZ-UHFFFAOYSA-N 1 0 166.228 0.116 50 0 in-vitro ACAARO [NH3+]CCC1N=NC(=S)N1C1CC1 58037999 169200869 /nfs/dbraw/zinc/20/08/69/169200869.db2.gz ZHPZGCDJYDDXNU-UHFFFAOYSA-N 1 0 184.268 0.403 50 0 in-vitro ACAARO [NH3+]CCc1nnc2n1CCCCC2 20439272 169200870 /nfs/dbraw/zinc/20/08/70/169200870.db2.gz DDBDAGJRFYTMCK-UHFFFAOYSA-N 1 0 180.255 0.506 50 0 in-vitro ACAARO [NH3+]CCc1nc2c([nH]1)CCCC2 49804843 169200901 /nfs/dbraw/zinc/20/09/01/169200901.db2.gz HPJUTPSEERFSIL-UHFFFAOYSA-N 1 0 165.240 0.790 50 0 ACAARO [NH3+]CCc1nc2c(O)cccc2[nH]1 100027141 169200922 /nfs/dbraw/zinc/20/09/22/169200922.db2.gz FHDGDZMBOVXTAD-UHFFFAOYSA-N 1 0 177.207 0.770 50 0 ACAARO [NH3+]CCc1nccs1 11886332 169200924 /nfs/dbraw/zinc/20/09/24/169200924.db2.gz TWZOYAWHWDRMEZ-UHFFFAOYSA-N 1 0 128.200 0.644 50 0 in-vitro ACAARO [NH3+]CCn1c(=O)[nH]c2ccccc21 20397515 169200952 /nfs/dbraw/zinc/20/09/52/169200952.db2.gz QRXBDDXQNITPII-UHFFFAOYSA-N 1 0 177.207 0.288 50 0 in-vitro ACAARO [NH3+]CCc1nncs1 2019754 169201001 /nfs/dbraw/zinc/20/10/01/169201001.db2.gz QXIKYRCHORWLLW-UHFFFAOYSA-N 1 0 129.188 0.039 50 0 in-vitro ACAARO [NH3+]CCN1C(=S)N=NC1C1CC1 68576213 169201175 /nfs/dbraw/zinc/20/11/75/169201175.db2.gz PUKTXTGLXSFHLJ-UHFFFAOYSA-N 1 0 184.268 0.403 50 0 in-vitro ACAARO [NH3+]CCn1cnc2cccnc21 82655496 169201217 /nfs/dbraw/zinc/20/12/17/169201217.db2.gz QAFNDQVCCXUQAE-UHFFFAOYSA-N 1 0 162.196 0.390 50 0 ACAARO [NH3+]CCn1cc(-c2ccccc2)nn1 82010216 169201255 /nfs/dbraw/zinc/20/12/55/169201255.db2.gz 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/nfs/dbraw/zinc/20/16/12/169201612.db2.gz SRXNPHFNGMIZQU-UHFFFAOYSA-N 1 0 189.218 0.355 50 0 in-vitro ACAARO [NH3+]CCn1ccnc1C1CC1 18001619 169201625 /nfs/dbraw/zinc/20/16/25/169201625.db2.gz YDIROQOZBKXIMD-UHFFFAOYSA-N 1 0 151.213 0.719 50 0 ACAARO [NH3+]CCn1nnc2ccccc21 15635434 169201656 /nfs/dbraw/zinc/20/16/56/169201656.db2.gz QDGNXLMOTQABAF-UHFFFAOYSA-N 1 0 162.196 0.390 50 0 ACAARO [NH3+]CCn1cc(Cl)cn1 2558413 169201733 /nfs/dbraw/zinc/20/17/33/169201733.db2.gz HYMUJSKLHIXUOM-UHFFFAOYSA-N 1 0 145.593 0.495 50 0 in-vitro ACAARO [NH3+]CCn1cnc2ccccc21 11920175 169201779 /nfs/dbraw/zinc/20/17/79/169201779.db2.gz LXZGUUDIJIOTJB-UHFFFAOYSA-N 1 0 161.208 0.995 50 0 in-vitro ACAARO [NH3+]CCn1cnnc1C1CC1 18001625 169201796 /nfs/dbraw/zinc/20/17/96/169201796.db2.gz JUYYERAJUGNAKT-UHFFFAOYSA-N 1 0 152.201 0.114 50 0 in-vitro ACAARO [NH3+]CCn1cnc2sccc2c1=O 19475662 169201812 /nfs/dbraw/zinc/20/18/12/169201812.db2.gz RMFGOKHODWOEEE-UHFFFAOYSA-N 1 0 195.247 0.417 50 0 ACAARO [NH3+]CCn1cccc1 2571286 169201884 /nfs/dbraw/zinc/20/18/84/169201884.db2.gz HPDIRFBJYSOVKW-UHFFFAOYSA-N 1 0 110.160 0.447 50 0 in-vitro ACAARO [NH3+]CCn1ccc2cccnc21 82405039 169201933 /nfs/dbraw/zinc/20/19/33/169201933.db2.gz APMLPUDURDVGTF-UHFFFAOYSA-N 1 0 161.208 0.995 50 0 ACAARO [NH3+]CCn1ccn2nccc12 137680208 169202060 /nfs/dbraw/zinc/20/20/60/169202060.db2.gz FFTJVMIOXYPMLY-UHFFFAOYSA-N 1 0 150.185 0.095 50 0 ACAARO [NH3+]CCn1c(CO)nc2ccccc21 72323969 169202069 /nfs/dbraw/zinc/20/20/69/169202069.db2.gz IUBCGGKCTDBVLB-UHFFFAOYSA-N 1 0 191.234 0.487 50 0 ACAARO [NH3+]CCn1ccc(Br)n1 72339551 169202077 /nfs/dbraw/zinc/20/20/77/169202077.db2.gz XUVWJPUPXBHSEW-UHFFFAOYSA-N 1 0 190.044 0.604 50 0 ACAARO [NH3+]CCn1ccc(C2CC2)n1 4298929 169202129 /nfs/dbraw/zinc/20/21/29/169202129.db2.gz RKGOWTMHXCPCJL-UHFFFAOYSA-N 1 0 151.213 0.719 50 0 ACAARO [NH3+]CCn1ccnc1-c1ccccn1 82530126 169202231 /nfs/dbraw/zinc/20/22/31/169202231.db2.gz JTTXRWHPIGJPGF-UHFFFAOYSA-N 1 0 188.234 0.904 50 0 ACAARO [NH3+]CCn1cnc(C(F)(F)F)c1 328578061 169202252 /nfs/dbraw/zinc/20/22/52/169202252.db2.gz SDIATFBPIXELJT-UHFFFAOYSA-N 1 0 179.145 0.861 50 0 ACAARO [NH3+]CCn1nnc2c1CCCC2 82632977 169202254 /nfs/dbraw/zinc/20/22/54/169202254.db2.gz QXWLVSWMZXJRTC-UHFFFAOYSA-N 1 0 166.228 0.116 50 0 ACAARO [NH3+]CCn1cnc2ccccc2c1=O 1595627 169202262 /nfs/dbraw/zinc/20/22/62/169202262.db2.gz SCDNBWPDMOXOEZ-UHFFFAOYSA-N 1 0 189.218 0.355 50 0 ACAARO [NH3+]CCn1cnc2ccsc2c1=O 37382794 169202270 /nfs/dbraw/zinc/20/22/70/169202270.db2.gz RLBQITSEZMWQPO-UHFFFAOYSA-N 1 0 195.247 0.417 50 0 ACAARO [NH3+]C[C@@H](O)C1CCC1 28220122 169202289 /nfs/dbraw/zinc/20/22/89/169202289.db2.gz HYTCCTDRNKQPGP-ZCFIWIBFSA-N 1 0 115.176 0.106 50 0 ACAARO N[C@H](C[NH3+])c1ccccc1 22113526 169202440 /nfs/dbraw/zinc/20/24/40/169202440.db2.gz CRVBQABBEKLFIN-MRVPVSSYSA-N 1 0 136.198 0.645 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1ccccc1F 11978416 169202586 /nfs/dbraw/zinc/20/25/86/169202586.db2.gz JGFUBQCVBJWPBR-QMMMGPOBSA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)c1ccccc1 26899086 169202610 /nfs/dbraw/zinc/20/26/10/169202610.db2.gz DIVZNCUPEGZSEI-VIFPVBQESA-N 1 0 151.209 0.721 50 0 ACAARO [NH3+]C[C@@H](F)C(F)(F)F 44248625 169202737 /nfs/dbraw/zinc/20/27/37/169202737.db2.gz JFZSMCOKEWTTBJ-UWTATZPHSA-N 1 0 131.072 0.846 50 0 ACAARO [NH3+]C[C@@H](CO)Cc1ccccn1 11633061 169202865 /nfs/dbraw/zinc/20/28/65/169202865.db2.gz SSSSWZSGKWVJQW-QMMMGPOBSA-N 1 0 166.224 0.191 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)CCc1ccccc1 34742689 169202867 /nfs/dbraw/zinc/20/28/67/169202867.db2.gz LUPIFLARJQGECT-JTQLQIEISA-N 1 0 165.236 0.939 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1cccs1 11978332 169203075 /nfs/dbraw/zinc/20/30/75/169203075.db2.gz CGPMMCUNQQDJFP-ZETCQYMHSA-N 1 0 171.265 0.858 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)CC1CC1 51690865 169203090 /nfs/dbraw/zinc/20/30/90/169203090.db2.gz IZKPVKQWPXRXDT-ZETCQYMHSA-N 1 0 129.203 0.354 50 0 ACAARO [NH3+]C[C@@H](CO)c1ccc(F)cc1 66325595 169203093 /nfs/dbraw/zinc/20/30/93/169203093.db2.gz GCXZDTJUOWYBTG-QMMMGPOBSA-N 1 0 169.199 0.860 50 0 ACAARO NC[C@@H]([NH3+])C1CCC1 82707479 169203099 /nfs/dbraw/zinc/20/30/99/169203099.db2.gz SVDZLAYWEAZOOK-ZCFIWIBFSA-N 1 0 114.192 0.073 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)CC(F)(F)F 26896260 169203131 /nfs/dbraw/zinc/20/31/31/169203131.db2.gz KZNGMHZLGGFBIH-VKHMYHEASA-N 1 0 143.108 0.258 50 0 ACAARO [NH3+]C[C@@H](CO)c1cccnc1 31540264 169203279 /nfs/dbraw/zinc/20/32/79/169203279.db2.gz AECOXKVRWBFZRU-QMMMGPOBSA-N 1 0 152.197 0.116 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1ccco1 11978321 169203401 /nfs/dbraw/zinc/20/34/01/169203401.db2.gz YJBJHOJKHDSICH-ZETCQYMHSA-N 1 0 155.197 0.389 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1cccc(F)c1 19282598 169203417 /nfs/dbraw/zinc/20/34/17/169203417.db2.gz JDUOXVFIDWABFQ-VIFPVBQESA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO NC[C@@H]([NH3+])C1CCCCC1 35677023 169203423 /nfs/dbraw/zinc/20/34/23/169203423.db2.gz ZGITYUSQHMGSRF-MRVPVSSYSA-N 1 0 142.246 0.853 50 0 in-vitro ACAARO N[C@H](C[NH3+])c1c(F)cccc1F 35677064 169203461 /nfs/dbraw/zinc/20/34/61/169203461.db2.gz UXHWVPQAZDPIPR-SSDOTTSWSA-N 1 0 172.178 0.923 50 0 ACAARO NC(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1 20579985 169203494 /nfs/dbraw/zinc/20/34/94/169203494.db2.gz AOVNHZKZKPEZEX-MRVPVSSYSA-N 1 0 196.225 0.428 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)C1CCCC1 28221463 169203500 /nfs/dbraw/zinc/20/35/00/169203500.db2.gz CKKJQSVPBUAERO-SSDOTTSWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1ccncc1 11633065 169203569 /nfs/dbraw/zinc/20/35/69/169203569.db2.gz KXCFZIVKJRDVEX-VIFPVBQESA-N 1 0 166.224 0.191 50 0 ACAARO [NH3+]C[C@@H](CO)Cc1ccccc1 11978371 169203597 /nfs/dbraw/zinc/20/35/97/169203597.db2.gz UZMQSDJABBJHCS-JTQLQIEISA-N 1 0 165.236 0.796 50 0 ACAARO [NH3+]C[C@@H](CO)CC1CCOCC1 52175627 169203605 /nfs/dbraw/zinc/20/36/05/169203605.db2.gz NCSSBBDDRXAFRC-VIFPVBQESA-N 1 0 173.256 0.370 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1ccc(F)cc1 11978425 169203630 /nfs/dbraw/zinc/20/36/30/169203630.db2.gz RXQAPJZAIOPHSX-VIFPVBQESA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO N[C@H](C[NH3+])c1ccc2c(c1)OCCO2 35676928 169203712 /nfs/dbraw/zinc/20/37/12/169203712.db2.gz OEFHGMCGKZAGBL-MRVPVSSYSA-N 1 0 194.234 0.416 50 0 ACAARO N[C@H](C[NH3+])c1ccc(CO)cc1 44469192 169203745 /nfs/dbraw/zinc/20/37/45/169203745.db2.gz XBNFSQAHYVLQPX-SECBINFHSA-N 1 0 166.224 0.137 50 0 ACAARO [NH3+]C[C@@H](CO)NCc1ccccc1 71606342 169203840 /nfs/dbraw/zinc/20/38/40/169203840.db2.gz OFWZWVVLWDIRJQ-JTQLQIEISA-N 1 0 180.251 0.096 50 0 ACAARO N[C@H](C[NH3+])Cc1ccccc1 33882281 169203878 /nfs/dbraw/zinc/20/38/78/169203878.db2.gz CXFFQOZYXJHZNJ-VIFPVBQESA-N 1 0 150.225 0.515 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)C1CCCCC1 28221719 169203982 /nfs/dbraw/zinc/20/39/82/169203982.db2.gz MSIAFRBGOYFCND-MRVPVSSYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1ccsc1 12505533 169203991 /nfs/dbraw/zinc/20/39/91/169203991.db2.gz BCZRSSJFDOEFIF-QMMMGPOBSA-N 1 0 171.265 0.858 50 0 in-vitro ACAARO [NH3+]C[C@@H](N1CCOCC1)C(F)(F)F 34759562 169204032 /nfs/dbraw/zinc/20/40/32/169204032.db2.gz GGAVBXTWKBKIFE-ZCFIWIBFSA-N 1 0 198.188 0.208 50 0 in-vitro ACAARO NC[C@@H]([NH3+])C1CCCC1 44471946 169204048 /nfs/dbraw/zinc/20/40/48/169204048.db2.gz XTMAWRIDJLIMJT-SSDOTTSWSA-N 1 0 128.219 0.463 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)Cc1cccnc1 11633063 169204072 /nfs/dbraw/zinc/20/40/72/169204072.db2.gz JTSKASLHYOPXMP-VIFPVBQESA-N 1 0 166.224 0.191 50 0 ACAARO [NH3+]C[C@@H](O)c1ccc2c(c1)CCO2 37415427 169204272 /nfs/dbraw/zinc/20/42/72/169204272.db2.gz WYYIHCZPZVOGMY-SECBINFHSA-N 1 0 179.219 0.614 50 0 ACAARO [NH3+]C[C@@H](O)COc1ccc(F)cc1 22176646 169204285 /nfs/dbraw/zinc/20/42/85/169204285.db2.gz LKRGICBCCHGVLQ-MRVPVSSYSA-N 1 0 185.198 0.524 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1cccc(F)c1 2010921 169204289 /nfs/dbraw/zinc/20/42/89/169204289.db2.gz KLIPUNKCUPNMHM-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1ccccc1 403283 169204534 /nfs/dbraw/zinc/20/45/34/169204534.db2.gz ULSIYEODSMZIPX-MRVPVSSYSA-N 1 0 137.182 0.679 50 0 endogenous,in-man ACAARO [NH3+]C[C@@H](O)c1ccc(F)cc1F 13858461 169204587 /nfs/dbraw/zinc/20/45/87/169204587.db2.gz VRMHGFAPUWXIIT-MRVPVSSYSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)COCc1ccco1 249239 169204765 /nfs/dbraw/zinc/20/47/65/169204765.db2.gz QRELYEUKSFYFRQ-SSDOTTSWSA-N 1 0 171.196 0.116 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1cccc(O)c1 119283 169204792 /nfs/dbraw/zinc/20/47/92/169204792.db2.gz LRCXRAABFLIVAI-MRVPVSSYSA-N 1 0 153.181 0.384 50 0 in-man ACAARO [NH3+]C[C@@H](O)c1ccncc1 2513177 169204873 /nfs/dbraw/zinc/20/48/73/169204873.db2.gz XYIUAYKSHAYZDY-SSDOTTSWSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)Cn1cnc2ccccc21 6677933 169204885 /nfs/dbraw/zinc/20/48/85/169204885.db2.gz AOSFMYBATFLTAQ-MRVPVSSYSA-N 1 0 191.234 0.356 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1ccc(O)cc1 558 169204897 /nfs/dbraw/zinc/20/48/97/169204897.db2.gz QHGUCRYDKWKLMG-MRVPVSSYSA-N 1 0 153.181 0.384 50 0 endogenous,world ACAARO [NH3+]C[C@@H](O)c1ccc2c(c1)OCCO2 4601727 169204927 /nfs/dbraw/zinc/20/49/27/169204927.db2.gz PNXFUGHWZSOHMC-MRVPVSSYSA-N 1 0 195.218 0.450 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)COCc1ccccc1 792390 169204952 /nfs/dbraw/zinc/20/49/52/169204952.db2.gz ZGHLNQMMKJNJIH-SNVBAGLBSA-N 1 0 181.235 0.523 50 0 ACAARO [NH3+]C[C@@H](O)c1ccc(F)c(F)c1 20283823 169204985 /nfs/dbraw/zinc/20/49/85/169204985.db2.gz CXJWXUGRWAXKAF-MRVPVSSYSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)Cc1ccc(F)cc1F 71499962 169205035 /nfs/dbraw/zinc/20/50/35/169205035.db2.gz SVFBKCGGWJHCNR-QMMMGPOBSA-N 1 0 187.189 0.827 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)COc1ccccc1 8466271 169205049 /nfs/dbraw/zinc/20/50/49/169205049.db2.gz JZEHWMUIAKALDN-MRVPVSSYSA-N 1 0 167.208 0.385 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)COc1cccc(F)c1 22171835 169205168 /nfs/dbraw/zinc/20/51/68/169205168.db2.gz SHDIMYNSDVLUKM-MRVPVSSYSA-N 1 0 185.198 0.524 50 0 ACAARO [NH3+]C[C@@H](O)COC1CCCCC1 873986 169205171 /nfs/dbraw/zinc/20/51/71/169205171.db2.gz JEFHQYWOLXLTAO-MRVPVSSYSA-N 1 0 173.256 0.655 50 0 ACAARO [NH3+]C[C@@H](O)c1ccc2c(c1)OCO2 1593016 169205209 /nfs/dbraw/zinc/20/52/09/169205209.db2.gz NFDJYUZZSPJWLV-SSDOTTSWSA-N 1 0 181.191 0.407 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)Cc1cccc(F)c1 71496403 169205308 /nfs/dbraw/zinc/20/53/08/169205308.db2.gz BSPMEQOQLKUKRP-VIFPVBQESA-N 1 0 169.199 0.688 50 0 ACAARO [NH3+]C[C@@H](O)c1ccc(F)cc1 2040652 169205324 /nfs/dbraw/zinc/20/53/24/169205324.db2.gz LPKXWVNNGWDLMT-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1ccsc1 21949494 169205341 /nfs/dbraw/zinc/20/53/41/169205341.db2.gz RKUNYEOWLVWVAX-ZCFIWIBFSA-N 1 0 143.211 0.740 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)Cc1ccccc1 15020850 169205358 /nfs/dbraw/zinc/20/53/58/169205358.db2.gz JIIXMZQZEAAIJX-VIFPVBQESA-N 1 0 151.209 0.549 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1ccccc1F 8699497 169205512 /nfs/dbraw/zinc/20/55/12/169205512.db2.gz MFGOFGRYDNHJTA-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@@H](O)c1cccnc1 4245373 169205581 /nfs/dbraw/zinc/20/55/81/169205581.db2.gz BTKNUYMZBBWHIM-SSDOTTSWSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC12CCS(=O)(=O)CC2 54587903 169205969 /nfs/dbraw/zinc/20/59/69/169205969.db2.gz PEWYBZKIPNBYLD-ZETCQYMHSA-N 1 0 189.280 0.160 50 0 ACAARO [NH3+]C[C@@H]1CCC=CO1 2036281 169205993 /nfs/dbraw/zinc/20/59/93/169205993.db2.gz VNMHHVDXXHZGDU-LURJTMIESA-N 1 0 113.160 0.638 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCCN1C1CC1 84426859 169206022 /nfs/dbraw/zinc/20/60/22/169206022.db2.gz FXXHCJDYRWLBBA-VIFPVBQESA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+]C[C@@H](c1ccccc1)c1nnc[nH]1 61609613 169206053 /nfs/dbraw/zinc/20/60/53/169206053.db2.gz ZXISAWXDZAGXHF-VIFPVBQESA-N 1 0 188.234 0.895 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC(=O)N(C2CCCC2)C1 12343482 169206054 /nfs/dbraw/zinc/20/60/54/169206054.db2.gz ZOLCWNZDFIUXHL-QMMMGPOBSA-N 1 0 182.267 0.736 50 0 ACAARO NC[C@@H]1CC2CC[NH+]1CC2 39277360 169206152 /nfs/dbraw/zinc/20/61/52/169206152.db2.gz XVCFWFMLNSQUKQ-QMMMGPOBSA-N 1 0 140.230 0.429 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC(C(F)(F)F)=NO1 236217309 169206157 /nfs/dbraw/zinc/20/61/57/169206157.db2.gz DVFDZVXCPBWKHI-VKHMYHEASA-N 1 0 168.118 0.652 50 0 ACAARO [NH3+]C[C@@H]1CC(Cl)=NO1 34239424 169206160 /nfs/dbraw/zinc/20/61/60/169206160.db2.gz SKWXPLMKYIMUQE-VKHMYHEASA-N 1 0 134.566 0.286 50 0 ACAARO NC[C@@H]1CCCC[NH2+]1 38232977 169206227 /nfs/dbraw/zinc/20/62/27/169206227.db2.gz RHPBLLCTOLJFPH-LURJTMIESA-N 1 0 114.192 0.087 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC(=O)N(c2ccccc2)C1 6096778 169206262 /nfs/dbraw/zinc/20/62/62/169206262.db2.gz LVPVQEFVVFAEKA-VIFPVBQESA-N 1 0 190.246 0.998 50 0 in-vitro ACAARO [NH3+]C[C@@H]1C=CCC1 39377343 169206504 /nfs/dbraw/zinc/20/65/04/169206504.db2.gz KJYZLUGEZJSNTP-ZCFIWIBFSA-N 1 0 97.161 0.911 50 0 ACAARO [NH3+]C[C@@H]1CCCC1=O 44249583 169206607 /nfs/dbraw/zinc/20/66/07/169206607.db2.gz AFLIGFFKSOPBNA-YFKPBYRVSA-N 1 0 113.160 0.314 50 0 in-vitro ACAARO [NH3+]C[C@@H](n1cccn1)C(F)(F)F 37169731 169206615 /nfs/dbraw/zinc/20/66/15/169206615.db2.gz LOJZGVKHBJWXMS-RXMQYKEDSA-N 1 0 179.145 0.945 50 0 ACAARO [NH3+]C[C@@H]1CC12CCOCC2 54587781 169206706 /nfs/dbraw/zinc/20/67/06/169206706.db2.gz AZHAYPBYLOQJFW-ZETCQYMHSA-N 1 0 141.214 0.762 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC1(F)F 68577143 169206736 /nfs/dbraw/zinc/20/67/36/169206736.db2.gz ISMZEPBEQCSYFX-VKHMYHEASA-N 1 0 107.103 0.600 50 0 ACAARO NC[C@@H]1CCCCC[NH2+]1 39206952 169206753 /nfs/dbraw/zinc/20/67/53/169206753.db2.gz QCSYMWLANYRIAC-ZETCQYMHSA-N 1 0 128.219 0.477 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC1(F)F 95743486 169206813 /nfs/dbraw/zinc/20/68/13/169206813.db2.gz MLCCHSZUZDDCAR-BYPYZUCNSA-N 1 0 121.130 0.990 50 0 ACAARO [NH3+]C[C@@H]1CCCCO1 2044239 169206837 /nfs/dbraw/zinc/20/68/37/169206837.db2.gz NYGCBQKDTGBHSC-LURJTMIESA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCC[C@@H]1O 2516847 169206882 /nfs/dbraw/zinc/20/68/82/169206882.db2.gz JGKFBZBVCAWDFD-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@@H]1C(=O)Nc2ccc(F)cc21 15635691 169206941 /nfs/dbraw/zinc/20/69/41/169206941.db2.gz ALAQFQSRSWVPPR-ZETCQYMHSA-N 1 0 180.182 0.820 50 0 in-vitro ACAARO [NH3+]C[C@@H](c1ccco1)N1CCOCC1 19702317 169206979 /nfs/dbraw/zinc/20/69/79/169206979.db2.gz NRMDJRDSDKGPFH-VIFPVBQESA-N 1 0 196.250 0.612 50 0 in-vitro ACAARO [NH3+]C[C@@H]1C(=O)Nc2ccccc21 100039713 169207087 /nfs/dbraw/zinc/20/70/87/169207087.db2.gz RPCWYJTZFRGQFH-ZETCQYMHSA-N 1 0 162.192 0.681 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC(=O)c2ccccc2O1 138431440 169207191 /nfs/dbraw/zinc/20/71/91/169207191.db2.gz UTIGGFSFSWUDIR-ZETCQYMHSA-N 1 0 177.203 0.979 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC2(C1)OCCO2 82846082 169207219 /nfs/dbraw/zinc/20/72/19/169207219.db2.gz WXYAYVWLCURXPF-SSDOTTSWSA-N 1 0 157.213 0.488 50 0 ACAARO [NH3+]C[C@@H]1CCC[C@@H](O)C1 70038095 169207528 /nfs/dbraw/zinc/20/75/28/169207528.db2.gz WFTIZANRIDXCBN-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@@H]1CCCN1CC(F)(F)F 19843288 169207743 /nfs/dbraw/zinc/20/77/43/169207743.db2.gz FEEKNVYEXIAVGN-LURJTMIESA-N 1 0 182.189 0.972 50 0 ACAARO [NH3+]C[C@@H]1CCCOC1 6657996 169207744 /nfs/dbraw/zinc/20/77/44/169207744.db2.gz ZTCHEOLGUZDPAN-LURJTMIESA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCN1CC(F)F 37756101 169207758 /nfs/dbraw/zinc/20/77/58/169207758.db2.gz PVHIMJVJXKEYIA-LURJTMIESA-N 1 0 164.199 0.675 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCN(CC(F)F)C1 50247356 169207778 /nfs/dbraw/zinc/20/77/78/169207778.db2.gz FRBSXPYDDLBWAN-LURJTMIESA-N 1 0 164.199 0.532 50 0 ACAARO [NH3+]C[C@@H]1CCN(CC(F)(F)F)C1 19479707 169207812 /nfs/dbraw/zinc/20/78/12/169207812.db2.gz AWLXCAAXHNSOHI-LURJTMIESA-N 1 0 182.189 0.829 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC[C@@H]1N1CCOCC1 37156981 169207832 /nfs/dbraw/zinc/20/78/32/169207832.db2.gz DDIJIFBJNGYVQA-UWVGGRQHSA-N 1 0 184.283 0.446 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCn2ccnc21 83232685 169207854 /nfs/dbraw/zinc/20/78/54/169207854.db2.gz HUQMVCUMAXSLJG-ZETCQYMHSA-N 1 0 151.213 0.719 50 0 in-vitro ACAARO NC[C@@H]1CCC[N@@H+]1CC1CC1 39781751 169208073 /nfs/dbraw/zinc/20/80/73/169208073.db2.gz QFIYFROFRTUSPW-VIFPVBQESA-N 1 0 154.257 0.820 50 0 ACAARO [NH3+]C[C@@H]1CCC[C@@H]1O 32182286 169208215 /nfs/dbraw/zinc/20/82/15/169208215.db2.gz VORALDSQPSWPRK-WDSKDSINSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC[C@H]1O 32182290 169208229 /nfs/dbraw/zinc/20/82/29/169208229.db2.gz VORALDSQPSWPRK-NTSWFWBYSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCO1 151682 169208260 /nfs/dbraw/zinc/20/82/60/169208260.db2.gz YNOGYQAEJGADFJ-YFKPBYRVSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCN(C(=O)C2CC2)C1 12343446 169208280 /nfs/dbraw/zinc/20/82/80/169208280.db2.gz HABOPQWLLMHQMP-QMMMGPOBSA-N 1 0 182.267 0.594 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC[C@H]1N1CCOCC1 37156977 169208367 /nfs/dbraw/zinc/20/83/67/169208367.db2.gz DDIJIFBJNGYVQA-VHSXEESVSA-N 1 0 184.283 0.446 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCC[C@H](O)C1 70038098 169208410 /nfs/dbraw/zinc/20/84/10/169208410.db2.gz WFTIZANRIDXCBN-RQJHMYQMSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@@H]1CCCC[C@H]1O 4262062 169208424 /nfs/dbraw/zinc/20/84/24/169208424.db2.gz JGKFBZBVCAWDFD-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCN1c1cccnn1 53663462 169208504 /nfs/dbraw/zinc/20/85/04/169208504.db2.gz QBYSLLHNRZLIEH-QMMMGPOBSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCS1 34614721 169208621 /nfs/dbraw/zinc/20/86/21/169208621.db2.gz FLHFMMKGHUKQHI-YFKPBYRVSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCCN(Cc2ncon2)C1 44531261 169208675 /nfs/dbraw/zinc/20/86/75/169208675.db2.gz VQPQJZWAAHBUGR-QMMMGPOBSA-N 1 0 196.254 0.240 50 0 ACAARO [NH3+]C[C@@H]1CCCOCC1 82411112 169208726 /nfs/dbraw/zinc/20/87/26/169208726.db2.gz RCQSKZVJELDYPC-SSDOTTSWSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO [NH3+]C[C@@H]1COC2(CCCC2)O1 20264028 169209345 /nfs/dbraw/zinc/20/93/45/169209345.db2.gz ZOLMPZZVRYBREN-SSDOTTSWSA-N 1 0 157.213 0.631 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC[C@@H](O)CC1 104587411 169209488 /nfs/dbraw/zinc/20/94/88/169209488.db2.gz AODBGHUVYYWBRL-LJGSYFOKSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@@H]1CCc2nc[nH]c2C1 82407964 169209496 /nfs/dbraw/zinc/20/94/96/169209496.db2.gz RHZOREWZVFCKGB-ZCFIWIBFSA-N 1 0 151.213 0.473 50 0 ACAARO [NH3+]C[C@@H]1COc2ccccc2N1 5011309 169209508 /nfs/dbraw/zinc/20/95/08/169209508.db2.gz UOBUMUKUDJXGKK-SSDOTTSWSA-N 1 0 164.208 0.818 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCS1 96034427 169209509 /nfs/dbraw/zinc/20/95/09/169209509.db2.gz CJILFEQOCDJDGI-BYPYZUCNSA-N 1 0 103.190 0.451 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CN2CCCC[C@@H]2CO1 32006577 169209566 /nfs/dbraw/zinc/20/95/66/169209566.db2.gz HGHFOXXRWZPFQQ-RKDXNWHRSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+]C[C@H]1CC[C@H](O)CC1 104645638 169209573 /nfs/dbraw/zinc/20/95/73/169209573.db2.gz AODBGHUVYYWBRL-KNVOCYPGSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@@H]1CNc2ccccc2O1 20357703 169209593 /nfs/dbraw/zinc/20/95/93/169209593.db2.gz IGINVTLDGILHIM-SSDOTTSWSA-N 1 0 164.208 0.818 50 0 ACAARO [NH3+]C[C@@H]1CN2CCCC[C@H]2CO1 36092209 169209601 /nfs/dbraw/zinc/20/96/01/169209601.db2.gz HGHFOXXRWZPFQQ-DTWKUNHWSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+]C[C@@H]1CS(=O)(=O)c2ccccc21 35688504 169209605 /nfs/dbraw/zinc/20/96/05/169209605.db2.gz MYQGSPPNUJYZPP-SSDOTTSWSA-N 1 0 197.259 0.516 50 0 ACAARO [NH3+]C[C@@H]1CCc2nccn2C1 98095702 169209733 /nfs/dbraw/zinc/20/97/33/169209733.db2.gz IVWNDDHEYWZOHD-ZETCQYMHSA-N 1 0 151.213 0.404 50 0 ACAARO [NH3+]C[C@@H]1CCSC1 69981726 169209755 /nfs/dbraw/zinc/20/97/55/169209755.db2.gz ROOXHLQUGCFQSM-YFKPBYRVSA-N 1 0 117.217 0.698 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC[C@@H](O)C1 34235201 169209811 /nfs/dbraw/zinc/20/98/11/169209811.db2.gz NUBNZASXRSXFRW-PHDIDXHHSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCO[C@]2(CCOC2)C1 82400485 169209829 /nfs/dbraw/zinc/20/98/29/169209829.db2.gz OEPHHDAELFALMF-RKDXNWHRSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@@H]1COc2ccccc2O1 3684479 169209837 /nfs/dbraw/zinc/20/98/37/169209837.db2.gz JHNURUNMNRSGRO-SSDOTTSWSA-N 1 0 165.192 0.785 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCn2ccnc2C1 84302897 169209939 /nfs/dbraw/zinc/20/99/39/169209939.db2.gz UJGPGNOWRZXMEW-SSDOTTSWSA-N 1 0 151.213 0.404 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CSCCS1 44249441 169209982 /nfs/dbraw/zinc/20/99/82/169209982.db2.gz HZTQIHOZXLWKKI-RXMQYKEDSA-N 1 0 149.284 0.794 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CN(c2ccccc2)C(=O)O1 11920027 169210081 /nfs/dbraw/zinc/21/00/81/169210081.db2.gz QQJDFBSOHQQLGC-SECBINFHSA-N 1 0 192.218 0.971 50 0 ACAARO [NH3+]C[C@@H]1CC[C@H](O)C1 34235199 169210160 /nfs/dbraw/zinc/21/01/60/169210160.db2.gz NUBNZASXRSXFRW-RITPCOANSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CCO[C@@]2(CCOC2)C1 82400484 169210258 /nfs/dbraw/zinc/21/02/58/169210258.db2.gz OEPHHDAELFALMF-BDAKNGLRSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@@H]1C[C@H]1C1CC1 54587169 169210455 /nfs/dbraw/zinc/21/04/55/169210455.db2.gz BYYWMKYHSJUWJR-BQBZGAKWSA-N 1 0 111.188 0.991 50 0 ACAARO [NH3+]C[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 68575818 169210544 /nfs/dbraw/zinc/21/05/44/169210544.db2.gz XIGLLLYLIZSLNU-IUCAKERBSA-N 1 0 154.257 0.820 50 0 in-vitro ACAARO [NH3+]C[C@H]1C[C@@H](F)C1 103536547 169210598 /nfs/dbraw/zinc/21/05/98/169210598.db2.gz NEDGZUPNRVBWQP-URHBZAFASA-N 1 0 103.140 0.693 50 0 ACAARO [NH3+]C[C@@H]1C[C@@H]2CC[C@H]1O2 67792732 169210616 /nfs/dbraw/zinc/21/06/16/169210616.db2.gz HOGOLKHCHFSFKN-LYFYHCNISA-N 1 0 127.187 0.513 50 0 ACAARO [NH3+]C[C@@H]1Cc2ccccc2O1 4200653 169210745 /nfs/dbraw/zinc/21/07/45/169210745.db2.gz ASPSZCAHOMXPBE-QMMMGPOBSA-N 1 0 149.193 0.949 50 0 in-vitro ACAARO [NH3+]C[C@@H]1Cc2ccccc2NC1=O 11982164 169210765 /nfs/dbraw/zinc/21/07/65/169210765.db2.gz OOBQTKJLWXKQHA-QMMMGPOBSA-N 1 0 176.219 0.756 50 0 in-vitro ACAARO [NH3+]C[C@@H]1NCCc2sccc21 90394300 169210784 /nfs/dbraw/zinc/21/07/84/169210784.db2.gz HKXJRTHHSITXHE-ZETCQYMHSA-N 1 0 168.265 0.894 50 0 ACAARO [NH3+]C[C@@H]1Cc2ccccc2CN1 21984747 169210788 /nfs/dbraw/zinc/21/07/88/169210788.db2.gz QQDYNQIMTRERLH-JTQLQIEISA-N 1 0 162.236 0.660 50 0 ACAARO [NH3+]C[C@@H]1NCCc2ccccc21 19798135 169210836 /nfs/dbraw/zinc/21/08/36/169210836.db2.gz WZZJAYPARCLIPG-JTQLQIEISA-N 1 0 162.236 0.832 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1ccccn1 11633062 169211006 /nfs/dbraw/zinc/21/10/06/169211006.db2.gz SSSSWZSGKWVJQW-MRVPVSSYSA-N 1 0 166.224 0.191 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)c1ccccc1 26899090 169211009 /nfs/dbraw/zinc/21/10/09/169211009.db2.gz DIVZNCUPEGZSEI-SECBINFHSA-N 1 0 151.209 0.721 50 0 ACAARO [NH3+]C[C@H](CO)NCc1ccccc1 71606344 169211035 /nfs/dbraw/zinc/21/10/35/169211035.db2.gz OFWZWVVLWDIRJQ-SNVBAGLBSA-N 1 0 180.251 0.096 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1cccc(F)c1 19282600 169211091 /nfs/dbraw/zinc/21/10/91/169211091.db2.gz JDUOXVFIDWABFQ-SECBINFHSA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1ccsc1 12505534 169211184 /nfs/dbraw/zinc/21/11/84/169211184.db2.gz BCZRSSJFDOEFIF-MRVPVSSYSA-N 1 0 171.265 0.858 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)CC1CC1 51690866 169211273 /nfs/dbraw/zinc/21/12/73/169211273.db2.gz IZKPVKQWPXRXDT-SSDOTTSWSA-N 1 0 129.203 0.354 50 0 ACAARO [NH3+]C[C@@]1(O)CCOc2ccccc21 20398358 169211344 /nfs/dbraw/zinc/21/13/44/169211344.db2.gz LJIMCZDPGHYLKP-JTQLQIEISA-N 1 0 179.219 0.615 50 0 ACAARO [NH3+]C[C@@]1(O)CCc2ccccc21 19727337 169211354 /nfs/dbraw/zinc/21/13/54/169211354.db2.gz STXJWRAZXHJWQO-JTQLQIEISA-N 1 0 163.220 0.779 50 0 in-vitro ACAARO [NH3+]C[C@@]1(O)CCc2cc(F)ccc21 107413011 169211356 /nfs/dbraw/zinc/21/13/56/169211356.db2.gz XDGGHCFIHUIYGR-JTQLQIEISA-N 1 0 181.210 0.918 50 0 ACAARO [NH3+]C[C@H](CO)c1ccc(F)cc1 66325594 169211426 /nfs/dbraw/zinc/21/14/26/169211426.db2.gz GCXZDTJUOWYBTG-MRVPVSSYSA-N 1 0 169.199 0.860 50 0 ACAARO NC[C@H]([NH3+])C1CCCC1 44471949 169211464 /nfs/dbraw/zinc/21/14/64/169211464.db2.gz XTMAWRIDJLIMJT-ZETCQYMHSA-N 1 0 128.219 0.463 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1ccco1 11978326 169211571 /nfs/dbraw/zinc/21/15/71/169211571.db2.gz YJBJHOJKHDSICH-SSDOTTSWSA-N 1 0 155.197 0.389 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)CC1CCOCC1 52175628 169211606 /nfs/dbraw/zinc/21/16/06/169211606.db2.gz NCSSBBDDRXAFRC-SECBINFHSA-N 1 0 173.256 0.370 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1ccccc1F 11978419 169211621 /nfs/dbraw/zinc/21/16/21/169211621.db2.gz JGFUBQCVBJWPBR-MRVPVSSYSA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO NC[C@H]([NH3+])C1CCC1 82707480 169211646 /nfs/dbraw/zinc/21/16/46/169211646.db2.gz SVDZLAYWEAZOOK-LURJTMIESA-N 1 0 114.192 0.073 50 0 in-vitro ACAARO [NH3+]C[C@@]1(O)C=CCCC1 36447767 169211704 /nfs/dbraw/zinc/21/17/04/169211704.db2.gz WRAMDELWEFMLRG-SSDOTTSWSA-N 1 0 127.187 0.416 50 0 ACAARO NC(=O)[C@H](C[NH3+])Cc1ccc(F)cc1 20579988 169211707 /nfs/dbraw/zinc/21/17/07/169211707.db2.gz AOVNHZKZKPEZEX-QMMMGPOBSA-N 1 0 196.225 0.428 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1ccccc1 11978376 169211717 /nfs/dbraw/zinc/21/17/17/169211717.db2.gz UZMQSDJABBJHCS-SNVBAGLBSA-N 1 0 165.236 0.796 50 0 ACAARO [NH3+]C[C@H](CO)Cc1ccc(F)cc1 11978430 169211793 /nfs/dbraw/zinc/21/17/93/169211793.db2.gz RXQAPJZAIOPHSX-SECBINFHSA-N 1 0 183.226 0.935 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)Cc1cccs1 11978338 169211829 /nfs/dbraw/zinc/21/18/29/169211829.db2.gz CGPMMCUNQQDJFP-SSDOTTSWSA-N 1 0 171.265 0.858 50 0 in-vitro ACAARO [NH3+]C[C@@]1(O)CCCSC1 83268043 169211967 /nfs/dbraw/zinc/21/19/67/169211967.db2.gz OIGYWBHEURHRPF-LURJTMIESA-N 1 0 147.243 0.203 50 0 ACAARO [NH3+]C[C@@]1(O)CCc2ccccc2C1 37460403 169211981 /nfs/dbraw/zinc/21/19/81/169211981.db2.gz LUNDWBGKMFHRAO-LLVKDONJSA-N 1 0 177.247 0.865 50 0 ACAARO [NH3+]C[C@H](CO)Cc1ccncc1 11633066 169212062 /nfs/dbraw/zinc/21/20/62/169212062.db2.gz KXCFZIVKJRDVEX-SECBINFHSA-N 1 0 166.224 0.191 50 0 ACAARO N[C@@H](C[NH3+])Cc1ccccc1 19366098 169212102 /nfs/dbraw/zinc/21/21/02/169212102.db2.gz CXFFQOZYXJHZNJ-SECBINFHSA-N 1 0 150.225 0.515 50 0 in-vitro ACAARO [NH3+]C[C@H](F)C(F)(F)F 44248623 169212110 /nfs/dbraw/zinc/21/21/10/169212110.db2.gz JFZSMCOKEWTTBJ-REOHCLBHSA-N 1 0 131.072 0.846 50 0 ACAARO [NH3+]C[C@H](CO)Cc1cccnc1 11633064 169212126 /nfs/dbraw/zinc/21/21/26/169212126.db2.gz JTSKASLHYOPXMP-SECBINFHSA-N 1 0 166.224 0.191 50 0 ACAARO NC[C@H]([NH3+])C1CCCCC1 35677024 169212134 /nfs/dbraw/zinc/21/21/34/169212134.db2.gz ZGITYUSQHMGSRF-QMMMGPOBSA-N 1 0 142.246 0.853 50 0 in-vitro ACAARO [NH3+]C[C@H](CO)c1cccnc1 31540269 169212137 /nfs/dbraw/zinc/21/21/37/169212137.db2.gz AECOXKVRWBFZRU-MRVPVSSYSA-N 1 0 152.197 0.116 50 0 in-vitro ACAARO [NH3+]C[C@H](O)CC(F)(F)F 26896263 169212338 /nfs/dbraw/zinc/21/23/38/169212338.db2.gz KZNGMHZLGGFBIH-GSVOUGTGSA-N 1 0 143.108 0.258 50 0 ACAARO [NH3+]C[C@H](O)COc1ccccc1 8466322 169212357 /nfs/dbraw/zinc/21/23/57/169212357.db2.gz JZEHWMUIAKALDN-QMMMGPOBSA-N 1 0 167.208 0.385 50 0 in-vitro ACAARO [NH3+]C[C@H](N1CCOCC1)C(F)(F)F 34759559 169212408 /nfs/dbraw/zinc/21/24/08/169212408.db2.gz GGAVBXTWKBKIFE-LURJTMIESA-N 1 0 198.188 0.208 50 0 in-vitro ACAARO N[C@@H](C[NH3+])c1ccccc1 22113530 169212559 /nfs/dbraw/zinc/21/25/59/169212559.db2.gz CRVBQABBEKLFIN-QMMMGPOBSA-N 1 0 136.198 0.645 50 0 in-vitro ACAARO [NH3+]C[C@H](O)COC1CCCCC1 873987 169212579 /nfs/dbraw/zinc/21/25/79/169212579.db2.gz JEFHQYWOLXLTAO-QMMMGPOBSA-N 1 0 173.256 0.655 50 0 ACAARO [NH3+]C[C@H](O)COc1cccc(F)c1 22171838 169212645 /nfs/dbraw/zinc/21/26/45/169212645.db2.gz SHDIMYNSDVLUKM-QMMMGPOBSA-N 1 0 185.198 0.524 50 0 ACAARO [NH3+]C[C@H](O)Cc1ccc(F)cc1F 71499964 169212670 /nfs/dbraw/zinc/21/26/70/169212670.db2.gz SVFBKCGGWJHCNR-MRVPVSSYSA-N 1 0 187.189 0.827 50 0 in-vitro ACAARO N[C@@H](C[NH3+])c1ccc(CO)cc1 44469195 169212671 /nfs/dbraw/zinc/21/26/71/169212671.db2.gz XBNFSQAHYVLQPX-VIFPVBQESA-N 1 0 166.224 0.137 50 0 ACAARO [NH3+]C[C@H](O)COCc1ccco1 249243 169212755 /nfs/dbraw/zinc/21/27/55/169212755.db2.gz QRELYEUKSFYFRQ-ZETCQYMHSA-N 1 0 171.196 0.116 50 0 in-vitro ACAARO [NH3+]C[C@H](O)CCc1ccccc1 34742690 169212828 /nfs/dbraw/zinc/21/28/28/169212828.db2.gz LUPIFLARJQGECT-SNVBAGLBSA-N 1 0 165.236 0.939 50 0 in-vitro ACAARO N[C@@H](C[NH3+])c1c(F)cccc1F 35677065 169212833 /nfs/dbraw/zinc/21/28/33/169212833.db2.gz UXHWVPQAZDPIPR-ZETCQYMHSA-N 1 0 172.178 0.923 50 0 ACAARO [NH3+]C[C@H](O)Cc1cccc(F)c1 71496405 169212868 /nfs/dbraw/zinc/21/28/68/169212868.db2.gz BSPMEQOQLKUKRP-SECBINFHSA-N 1 0 169.199 0.688 50 0 ACAARO [NH3+]C[C@H](O)Cc1ccccc1 2529132 169213032 /nfs/dbraw/zinc/21/30/32/169213032.db2.gz JIIXMZQZEAAIJX-SECBINFHSA-N 1 0 151.209 0.549 50 0 in-vitro ACAARO N[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 35676929 169213050 /nfs/dbraw/zinc/21/30/50/169213050.db2.gz OEFHGMCGKZAGBL-QMMMGPOBSA-N 1 0 194.234 0.416 50 0 ACAARO [NH3+]C[C@H](O)C1CCCCC1 28221722 169213120 /nfs/dbraw/zinc/21/31/20/169213120.db2.gz MSIAFRBGOYFCND-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+]C[C@H](O)C1CCC1 28220126 169213123 /nfs/dbraw/zinc/21/31/23/169213123.db2.gz HYTCCTDRNKQPGP-LURJTMIESA-N 1 0 115.176 0.106 50 0 ACAARO [NH3+]C[C@H](O)C1CCCC1 28221468 169213237 /nfs/dbraw/zinc/21/32/37/169213237.db2.gz CKKJQSVPBUAERO-ZETCQYMHSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@H](O)COc1ccc(F)cc1 22176649 169213302 /nfs/dbraw/zinc/21/33/02/169213302.db2.gz LKRGICBCCHGVLQ-QMMMGPOBSA-N 1 0 185.198 0.524 50 0 in-vitro ACAARO [NH3+]C[C@H](O)COCc1ccccc1 792391 169213309 /nfs/dbraw/zinc/21/33/09/169213309.db2.gz ZGHLNQMMKJNJIH-JTQLQIEISA-N 1 0 181.235 0.523 50 0 ACAARO [NH3+]C[C@H](O)c1cccs1 1593001 169213566 /nfs/dbraw/zinc/21/35/66/169213566.db2.gz LOULKRKJFMPTJQ-YFKPBYRVSA-N 1 0 143.211 0.740 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccc2c(c1)OCCO2 4601729 169213637 /nfs/dbraw/zinc/21/36/37/169213637.db2.gz PNXFUGHWZSOHMC-QMMMGPOBSA-N 1 0 195.218 0.450 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1cncs1 39134490 169213702 /nfs/dbraw/zinc/21/37/02/169213702.db2.gz XEHFHMZPLZJUQB-BYPYZUCNSA-N 1 0 144.199 0.135 50 0 ACAARO [NH3+]C[C@H](O)c1ccccc1 403284 169213713 /nfs/dbraw/zinc/21/37/13/169213713.db2.gz ULSIYEODSMZIPX-QMMMGPOBSA-N 1 0 137.182 0.679 50 0 endogenous,in-man ACAARO [NH3+]C[C@H](O)c1ccc(F)cc1F 13858462 169213723 /nfs/dbraw/zinc/21/37/23/169213723.db2.gz VRMHGFAPUWXIIT-QMMMGPOBSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1c(F)cccc1F 13858482 169213779 /nfs/dbraw/zinc/21/37/79/169213779.db2.gz RRHQXTUNHJLDMM-ZETCQYMHSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccccc1F 2554002 169213856 /nfs/dbraw/zinc/21/38/56/169213856.db2.gz MFGOFGRYDNHJTA-QMMMGPOBSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccoc1 78676052 169213943 /nfs/dbraw/zinc/21/39/43/169213943.db2.gz AKMQTTJUDZQMDN-LURJTMIESA-N 1 0 127.143 0.272 50 0 ACAARO [NH3+]C[C@H](O)c1cccnc1 4245374 169213968 /nfs/dbraw/zinc/21/39/68/169213968.db2.gz BTKNUYMZBBWHIM-ZETCQYMHSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+]C[C@H](c1ccccc1)c1nnc[nH]1 61609612 169213999 /nfs/dbraw/zinc/21/39/99/169213999.db2.gz ZXISAWXDZAGXHF-SECBINFHSA-N 1 0 188.234 0.895 50 0 in-vitro ACAARO [NH3+]C[C@H](O)Cn1cnc2ccccc21 6677935 169214004 /nfs/dbraw/zinc/21/40/04/169214004.db2.gz AOSFMYBATFLTAQ-QMMMGPOBSA-N 1 0 191.234 0.356 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccc(F)c(F)c1 20283826 169214009 /nfs/dbraw/zinc/21/40/09/169214009.db2.gz CXJWXUGRWAXKAF-QMMMGPOBSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccc2c(c1)CCO2 37415429 169214023 /nfs/dbraw/zinc/21/40/23/169214023.db2.gz WYYIHCZPZVOGMY-VIFPVBQESA-N 1 0 179.219 0.614 50 0 ACAARO [NH3+]C[C@H](O)c1cccc(O)c1 119286 169214132 /nfs/dbraw/zinc/21/41/32/169214132.db2.gz LRCXRAABFLIVAI-QMMMGPOBSA-N 1 0 153.181 0.384 50 0 in-man ACAARO [NH3+]C[C@H](O)c1ccc(O)cc1 388198 169214225 /nfs/dbraw/zinc/21/42/25/169214225.db2.gz QHGUCRYDKWKLMG-QMMMGPOBSA-N 1 0 153.181 0.384 50 0 endogenous,world ACAARO [NH3+]C[C@H](O)c1ccccc1O 6095453 169214252 /nfs/dbraw/zinc/21/42/52/169214252.db2.gz NAMWREVXAKBGFY-QMMMGPOBSA-N 1 0 153.181 0.384 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccncc1 15020719 169214317 /nfs/dbraw/zinc/21/43/17/169214317.db2.gz XYIUAYKSHAYZDY-ZETCQYMHSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccccn1 15020715 169214336 /nfs/dbraw/zinc/21/43/36/169214336.db2.gz FLYWNSMGGSBXLK-ZETCQYMHSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccsc1 21949496 169214344 /nfs/dbraw/zinc/21/43/44/169214344.db2.gz RKUNYEOWLVWVAX-LURJTMIESA-N 1 0 143.211 0.740 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccco1 4240322 169214350 /nfs/dbraw/zinc/21/43/50/169214350.db2.gz JWQAFPHYLSGNSK-YFKPBYRVSA-N 1 0 127.143 0.272 50 0 ACAARO [NH3+]C[C@H](O)c1ccc2c(c1)OCO2 4240049 169214364 /nfs/dbraw/zinc/21/43/64/169214364.db2.gz NFDJYUZZSPJWLV-ZETCQYMHSA-N 1 0 181.191 0.407 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1cccc(F)c1 2010922 169214395 /nfs/dbraw/zinc/21/43/95/169214395.db2.gz KLIPUNKCUPNMHM-QMMMGPOBSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@H](O)c1ccc(F)cc1 2040653 169214429 /nfs/dbraw/zinc/21/44/29/169214429.db2.gz LPKXWVNNGWDLMT-QMMMGPOBSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+]C[C@H]1C(=O)Nc2ccc(F)cc21 100011130 169214603 /nfs/dbraw/zinc/21/46/03/169214603.db2.gz ALAQFQSRSWVPPR-SSDOTTSWSA-N 1 0 180.182 0.820 50 0 in-vitro ACAARO [NH3+]C[C@H]1C=CCC1 39377344 169214645 /nfs/dbraw/zinc/21/46/45/169214645.db2.gz KJYZLUGEZJSNTP-LURJTMIESA-N 1 0 97.161 0.911 50 0 ACAARO [NH3+]C[C@H]1CCCN1CC(F)F 37756100 169214663 /nfs/dbraw/zinc/21/46/63/169214663.db2.gz PVHIMJVJXKEYIA-ZCFIWIBFSA-N 1 0 164.199 0.675 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC(C(F)(F)F)=NO1 258438736 169214673 /nfs/dbraw/zinc/21/46/73/169214673.db2.gz DVFDZVXCPBWKHI-GSVOUGTGSA-N 1 0 168.118 0.652 50 0 ACAARO [NH3+]C[C@H]1CCCCO1 5133888 169214818 /nfs/dbraw/zinc/21/48/18/169214818.db2.gz NYGCBQKDTGBHSC-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO [NH3+]C[C@H]1C(=O)Nc2ccccc21 14808475 169214819 /nfs/dbraw/zinc/21/48/19/169214819.db2.gz RPCWYJTZFRGQFH-SSDOTTSWSA-N 1 0 162.192 0.681 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC12CCOCC2 54587780 169214835 /nfs/dbraw/zinc/21/48/35/169214835.db2.gz AZHAYPBYLOQJFW-SSDOTTSWSA-N 1 0 141.214 0.762 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCCN1C1CC1 84426860 169214843 /nfs/dbraw/zinc/21/48/43/169214843.db2.gz FXXHCJDYRWLBBA-SECBINFHSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC(=O)N(c2ccccc2)C1 6096782 169214889 /nfs/dbraw/zinc/21/48/89/169214889.db2.gz LVPVQEFVVFAEKA-SECBINFHSA-N 1 0 190.246 0.998 50 0 in-vitro ACAARO NC[C@H]1CCCC[NH2+]1 38232978 169214950 /nfs/dbraw/zinc/21/49/50/169214950.db2.gz RHPBLLCTOLJFPH-ZCFIWIBFSA-N 1 0 114.192 0.087 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC=CO1 1574313 169215019 /nfs/dbraw/zinc/21/50/19/169215019.db2.gz VNMHHVDXXHZGDU-ZCFIWIBFSA-N 1 0 113.160 0.638 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC(=O)N(C2CCCC2)C1 12343483 169215021 /nfs/dbraw/zinc/21/50/21/169215021.db2.gz ZOLCWNZDFIUXHL-MRVPVSSYSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+]C[C@H]1CCCN1CC(F)(F)F 19843289 169215071 /nfs/dbraw/zinc/21/50/71/169215071.db2.gz FEEKNVYEXIAVGN-ZCFIWIBFSA-N 1 0 182.189 0.972 50 0 ACAARO NC[C@H]1CC2CC[NH+]1CC2 39277358 169215090 /nfs/dbraw/zinc/21/50/90/169215090.db2.gz XVCFWFMLNSQUKQ-MRVPVSSYSA-N 1 0 140.230 0.429 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCC1=O 44249581 169215155 /nfs/dbraw/zinc/21/51/55/169215155.db2.gz AFLIGFFKSOPBNA-RXMQYKEDSA-N 1 0 113.160 0.314 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC(Cl)=NO1 34239423 169215167 /nfs/dbraw/zinc/21/51/67/169215167.db2.gz SKWXPLMKYIMUQE-GSVOUGTGSA-N 1 0 134.566 0.286 50 0 ACAARO [NH3+]C[C@H]1CCC1(F)F 95743487 169215192 /nfs/dbraw/zinc/21/51/92/169215192.db2.gz MLCCHSZUZDDCAR-SCSAIBSYSA-N 1 0 121.130 0.990 50 0 ACAARO [NH3+]C[C@H]1CCCC[C@@H]1O 2517003 169215216 /nfs/dbraw/zinc/21/52/16/169215216.db2.gz JGKFBZBVCAWDFD-RQJHMYQMSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCN(Cc2ncon2)C1 44531259 169215236 /nfs/dbraw/zinc/21/52/36/169215236.db2.gz VQPQJZWAAHBUGR-MRVPVSSYSA-N 1 0 196.254 0.240 50 0 ACAARO [NH3+]C[C@H]1CC(=O)c2ccccc2O1 138431323 169215275 /nfs/dbraw/zinc/21/52/75/169215275.db2.gz UTIGGFSFSWUDIR-SSDOTTSWSA-N 1 0 177.203 0.979 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC12CCS(=O)(=O)CC2 54587902 169215342 /nfs/dbraw/zinc/21/53/42/169215342.db2.gz PEWYBZKIPNBYLD-SSDOTTSWSA-N 1 0 189.280 0.160 50 0 ACAARO [NH3+]C[C@H](c1ccco1)N1CCOCC1 19702315 169215374 /nfs/dbraw/zinc/21/53/74/169215374.db2.gz NRMDJRDSDKGPFH-SECBINFHSA-N 1 0 196.250 0.612 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC2(C1)OCCO2 82846085 169215459 /nfs/dbraw/zinc/21/54/59/169215459.db2.gz WXYAYVWLCURXPF-ZETCQYMHSA-N 1 0 157.213 0.488 50 0 ACAARO [NH3+]C[C@H]1CCCC[C@H]1O 2511714 169215486 /nfs/dbraw/zinc/21/54/86/169215486.db2.gz JGKFBZBVCAWDFD-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC1(F)F 68577141 169215490 /nfs/dbraw/zinc/21/54/90/169215490.db2.gz ISMZEPBEQCSYFX-GSVOUGTGSA-N 1 0 107.103 0.600 50 0 ACAARO NC[C@H]1CCCCC[NH2+]1 39206951 169215501 /nfs/dbraw/zinc/21/55/01/169215501.db2.gz QCSYMWLANYRIAC-SSDOTTSWSA-N 1 0 128.219 0.477 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCN(C(=O)C2CC2)C1 12343445 169215520 /nfs/dbraw/zinc/21/55/20/169215520.db2.gz HABOPQWLLMHQMP-MRVPVSSYSA-N 1 0 182.267 0.594 50 0 in-vitro ACAARO NC[C@H]1CCC[N@@H+]1CC1CC1 39781750 169215525 /nfs/dbraw/zinc/21/55/25/169215525.db2.gz QFIYFROFRTUSPW-SECBINFHSA-N 1 0 154.257 0.820 50 0 ACAARO [NH3+]C[C@H](n1cccn1)C(F)(F)F 37169730 169215564 /nfs/dbraw/zinc/21/55/64/169215564.db2.gz LOJZGVKHBJWXMS-YFKPBYRVSA-N 1 0 179.145 0.945 50 0 ACAARO [NH3+]C[C@H]1CCCOCC1 82411111 169215699 /nfs/dbraw/zinc/21/56/99/169215699.db2.gz RCQSKZVJELDYPC-ZETCQYMHSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@H]1N1CCOCC1 37156975 169215772 /nfs/dbraw/zinc/21/57/72/169215772.db2.gz DDIJIFBJNGYVQA-NXEZZACHSA-N 1 0 184.283 0.446 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCn2ccnc21 83232689 169215795 /nfs/dbraw/zinc/21/57/95/169215795.db2.gz HUQMVCUMAXSLJG-SSDOTTSWSA-N 1 0 151.213 0.719 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCOC1 6657995 169215801 /nfs/dbraw/zinc/21/58/01/169215801.db2.gz ZTCHEOLGUZDPAN-ZCFIWIBFSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@@H]1N1CCOCC1 37156979 169215811 /nfs/dbraw/zinc/21/58/11/169215811.db2.gz DDIJIFBJNGYVQA-ZJUUUORDSA-N 1 0 184.283 0.446 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC[C@@H](O)C1 34235203 169215818 /nfs/dbraw/zinc/21/58/18/169215818.db2.gz NUBNZASXRSXFRW-NTSWFWBYSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@@H]1O 32182288 169215830 /nfs/dbraw/zinc/21/58/30/169215830.db2.gz VORALDSQPSWPRK-RITPCOANSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCN(CC(F)(F)F)C1 19479709 169215899 /nfs/dbraw/zinc/21/58/99/169215899.db2.gz AWLXCAAXHNSOHI-ZCFIWIBFSA-N 1 0 182.189 0.829 50 0 in-vitro ACAARO NC(=O)[C@H]1CC[C@@H](C[NH3+])CC1 238558180 169215937 /nfs/dbraw/zinc/21/59/37/169215937.db2.gz RSILLSRLAWUTAY-LJGSYFOKSA-N 1 0 156.229 0.237 50 0 ACAARO [NH3+]C[C@H]1CCO[C@@]2(CCOC2)C1 82400486 169215959 /nfs/dbraw/zinc/21/59/59/169215959.db2.gz OEPHHDAELFALMF-IUCAKERBSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCSC1 69981729 169215991 /nfs/dbraw/zinc/21/59/91/169215991.db2.gz ROOXHLQUGCFQSM-RXMQYKEDSA-N 1 0 117.217 0.698 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@H]1O 32182292 169216087 /nfs/dbraw/zinc/21/60/87/169216087.db2.gz VORALDSQPSWPRK-PHDIDXHHSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCC[C@@H](O)C1 70038094 169216097 /nfs/dbraw/zinc/21/60/97/169216097.db2.gz WFTIZANRIDXCBN-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 ACAARO [NH3+]C[C@H]1CCN(CC(F)F)C1 50247358 169216120 /nfs/dbraw/zinc/21/61/20/169216120.db2.gz FRBSXPYDDLBWAN-ZCFIWIBFSA-N 1 0 164.199 0.532 50 0 ACAARO [NH3+]C[C@H]1CCCS1 34614719 169216412 /nfs/dbraw/zinc/21/64/12/169216412.db2.gz FLHFMMKGHUKQHI-RXMQYKEDSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO [NH3+]C[C@H]1CCCN1c1cccnn1 53663460 169216449 /nfs/dbraw/zinc/21/64/49/169216449.db2.gz QBYSLLHNRZLIEH-MRVPVSSYSA-N 1 0 178.239 0.404 50 0 in-vitro ACAARO [NH3+]Cc1c[n+]([O-])ccc1C(F)(F)F 44249991 169218287 /nfs/dbraw/zinc/21/82/87/169218287.db2.gz UWKFOLKCXQGJMI-UHFFFAOYSA-N 1 0 192.140 0.798 50 0 ACAARO [NH3+]Cc1c[nH]nc1C(F)(F)F 82851187 169218388 /nfs/dbraw/zinc/21/83/88/169218388.db2.gz CLPPCPIPIUXYDE-UHFFFAOYSA-N 1 0 165.118 0.887 50 0 ACAARO [NH3+]Cc1cc(-c2ccncc2)n[nH]1 50478880 169218399 /nfs/dbraw/zinc/21/83/99/169218399.db2.gz RNRVXVQGZVKOAG-UHFFFAOYSA-N 1 0 174.207 0.930 50 0 in-vitro ACAARO [NH3+]Cc1cc(C(F)(F)F)n[nH]1 72209522 169218627 /nfs/dbraw/zinc/21/86/27/169218627.db2.gz LLYMWMOKKONGOI-UHFFFAOYSA-N 1 0 165.118 0.887 50 0 ACAARO [NH3+]Cc1c[nH]c(=O)c(Cl)c1 83339690 169218632 /nfs/dbraw/zinc/21/86/32/169218632.db2.gz TUSBQROWQLSLFD-UHFFFAOYSA-N 1 0 158.588 0.487 50 0 ACAARO [NH3+]Cc1c[nH]c2ncncc12 24729938 169218676 /nfs/dbraw/zinc/21/86/76/169218676.db2.gz UXRNIFCCEYBGLW-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 ACAARO [NH3+]Cc1cc(=O)n2ccccc2n1 47844254 169218774 /nfs/dbraw/zinc/21/87/74/169218774.db2.gz QZENZOKMVUQPGC-UHFFFAOYSA-N 1 0 175.191 0.153 50 0 ACAARO NC(=O)c1oc2ccccc2c1C[NH3+] 57218401 169218841 /nfs/dbraw/zinc/21/88/41/169218841.db2.gz XCLVOKQBAZMTIN-UHFFFAOYSA-N 1 0 190.202 0.990 50 0 ACAARO [NH3+]Cc1cc(=O)c2ccccc2[nH]1 77255394 169218971 /nfs/dbraw/zinc/21/89/71/169218971.db2.gz UAXWFGJUBIDUNN-UHFFFAOYSA-N 1 0 174.203 0.987 50 0 ACAARO [NH3+]Cc1cc(C[NH3+])cc(C(=O)[O-])c1 8699922 169219060 /nfs/dbraw/zinc/21/90/60/169219060.db2.gz VDPOXFVWUYMSLQ-UHFFFAOYSA-N 1 0 180.207 0.302 50 0 ACAARO [NH3+]Cc1cc(C2CC2)n[nH]1 4386894 169219094 /nfs/dbraw/zinc/21/90/94/169219094.db2.gz HBZWOJBTQUEVIF-UHFFFAOYSA-N 1 0 137.186 0.746 50 0 in-vitro ACAARO [NH3+]Cc1cc(=O)[nH]c2ccccc12 19722866 169219272 /nfs/dbraw/zinc/21/92/72/169219272.db2.gz RDXKAGOGKMCTBH-UHFFFAOYSA-N 1 0 174.203 0.987 50 0 in-vitro ACAARO [NH3+]Cc1cc(Br)no1 2577996 169219292 /nfs/dbraw/zinc/21/92/92/169219292.db2.gz LCFSQWLCIUITOH-UHFFFAOYSA-N 1 0 177.001 0.896 50 0 in-vitro ACAARO Nc1cccc(F)c1C[NH3+] 4240288 169219519 /nfs/dbraw/zinc/21/95/19/169219519.db2.gz KBIXYFABFIYSAU-UHFFFAOYSA-N 1 0 140.161 0.867 50 0 in-vitro ACAARO [NH3+]Cc1c2c(n[nH]c1=O)CCCC2 77060290 169219626 /nfs/dbraw/zinc/21/96/26/169219626.db2.gz DHIKVGCSCXTXJK-UHFFFAOYSA-N 1 0 179.223 0.107 50 0 ACAARO [NH3+]Cc1cc(Cl)c[nH]c1=O 83339691 169220113 /nfs/dbraw/zinc/22/01/13/169220113.db2.gz DLXRPFXKWWTZRT-UHFFFAOYSA-N 1 0 158.588 0.487 50 0 ACAARO Nc1ccc(F)c(C[NH3+])c1 39118537 169220146 /nfs/dbraw/zinc/22/01/46/169220146.db2.gz IAPWZQWCTVUHEA-UHFFFAOYSA-N 1 0 140.161 0.867 50 0 ACAARO Nc1cc(F)cc(C[NH3+])c1 79387697 169220241 /nfs/dbraw/zinc/22/02/41/169220241.db2.gz KEIXKVWNQGTZAQ-UHFFFAOYSA-N 1 0 140.161 0.867 50 0 ACAARO [NH3+]Cc1cc2c(=O)nc[nH]c2s1 19773130 169220374 /nfs/dbraw/zinc/22/03/74/169220374.db2.gz VKYZFILWLQCMEQ-UHFFFAOYSA-N 1 0 181.220 0.443 50 0 ACAARO [NH3+]Cc1cc(F)ccn1 44831826 169220380 /nfs/dbraw/zinc/22/03/80/169220380.db2.gz DNMPPSVFDPNLTC-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 ACAARO [NH3+]Cc1cc(OC2COC2)ccn1 83351122 169220442 /nfs/dbraw/zinc/22/04/42/169220442.db2.gz QPHCNYUENDZHPF-UHFFFAOYSA-N 1 0 180.207 0.318 50 0 ACAARO [NH3+]Cc1cc2c(cn1)OCCO2 82851898 169220578 /nfs/dbraw/zinc/22/05/78/169220578.db2.gz IFOOHAKUPKRGJD-UHFFFAOYSA-N 1 0 166.180 0.312 50 0 in-vitro ACAARO [NH3+]Cc1cc(OC2CCC2)ncn1 98214029 169220587 /nfs/dbraw/zinc/22/05/87/169220587.db2.gz DBKAAZQIZQKWRQ-UHFFFAOYSA-N 1 0 179.223 0.867 50 0 ACAARO [NH3+]Cc1cc(Cl)ncn1 72267027 169220667 /nfs/dbraw/zinc/22/06/67/169220667.db2.gz JCRPPUPAPVOGRW-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 ACAARO [NH3+]Cc1cc(O)ccc1F 75926746 169220734 /nfs/dbraw/zinc/22/07/34/169220734.db2.gz SXPUYUKLYFBBLR-UHFFFAOYSA-N 1 0 141.145 0.990 50 0 in-vitro ACAARO [NH3+]Cc1cc2ccccc2[nH]c1=O 11980025 169220800 /nfs/dbraw/zinc/22/08/00/169220800.db2.gz MLESURIUDBBHSZ-UHFFFAOYSA-N 1 0 174.203 0.987 50 0 in-vitro ACAARO [NH3+]Cc1cc2c([nH]c1=O)CCCC2 43404603 169220807 /nfs/dbraw/zinc/22/08/07/169220807.db2.gz XQNXXQGHSDDDQO-UHFFFAOYSA-N 1 0 178.235 0.712 50 0 ACAARO Nc1ccnc(C[NH3+])c1 44547431 169220872 /nfs/dbraw/zinc/22/08/72/169220872.db2.gz AURGEKGUIZVWLL-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 ACAARO [NH3+]Cc1cc(OCC2CC2)ncn1 98214048 169220929 /nfs/dbraw/zinc/22/09/29/169220929.db2.gz CFLNFQFIGIYGJM-UHFFFAOYSA-N 1 0 179.223 0.724 50 0 ACAARO [NH3+]Cc1cc2c([nH]c1=O)CCC2 43404609 169221011 /nfs/dbraw/zinc/22/10/11/169221011.db2.gz ACEPGLSYFIHKNB-UHFFFAOYSA-N 1 0 164.208 0.322 50 0 in-vitro ACAARO [NH3+]Cc1cc(O)cc(O)c1 2524616 169221173 /nfs/dbraw/zinc/22/11/73/169221173.db2.gz AZQGXRRASGSLAD-UHFFFAOYSA-N 1 0 139.154 0.557 50 0 in-vitro ACAARO [NH3+]Cc1cc2c(cn1)OCO2 82841251 169221176 /nfs/dbraw/zinc/22/11/76/169221176.db2.gz HFVGGZKIYLOLDX-UHFFFAOYSA-N 1 0 152.153 0.269 50 0 in-vitro ACAARO [NH3+]Cc1cc(=O)[nH]s1 84548952 169221246 /nfs/dbraw/zinc/22/12/46/169221246.db2.gz QVBUOPGWPXUAHT-UHFFFAOYSA-N 1 0 130.172 0.307 50 0 in-vitro ACAARO NC(=O)Cc1ccc(C[NH3+])cc1 34568492 169221528 /nfs/dbraw/zinc/22/15/28/169221528.db2.gz YPYSQDYLCWIDNJ-UHFFFAOYSA-N 1 0 164.208 0.173 50 0 in-vitro ACAARO [NH3+]Cc1cc2n(n1)CCCC2 82841160 169221744 /nfs/dbraw/zinc/22/17/44/169221744.db2.gz OBGJBMOLTSESKQ-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 ACAARO [NH3+]Cc1ccc(Cl)nn1 79438415 169221763 /nfs/dbraw/zinc/22/17/63/169221763.db2.gz NXUGXZBODUKCKN-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-n2cncn2)nc1 21962488 169221797 /nfs/dbraw/zinc/22/17/97/169221797.db2.gz OYKBIOMRHSNXDK-UHFFFAOYSA-N 1 0 175.195 0.121 50 0 in-vitro ACAARO [NH3+]Cc1ccc(CO)c(F)c1 36379875 169221798 /nfs/dbraw/zinc/22/17/98/169221798.db2.gz YSIFHBZGHVOVAS-UHFFFAOYSA-N 1 0 155.172 0.777 50 0 in-vitro ACAARO [NH3+]Cc1ccc(C(=O)N2CCC2)cc1 20284039 169221824 /nfs/dbraw/zinc/22/18/24/169221824.db2.gz BEHJTKLUXOJBTH-UHFFFAOYSA-N 1 0 190.246 0.991 50 0 ACAARO [NH3+]Cc1ccc(-n2nccn2)cc1 82868266 169221955 /nfs/dbraw/zinc/22/19/55/169221955.db2.gz IVJOPXRGTBMJDS-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 ACAARO [NH3+]Cc1ccc(COCCO)c(F)c1 19870753 169222010 /nfs/dbraw/zinc/22/20/10/169222010.db2.gz RFRGMFXWJDEXLK-UHFFFAOYSA-N 1 0 199.225 0.793 50 0 in-vitro ACAARO [NH3+]Cc1cc2cnoc2cn1 169804270 169222089 /nfs/dbraw/zinc/22/20/89/169222089.db2.gz YMBGKSSGSRQZML-UHFFFAOYSA-N 1 0 149.153 0.682 50 0 ACAARO [NH3+]Cc1ccc(-c2nc[nH]n2)cc1 42040846 169222135 /nfs/dbraw/zinc/22/21/35/169222135.db2.gz OSHIEGUUJIKTHR-UHFFFAOYSA-N 1 0 174.207 0.930 50 0 ACAARO [NH3+]Cc1cc2ccccn2n1 2527294 169222164 /nfs/dbraw/zinc/22/21/64/169222164.db2.gz ZMUQQQPLBINFTP-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO NC(=O)c1ccc(C[NH3+])cc1 3394334 169222167 /nfs/dbraw/zinc/22/21/67/169222167.db2.gz JKIHDSIADUBKPU-UHFFFAOYSA-N 1 0 150.181 0.244 50 0 in-vitro ACAARO [NH3+]Cc1ccc(CO)cc1 16696872 169222212 /nfs/dbraw/zinc/22/22/12/169222212.db2.gz WMOUKOAUAFESMR-UHFFFAOYSA-N 1 0 137.182 0.638 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-n2cncn2)cc1 19089744 169222261 /nfs/dbraw/zinc/22/22/61/169222261.db2.gz WJLYNSNEGTXEFD-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-n2ccnn2)cc1 82655561 169222302 /nfs/dbraw/zinc/22/23/02/169222302.db2.gz VUNXEIFTRGQGPP-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 ACAARO [NH3+]Cc1cc[nH]c1 71495166 169222350 /nfs/dbraw/zinc/22/23/50/169222350.db2.gz YECAHBRVIMAHCI-UHFFFAOYSA-N 1 0 96.133 0.473 50 0 ACAARO [NH3+]Cc1cc2oncc2cn1 169804272 169222351 /nfs/dbraw/zinc/22/23/51/169222351.db2.gz OVSJDOJYOQHKEX-UHFFFAOYSA-N 1 0 149.153 0.682 50 0 ACAARO Nc1cc(C[NH3+])ccc1F 79387247 169222371 /nfs/dbraw/zinc/22/23/71/169222371.db2.gz KXYSHPLPGOFUTJ-UHFFFAOYSA-N 1 0 140.161 0.867 50 0 ACAARO [NH3+]Cc1ccc(Cn2cncn2)cc1 8390428 169222386 /nfs/dbraw/zinc/22/23/86/169222386.db2.gz KMPKPILPTOOGNK-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 in-vitro ACAARO [NH3+]Cc1ccc(C=O)cc1 2524623 169222404 /nfs/dbraw/zinc/22/24/04/169222404.db2.gz WTOVNDAVEOVZAL-UHFFFAOYSA-N 1 0 135.166 0.958 50 0 in-vitro ACAARO [NH3+]Cc1ccc(F)c(O)c1 82410097 169222435 /nfs/dbraw/zinc/22/24/35/169222435.db2.gz MITDKCUPBXYTCM-UHFFFAOYSA-N 1 0 141.145 0.990 50 0 ACAARO [NH3+]Cc1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 2572706 169222498 /nfs/dbraw/zinc/22/24/98/169222498.db2.gz GNVNKFUEUXUWDV-VIFPVBQESA-N 1 0 194.234 0.100 50 0 in-vitro ACAARO [NH3+]Cc1ccc(F)c(CO)c1 36949455 169222571 /nfs/dbraw/zinc/22/25/71/169222571.db2.gz WHXOBCJIBLEPNH-UHFFFAOYSA-N 1 0 155.172 0.777 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-n2ccnc2)nc1 9318761 169222603 /nfs/dbraw/zinc/22/26/03/169222603.db2.gz DXCOYPGAPMVKEN-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-c2nncnn2)cc1 86029507 169222640 /nfs/dbraw/zinc/22/26/40/169222640.db2.gz JGCOJRPYFRRONJ-UHFFFAOYSA-N 1 0 187.206 0.392 50 0 in-vitro ACAARO [NH3+]Cc1ccc(CO)o1 6536863 169222664 /nfs/dbraw/zinc/22/26/64/169222664.db2.gz AMANOVBJYCBOPN-UHFFFAOYSA-N 1 0 127.143 0.231 50 0 in-vitro ACAARO [NH3+]Cc1cc2n(n1)CCC2 18482263 169222694 /nfs/dbraw/zinc/22/26/94/169222694.db2.gz ZMHIKERLIAEXLT-UHFFFAOYSA-N 1 0 137.186 0.288 50 0 ACAARO [NH3+]Cc1cc2n(n1)CCCO2 45930314 169222762 /nfs/dbraw/zinc/22/27/62/169222762.db2.gz MGMWFYWOSLWJMW-UHFFFAOYSA-N 1 0 153.185 0.124 50 0 ACAARO [NH3+]Cc1ccc(CCO)cc1 44248523 169222803 /nfs/dbraw/zinc/22/28/03/169222803.db2.gz AFVFCILZTYPZEK-UHFFFAOYSA-N 1 0 151.209 0.680 50 0 ACAARO [NH3+]Cc1ccc(C[C@@H]([NH3+])C(=O)[O-])cc1 71257747 169222837 /nfs/dbraw/zinc/22/28/37/169222837.db2.gz GNVNKFUEUXUWDV-SECBINFHSA-N 1 0 194.234 0.100 50 0 in-vitro ACAARO [NH3+]Cc1ccc(-n2cccn2)nc1 9220748 169222852 /nfs/dbraw/zinc/22/28/52/169222852.db2.gz UHZFUHSBSCYJJV-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO Nc1ccc(C[NH3+])c(F)c1 39118493 169223079 /nfs/dbraw/zinc/22/30/79/169223079.db2.gz BKWCMHZDPKBMJC-UHFFFAOYSA-N 1 0 140.161 0.867 50 0 ACAARO [NH3+]Cc1ccc(O)cc1 153933 169223137 /nfs/dbraw/zinc/22/31/37/169223137.db2.gz RQJDUEKERVZLLU-UHFFFAOYSA-N 1 0 123.155 0.851 50 0 endogenous,in-man ACAARO [NH3+]Cc1ccc(O)c(F)c1 36887037 169223139 /nfs/dbraw/zinc/22/31/39/169223139.db2.gz IYXYEJVZFHQIHQ-UHFFFAOYSA-N 1 0 141.145 0.990 50 0 in-vitro ACAARO NC(=O)COc1ccc(C[NH3+])cc1 12505263 169223160 /nfs/dbraw/zinc/22/31/60/169223160.db2.gz YVPJXVQVMWXILL-UHFFFAOYSA-N 1 0 180.207 0.009 50 0 in-vitro ACAARO [NH3+]Cc1ccc(O)cn1 66322804 169223180 /nfs/dbraw/zinc/22/31/80/169223180.db2.gz LOSPQOIONHJXIF-UHFFFAOYSA-N 1 0 124.143 0.246 50 0 in-vitro ACAARO [NH3+]Cc1ccc(OCCO)cc1 19870495 169223252 /nfs/dbraw/zinc/22/32/52/169223252.db2.gz GEHZGEZFRQBILO-UHFFFAOYSA-N 1 0 167.208 0.516 50 0 in-vitro ACAARO [NH3+]Cc1ccc(N2CC[C@@H](O)C2)nc1 42783586 169223285 /nfs/dbraw/zinc/22/32/85/169223285.db2.gz YNKBNICRXSBDBT-SECBINFHSA-N 1 0 193.250 0.111 50 0 ACAARO [NH3+]Cc1ccc(OCCN2CC2)nc1 20357688 169223293 /nfs/dbraw/zinc/22/32/93/169223293.db2.gz SZWKFJRUYQHALE-UHFFFAOYSA-N 1 0 193.250 0.235 50 0 ACAARO [NH3+]Cc1ccc(F)nc1 35570030 169223298 /nfs/dbraw/zinc/22/32/98/169223298.db2.gz KYRWSLUCAPNJPI-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO NC(=O)Nc1ccc(C[NH3+])cc1 12505322 169223343 /nfs/dbraw/zinc/22/33/43/169223343.db2.gz NTXHODRGDRNTNY-UHFFFAOYSA-N 1 0 165.196 0.636 50 0 in-vitro ACAARO [NH3+]Cc1ccc2c(=O)cc[nH]c2c1 38760565 169223354 /nfs/dbraw/zinc/22/33/54/169223354.db2.gz CBYIXOGCVSMBQK-UHFFFAOYSA-N 1 0 174.203 0.987 50 0 in-vitro ACAARO Nc1noc2cc(C[NH3+])ccc12 104469781 169223368 /nfs/dbraw/zinc/22/33/68/169223368.db2.gz GHYKJSGZYRADNG-UHFFFAOYSA-N 1 0 163.180 0.869 50 0 ACAARO [NH3+]Cc1ccc2[nH]c(=O)[nH]c2c1 5027238 169223441 /nfs/dbraw/zinc/22/34/41/169223441.db2.gz YNXIDSJGHTXVPW-UHFFFAOYSA-N 1 0 163.180 0.315 50 0 in-vitro ACAARO [NH3+]Cc1ccc([C@@H]([NH3+])C(=O)[O-])cc1 144592587 169223452 /nfs/dbraw/zinc/22/34/52/169223452.db2.gz ASRVEEPYXSBQFY-MRVPVSSYSA-N 1 0 180.207 0.230 50 0 ACAARO [NH3+]Cc1ccc(N2CCNC2=O)cc1 20213250 169223542 /nfs/dbraw/zinc/22/35/42/169223542.db2.gz KWSZXYDYUDVQJT-UHFFFAOYSA-N 1 0 191.234 0.675 50 0 in-vitro ACAARO [NH3+]Cc1ccc(OC2COC2)cc1 71792973 169223568 /nfs/dbraw/zinc/22/35/68/169223568.db2.gz DJBYTGDFBZCFDU-UHFFFAOYSA-N 1 0 179.219 0.923 50 0 in-vitro ACAARO [NH3+]Cc1ccc(N2CC[C@H](O)C2)nc1 42783585 169223693 /nfs/dbraw/zinc/22/36/93/169223693.db2.gz YNKBNICRXSBDBT-VIFPVBQESA-N 1 0 193.250 0.111 50 0 ACAARO Nc1n[nH]c2cc(C[NH3+])ccc12 80169974 169223715 /nfs/dbraw/zinc/22/37/15/169223715.db2.gz WVCSMKWWSLUJBY-UHFFFAOYSA-N 1 0 162.196 0.604 50 0 in-vitro ACAARO [NH3+]Cc1ccc2[nH]c(=O)oc2c1 69803407 169223739 /nfs/dbraw/zinc/22/37/39/169223739.db2.gz JWYHOKXCOMTHIK-UHFFFAOYSA-N 1 0 164.164 0.580 50 0 ACAARO Nc1ccc(C[NH3+])nc1 21985576 169223771 /nfs/dbraw/zinc/22/37/71/169223771.db2.gz YXDAMOUNDLMYLT-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO Nc1ccc(C[NH3+])cc1O 82410666 169223774 /nfs/dbraw/zinc/22/37/74/169223774.db2.gz AEUCNLPMBDBHOL-UHFFFAOYSA-N 1 0 138.170 0.433 50 0 in-vitro ACAARO [NH3+]Cc1ccc(O)cc1F 2524620 169223808 /nfs/dbraw/zinc/22/38/08/169223808.db2.gz VPSAMJPQAGOBGM-UHFFFAOYSA-N 1 0 141.145 0.990 50 0 in-vitro ACAARO Nc1ccc(C[NH3+])cn1 26895568 169223815 /nfs/dbraw/zinc/22/38/15/169223815.db2.gz PHBVTMQLXNCAQO-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1ccc(F)cn1 39050203 169223837 /nfs/dbraw/zinc/22/38/37/169223837.db2.gz OALKYGZLLCDVEN-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1ccc([C@H]([NH3+])C(=O)[O-])cc1 144592383 169223864 /nfs/dbraw/zinc/22/38/64/169223864.db2.gz ASRVEEPYXSBQFY-QMMMGPOBSA-N 1 0 180.207 0.230 50 0 ACAARO Nc1ccc(C[NH3+])cc1N 44248882 169223870 /nfs/dbraw/zinc/22/38/70/169223870.db2.gz NIFORNFMPZNGPI-UHFFFAOYSA-N 1 0 137.186 0.310 50 0 ACAARO [NH3+]Cc1cccc2c1OCC(=O)N2 82870263 169223981 /nfs/dbraw/zinc/22/39/81/169223981.db2.gz UTEIBZWEKRPTQM-UHFFFAOYSA-N 1 0 178.191 0.476 50 0 ACAARO [NH3+]Cc1ccc[nH]1 11848725 169224038 /nfs/dbraw/zinc/22/40/38/169224038.db2.gz YXMWGHKZTMANIJ-UHFFFAOYSA-N 1 0 96.133 0.473 50 0 in-vitro ACAARO Nc1cccc(C[NH3+])c1 2555318 169224114 /nfs/dbraw/zinc/22/41/14/169224114.db2.gz ZDBWYUOUYNQZBM-UHFFFAOYSA-N 1 0 122.171 0.728 50 0 in-vitro ACAARO [NH3+]Cc1cccc2c1NC(=O)C2 44248982 169224118 /nfs/dbraw/zinc/22/41/18/169224118.db2.gz CKIMGYNVRWHHTA-UHFFFAOYSA-N 1 0 162.192 0.640 50 0 ACAARO Nc1cccc(C[NH3+])n1 39051175 169224121 /nfs/dbraw/zinc/22/41/21/169224121.db2.gz UTKGYZXUDZUKIM-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO NC(=O)Nc1cccc(C[NH3+])c1 20284988 169224125 /nfs/dbraw/zinc/22/41/25/169224125.db2.gz VWRLPFDNAPTGQA-UHFFFAOYSA-N 1 0 165.196 0.636 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1-n1cncn1 4343560 169224227 /nfs/dbraw/zinc/22/42/27/169224227.db2.gz NIIBEJVCPXCXBQ-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO Nc1noc2ccc(C[NH3+])cc12 72319619 169224233 /nfs/dbraw/zinc/22/42/33/169224233.db2.gz YYWMOSYJDKAWRX-UHFFFAOYSA-N 1 0 163.180 0.869 50 0 ACAARO [NH3+]Cc1ccccc1CO 20216402 169224325 /nfs/dbraw/zinc/22/43/25/169224325.db2.gz FTFHSGKASINZBY-UHFFFAOYSA-N 1 0 137.182 0.638 50 0 in-vitro ACAARO [NH3+]Cc1cccc2c1OCCO2 4277241 169224365 /nfs/dbraw/zinc/22/43/65/169224365.db2.gz OKRXRKUGZVMPKX-UHFFFAOYSA-N 1 0 165.192 0.917 50 0 in-vitro ACAARO [NH3+]Cc1cccc(C[C@H]([NH3+])C(=O)[O-])c1 4241976 169224371 /nfs/dbraw/zinc/22/43/71/169224371.db2.gz YBVDQQQEPCEKPR-VIFPVBQESA-N 1 0 194.234 0.100 50 0 ACAARO [NH3+]Cc1ccccc1N1CC[C@@H](O)C1 42783817 169224403 /nfs/dbraw/zinc/22/44/03/169224403.db2.gz LTBPBFJZHZJYOR-SNVBAGLBSA-N 1 0 192.262 0.716 50 0 ACAARO [NH3+]Cc1cccc(CO)c1 36949454 169224408 /nfs/dbraw/zinc/22/44/08/169224408.db2.gz KCTYUINIEPILPS-UHFFFAOYSA-N 1 0 137.182 0.638 50 0 in-vitro ACAARO [NH3+]Cc1cccc(C[C@@H]([NH3+])C(=O)[O-])c1 4241978 169224438 /nfs/dbraw/zinc/22/44/38/169224438.db2.gz YBVDQQQEPCEKPR-SECBINFHSA-N 1 0 194.234 0.100 50 0 ACAARO [NH3+]Cc1ccccc1N1CC[C@H](O)C1 42783816 169224479 /nfs/dbraw/zinc/22/44/79/169224479.db2.gz LTBPBFJZHZJYOR-JTQLQIEISA-N 1 0 192.262 0.716 50 0 ACAARO [NH3+]Cc1cccc(-n2ccnc2)n1 20357693 169224498 /nfs/dbraw/zinc/22/44/98/169224498.db2.gz FDLWUPPSUSTXML-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 ACAARO [NH3+]Cc1cccc2c1OCO2 32629439 169224530 /nfs/dbraw/zinc/22/45/30/169224530.db2.gz WOSCKVGRNOPBKO-UHFFFAOYSA-N 1 0 151.165 0.874 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1Cn1cncn1 20282989 169224587 /nfs/dbraw/zinc/22/45/87/169224587.db2.gz PUQTWRVJAQDULB-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 in-vitro ACAARO [NH3+]Cc1cccc(F)n1 39050862 169224606 /nfs/dbraw/zinc/22/46/06/169224606.db2.gz VZKASTPCSJWJIG-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1OCCO 19966559 169224628 /nfs/dbraw/zinc/22/46/28/169224628.db2.gz LEFZVRBJXDFHRV-UHFFFAOYSA-N 1 0 167.208 0.516 50 0 in-vitro ACAARO [NH3+]Cc1cccc(CO)n1 21985022 169224639 /nfs/dbraw/zinc/22/46/39/169224639.db2.gz YDFGMPWIEVDROI-UHFFFAOYSA-N 1 0 138.170 0.033 50 0 in-vitro ACAARO NC(=O)COc1cccc(C[NH3+])c1 21960373 169224659 /nfs/dbraw/zinc/22/46/59/169224659.db2.gz UQTQQXUINDFQCE-UHFFFAOYSA-N 1 0 180.207 0.009 50 0 in-vitro ACAARO [NH3+]Cc1cccc(Cn2cncn2)c1 12481228 169224663 /nfs/dbraw/zinc/22/46/63/169224663.db2.gz DXPPQGUOVJOLCL-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO NC(=O)COc1ccccc1C[NH3+] 20285754 169224666 /nfs/dbraw/zinc/22/46/66/169224666.db2.gz KZHYCNKGHCDHBS-UHFFFAOYSA-N 1 0 180.207 0.009 50 0 ACAARO [NH3+]Cc1cccc2ccnn12 66354402 169224723 /nfs/dbraw/zinc/22/47/23/169224723.db2.gz XXNGBAGZEYIERT-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO Nc1ccccc1C[NH3+] 389679 169224726 /nfs/dbraw/zinc/22/47/26/169224726.db2.gz GVOYKJPMUUJXBS-UHFFFAOYSA-N 1 0 122.171 0.728 50 0 in-vitro ACAARO [NH3+]Cc1cccc(OC2COC2)n1 83351121 169224750 /nfs/dbraw/zinc/22/47/50/169224750.db2.gz PARHYWHLQLWMCA-UHFFFAOYSA-N 1 0 180.207 0.318 50 0 ACAARO [NH3+]Cc1ccccn1 11050 169224752 /nfs/dbraw/zinc/22/47/52/169224752.db2.gz WOXFMYVTSLAQMO-UHFFFAOYSA-N 1 0 108.144 0.540 50 0 in-vitro ACAARO [NH3+]Cc1cccc2nonc12 82840162 169224761 /nfs/dbraw/zinc/22/47/61/169224761.db2.gz NYGJSNSHXJNZPH-UHFFFAOYSA-N 1 0 149.153 0.682 50 0 ACAARO NC(=O)c1cccc(C[NH3+])c1 19722424 169224776 /nfs/dbraw/zinc/22/47/76/169224776.db2.gz HYHLWVJLJXARGY-UHFFFAOYSA-N 1 0 150.181 0.244 50 0 in-vitro ACAARO [NH3+]Cc1cccc(-c2nc[nH]n2)c1 42040791 169224780 /nfs/dbraw/zinc/22/47/80/169224780.db2.gz AUKXMWCZHJEYEQ-UHFFFAOYSA-N 1 0 174.207 0.930 50 0 in-vitro ACAARO [NH3+]Cc1cccc(O)c1F 79057780 169224850 /nfs/dbraw/zinc/22/48/50/169224850.db2.gz RFPOIMUJGPWEHA-UHFFFAOYSA-N 1 0 141.145 0.990 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1C[C@@H]([NH3+])C(=O)[O-] 4241966 169224866 /nfs/dbraw/zinc/22/48/66/169224866.db2.gz RDAKEAJYLGZEEA-SECBINFHSA-N 1 0 194.234 0.100 50 0 in-vitro ACAARO [NH3+]Cc1cccc(-n2ccnn2)c1 82655562 169224892 /nfs/dbraw/zinc/22/48/92/169224892.db2.gz UOOSRLZFDDWXBL-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1cccc(O)c1 153937 169224915 /nfs/dbraw/zinc/22/49/15/169224915.db2.gz JNZYADHPGVZMQK-UHFFFAOYSA-N 1 0 123.155 0.851 50 0 in-vitro ACAARO [NH3+]Cc1cccc(N2CCC2=O)c1 170091175 169224936 /nfs/dbraw/zinc/22/49/36/169224936.db2.gz AAXLWSIVUGGLSQ-UHFFFAOYSA-N 1 0 176.219 0.882 50 0 ACAARO [NH3+]Cc1cccc(-n2cncn2)c1 12370243 169224960 /nfs/dbraw/zinc/22/49/60/169224960.db2.gz JIGZDQMQHNQJOM-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1cccc(OC2COC2)c1 76603061 169224973 /nfs/dbraw/zinc/22/49/73/169224973.db2.gz FXAIYTYQOIQTTL-UHFFFAOYSA-N 1 0 179.219 0.923 50 0 in-vitro ACAARO NC(=O)c1ccccc1C[NH3+] 19510693 169224981 /nfs/dbraw/zinc/22/49/81/169224981.db2.gz VZOQYVHEWHJIBG-UHFFFAOYSA-N 1 0 150.181 0.244 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1-n1cnnn1 38312367 169224984 /nfs/dbraw/zinc/22/49/84/169224984.db2.gz KAPGCSIVXSTJOS-UHFFFAOYSA-N 1 0 175.195 0.121 50 0 in-vitro ACAARO [NH3+]Cc1ccccc1C[C@H]([NH3+])C(=O)[O-] 4241964 169224987 /nfs/dbraw/zinc/22/49/87/169224987.db2.gz RDAKEAJYLGZEEA-VIFPVBQESA-N 1 0 194.234 0.100 50 0 ACAARO [NH3+]Cc1cccc2c1NC(=O)CO2 82870264 169224992 /nfs/dbraw/zinc/22/49/92/169224992.db2.gz FRIQDVBTLDIJBA-UHFFFAOYSA-N 1 0 178.191 0.476 50 0 ACAARO [NH3+]Cc1ccc[nH]c1=O 22016788 169225179 /nfs/dbraw/zinc/22/51/79/169225179.db2.gz QHRUXDXIVIYFJJ-UHFFFAOYSA-N 1 0 124.143 0.246 50 0 in-vitro ACAARO [NH3+]Cc1cn2ccnc2cn1 91690708 169225196 /nfs/dbraw/zinc/22/51/96/169225196.db2.gz ZMAQDTCKEBKJBO-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO [NH3+]Cc1ccns1 62730829 169225205 /nfs/dbraw/zinc/22/52/05/169225205.db2.gz BEICBCXOTXQFLH-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 ACAARO [NH3+]Cc1ccnc(OCC2CC2)n1 98214049 169225288 /nfs/dbraw/zinc/22/52/88/169225288.db2.gz OOICFWJTWUCXQN-UHFFFAOYSA-N 1 0 179.223 0.724 50 0 ACAARO [NH3+]Cc1cn(-c2ccccc2)nn1 12336348 169225353 /nfs/dbraw/zinc/22/53/53/169225353.db2.gz LHCAALSSPCHRFS-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ccn(C(F)F)n1 72336347 169225377 /nfs/dbraw/zinc/22/53/77/169225377.db2.gz FCRKMDZQHMOEKA-UHFFFAOYSA-N 1 0 147.128 0.737 50 0 ACAARO [NH3+]Cc1c[nH]nc1C(F)F 85654870 169225406 /nfs/dbraw/zinc/22/54/06/169225406.db2.gz VEUKOXXMVUGSCO-UHFFFAOYSA-N 1 0 147.128 0.806 50 0 ACAARO [NH3+]Cc1cccnc1-n1cccn1 20283327 169225422 /nfs/dbraw/zinc/22/54/22/169225422.db2.gz PTKBQHDWXQSACL-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ccnc(-n2cccn2)c1 12480299 169225452 /nfs/dbraw/zinc/22/54/52/169225452.db2.gz WZVBELCNOMMBDV-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1cccnc1N1CC[C@H](O)C1 42783569 169225459 /nfs/dbraw/zinc/22/54/59/169225459.db2.gz FOUOXAPKPYQCSH-VIFPVBQESA-N 1 0 193.250 0.111 50 0 ACAARO [NH3+]Cc1ccn(CCF)n1 95093821 169225518 /nfs/dbraw/zinc/22/55/18/169225518.db2.gz LXWCMWQCGYFKTQ-UHFFFAOYSA-N 1 0 143.165 0.311 50 0 ACAARO [NH3+]Cc1ccn2nccc2c1 82839968 169225524 /nfs/dbraw/zinc/22/55/24/169225524.db2.gz VERDPKDNJSDFTB-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 ACAARO [NH3+]Cc1ccsn1 71617378 169225526 /nfs/dbraw/zinc/22/55/26/169225526.db2.gz FJGCCKCEAWBXCV-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 in-vitro ACAARO [NH3+]Cc1cccnc1F 35570026 169225530 /nfs/dbraw/zinc/22/55/30/169225530.db2.gz ORBSSWJRHPFEBR-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1ccnc(-c2ccccn2)n1 54791093 169225539 /nfs/dbraw/zinc/22/55/39/169225539.db2.gz VRFMDYCJJVRPNS-UHFFFAOYSA-N 1 0 186.218 0.997 50 0 in-vitro ACAARO [NH3+]Cc1cn2ccncc2n1 82840050 169225562 /nfs/dbraw/zinc/22/55/62/169225562.db2.gz AHZNAUDIACSCFO-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 ACAARO [NH3+]Cc1ccoc1 2582857 169225603 /nfs/dbraw/zinc/22/56/03/169225603.db2.gz XNABHFLZYMCJHE-UHFFFAOYSA-N 1 0 97.117 0.738 50 0 in-vitro ACAARO [NH3+]Cc1ccn2cnnc2c1 82840068 169225613 /nfs/dbraw/zinc/22/56/13/169225613.db2.gz RJOLOOGTOLNILX-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 ACAARO [NH3+]Cc1ccncc1F 35569964 169225637 /nfs/dbraw/zinc/22/56/37/169225637.db2.gz YPJQSIDUEOBFTE-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1cccn2ncnc12 82840066 169225653 /nfs/dbraw/zinc/22/56/53/169225653.db2.gz QYPGFDZNOLKUQK-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 ACAARO [NH3+]Cc1cccnc1N1CC[C@@H](O)C1 42783570 169225669 /nfs/dbraw/zinc/22/56/69/169225669.db2.gz FOUOXAPKPYQCSH-SECBINFHSA-N 1 0 193.250 0.111 50 0 ACAARO [NH3+]Cc1ccnn1CCF 95098612 169225679 /nfs/dbraw/zinc/22/56/79/169225679.db2.gz RQHGYAPFNGCMNE-UHFFFAOYSA-N 1 0 143.165 0.311 50 0 ACAARO [NH3+]Cc1ccn(CC(F)(F)F)n1 72209681 169225695 /nfs/dbraw/zinc/22/56/95/169225695.db2.gz QGONFWVVNFQGJT-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 in-vitro ACAARO Nc1cc(C[NH3+])ccn1 26895238 169225698 /nfs/dbraw/zinc/22/56/98/169225698.db2.gz YKQKTLFFQSDTGM-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1cn(-c2ccc(F)cc2)nn1 50224113 169225752 /nfs/dbraw/zinc/22/57/52/169225752.db2.gz UCAULDHLEZUWEP-UHFFFAOYSA-N 1 0 192.197 0.865 50 0 ACAARO [NH3+]Cc1cn(Cc2cccnc2)cn1 82530137 169225777 /nfs/dbraw/zinc/22/57/77/169225777.db2.gz UPCQBZHFBCDPJX-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO [NH3+]Cc1ccnc(-n2ccnc2)c1 20357685 169225785 /nfs/dbraw/zinc/22/57/85/169225785.db2.gz DQTSFNDKOUQLGP-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1cn2c(n1)CCCC2 49804558 169225807 /nfs/dbraw/zinc/22/58/07/169225807.db2.gz WUWAAVDRLMQLJM-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 in-vitro ACAARO [NH3+]Cc1cn2cccc(F)c2n1 82696286 169225813 /nfs/dbraw/zinc/22/58/13/169225813.db2.gz SCANSYXOOIQCBC-UHFFFAOYSA-N 1 0 165.171 0.932 50 0 ACAARO [NH3+]Cc1ccnc(O[C@@H]2CCOC2)c1 82452619 169225828 /nfs/dbraw/zinc/22/58/28/169225828.db2.gz GVQQUBYWNCZJSW-SECBINFHSA-N 1 0 194.234 0.708 50 0 in-vitro ACAARO [NH3+]Cc1cn2c(n1)SCC2 3883058 169225837 /nfs/dbraw/zinc/22/58/37/169225837.db2.gz LAZCCHCRSVJWPT-UHFFFAOYSA-N 1 0 155.226 0.448 50 0 in-vitro ACAARO [NH3+]Cc1cn(-c2ccccc2F)nn1 50224106 169225842 /nfs/dbraw/zinc/22/58/42/169225842.db2.gz KPOZIGHBGJDYMB-UHFFFAOYSA-N 1 0 192.197 0.865 50 0 ACAARO [NH3+]Cc1cccnc1-n1ccnc1 20281815 169225868 /nfs/dbraw/zinc/22/58/68/169225868.db2.gz FAZBWEWOIVCTJE-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ccnc(OCCN2CC2)c1 20357687 169225883 /nfs/dbraw/zinc/22/58/83/169225883.db2.gz KTWBOYRYQNYQKS-UHFFFAOYSA-N 1 0 193.250 0.235 50 0 ACAARO [NH3+]Cc1ccn(CC(F)F)n1 72209458 169225901 /nfs/dbraw/zinc/22/59/01/169225901.db2.gz YQFHBILBJMFIGM-UHFFFAOYSA-N 1 0 161.155 0.607 50 0 ACAARO [NH3+]Cc1ccnc(Cl)n1 39052398 169225940 /nfs/dbraw/zinc/22/59/40/169225940.db2.gz YLWQRUVKEZYEED-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 in-vitro ACAARO [NH3+]Cc1cn(Cc2ccccn2)cn1 82530136 169225961 /nfs/dbraw/zinc/22/59/61/169225961.db2.gz WQOXPXMVGSCNIC-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO [NH3+]Cc1ccnc(OC2CCC2)n1 98214034 169225968 /nfs/dbraw/zinc/22/59/68/169225968.db2.gz QSUHJJZBTPJHOG-UHFFFAOYSA-N 1 0 179.223 0.867 50 0 ACAARO [NH3+]Cc1cn(CC(F)(F)F)cn1 98213897 169225978 /nfs/dbraw/zinc/22/59/78/169225978.db2.gz MACPTCKRJZREKB-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 ACAARO Nc1ncccc1C[NH3+] 35569715 169225995 /nfs/dbraw/zinc/22/59/95/169225995.db2.gz MSEQBCDSEVCGDC-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1cn(Cc2ccccc2)nn1 50224506 169225998 /nfs/dbraw/zinc/22/59/98/169225998.db2.gz GRERKWAIZGIGIM-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO [NH3+]Cc1cn2ccccc2n1 2456080 169226002 /nfs/dbraw/zinc/22/60/02/169226002.db2.gz GBRIYMLJYQLICB-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 ACAARO [NH3+]Cc1cn2cccc(O)c2n1 36222613 169226051 /nfs/dbraw/zinc/22/60/51/169226051.db2.gz BLXYZRWRVMZKKB-UHFFFAOYSA-N 1 0 163.180 0.499 50 0 ACAARO [NH3+]Cc1cn(CC2CC2)cn1 255189759 169226084 /nfs/dbraw/zinc/22/60/84/169226084.db2.gz RVZVVGISMMADSX-UHFFFAOYSA-N 1 0 151.213 0.752 50 0 ACAARO [NH3+]Cc1ccnc(-n2cncn2)c1 22219449 169226103 /nfs/dbraw/zinc/22/61/03/169226103.db2.gz DUYAAJSVDJDKHV-UHFFFAOYSA-N 1 0 175.195 0.121 50 0 in-vitro ACAARO [NH3+]Cc1cn2ccsc2n1 3885924 169226105 /nfs/dbraw/zinc/22/61/05/169226105.db2.gz DHSVDAKPQOFXKO-UHFFFAOYSA-N 1 0 153.210 0.855 50 0 in-vitro ACAARO [NH3+]Cc1cn2ncsc2n1 34929206 169226133 /nfs/dbraw/zinc/22/61/33/169226133.db2.gz BZAIJKINYSPWLK-UHFFFAOYSA-N 1 0 154.198 0.250 50 0 ACAARO [NH3+]Cc1ccco1 1681227 169226136 /nfs/dbraw/zinc/22/61/36/169226136.db2.gz DDRPCXLAQZKBJP-UHFFFAOYSA-N 1 0 97.117 0.738 50 0 in-vitro ACAARO Nc1cnccc1C[NH3+] 13608474 169226153 /nfs/dbraw/zinc/22/61/53/169226153.db2.gz FPKNYDPZJJXIMY-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 ACAARO [NH3+]Cc1cccnc1-n1cncn1 22173734 169226181 /nfs/dbraw/zinc/22/61/81/169226181.db2.gz ZOTWLOCOCZAXCJ-UHFFFAOYSA-N 1 0 175.195 0.121 50 0 in-vitro ACAARO [NH3+]Cc1cn2cccnc2n1 3887194 169226189 /nfs/dbraw/zinc/22/61/89/169226189.db2.gz PFJRNIUANBPJHS-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO [NH3+]Cc1ccnc(F)c1 35569962 169226206 /nfs/dbraw/zinc/22/62/06/169226206.db2.gz LPEUVSAZSYDINS-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1ccno1 20417401 169226211 /nfs/dbraw/zinc/22/62/11/169226211.db2.gz OYNWFDBANWIYDA-UHFFFAOYSA-N 1 0 98.105 0.133 50 0 in-vitro ACAARO [NH3+]Cc1cn(-c2cccc(F)c2)nn1 50224102 169226229 /nfs/dbraw/zinc/22/62/29/169226229.db2.gz LLVORQGLVZJFED-UHFFFAOYSA-N 1 0 192.197 0.865 50 0 ACAARO [NH3+]Cc1ccn2ccnc2c1 36243342 169226232 /nfs/dbraw/zinc/22/62/32/169226232.db2.gz JOQDUOWWWPMEHJ-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO [NH3+]Cc1cn(CCF)cn1 255188307 169226249 /nfs/dbraw/zinc/22/62/49/169226249.db2.gz JJBXEZDLTAJKSF-UHFFFAOYSA-N 1 0 143.165 0.311 50 0 ACAARO [NH3+]Cc1cn2cc(F)ccc2n1 36243578 169226272 /nfs/dbraw/zinc/22/62/72/169226272.db2.gz HFPOJHNMBWPIPA-UHFFFAOYSA-N 1 0 165.171 0.932 50 0 in-vitro ACAARO [NH3+]Cc1ccnn1CC(F)(F)F 72209663 169226297 /nfs/dbraw/zinc/22/62/97/169226297.db2.gz VQOOQQXZMXANBT-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 ACAARO [NH3+]Cc1ccncc1O 13542383 169226299 /nfs/dbraw/zinc/22/62/99/169226299.db2.gz SQKRQPZSEAOKMK-UHFFFAOYSA-N 1 0 124.143 0.246 50 0 in-vitro ACAARO [NH3+]Cc1ccon1 23529026 169226324 /nfs/dbraw/zinc/22/63/24/169226324.db2.gz NRYCMMCUURADTR-UHFFFAOYSA-N 1 0 98.105 0.133 50 0 in-vitro ACAARO [NH3+]Cc1ccnc2c1CC(=O)N2 89222175 169226340 /nfs/dbraw/zinc/22/63/40/169226340.db2.gz LOVWAAKQNLDFFZ-UHFFFAOYSA-N 1 0 163.180 0.035 50 0 ACAARO [NH3+]Cc1cccnc1 1944 169226343 /nfs/dbraw/zinc/22/63/43/169226343.db2.gz HDOUGSFASVGDCS-UHFFFAOYSA-N 1 0 108.144 0.540 50 0 world ACAARO [NH3+]Cc1ccnc(O[C@H]2CCOC2)c1 82452620 169226362 /nfs/dbraw/zinc/22/63/62/169226362.db2.gz GVQQUBYWNCZJSW-VIFPVBQESA-N 1 0 194.234 0.708 50 0 in-vitro ACAARO [NH3+]Cc1ccncc1 158598 169226385 /nfs/dbraw/zinc/22/63/85/169226385.db2.gz TXQWFIVRZNOPCK-UHFFFAOYSA-N 1 0 108.144 0.540 50 0 in-vitro ACAARO [NH3+]Cc1cn(Cc2ccncc2)cn1 82530138 169226403 /nfs/dbraw/zinc/22/64/03/169226403.db2.gz QVZLZZWHXVSCBR-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO [NH3+]Cc1cnc2n1CCC2 24397769 169226577 /nfs/dbraw/zinc/22/65/77/169226577.db2.gz BHHFKETYUKQRQB-UHFFFAOYSA-N 1 0 137.186 0.288 50 0 ACAARO [NH3+]Cc1cnn(-c2ccccc2)n1 14808454 169226628 /nfs/dbraw/zinc/22/66/28/169226628.db2.gz WDTYDDGWHKTJJD-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1cnc(Cl)nc1 75629393 169226680 /nfs/dbraw/zinc/22/66/80/169226680.db2.gz MHCBYPRBJFPLPP-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 in-vitro ACAARO [NH3+]Cc1cnc(C(F)(F)F)nc1 35322952 169226691 /nfs/dbraw/zinc/22/66/91/169226691.db2.gz SQBUZKFCCIEMGY-UHFFFAOYSA-N 1 0 177.129 0.954 50 0 ACAARO [NH3+]Cc1cnoc1 9355849 169226717 /nfs/dbraw/zinc/22/67/17/169226717.db2.gz XETGVWXXGWZBDG-UHFFFAOYSA-N 1 0 98.105 0.133 50 0 in-vitro ACAARO [NH3+]Cc1cnc(Cl)cn1 44832007 169226719 /nfs/dbraw/zinc/22/67/19/169226719.db2.gz SYZWYECIPSWFJM-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 ACAARO [NH3+]Cc1cnc2n1CCCC2 24539373 169226721 /nfs/dbraw/zinc/22/67/21/169226721.db2.gz JEZRDACHQQVYIB-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 in-vitro ACAARO Nc1ncc(C[NH3+])s1 41023139 169226741 /nfs/dbraw/zinc/22/67/41/169226741.db2.gz YVCRAVNZOVGDKJ-UHFFFAOYSA-N 1 0 129.188 0.184 50 0 ACAARO [NH3+]Cc1c[nH]cc2ncnc1-2 89203349 169226752 /nfs/dbraw/zinc/22/67/52/169226752.db2.gz KAPOTXPLPHCQFT-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 in-vitro ACAARO [NH3+]Cc1cnc2nccn2c1 82840074 169226813 /nfs/dbraw/zinc/22/68/13/169226813.db2.gz FJMLTMZYDHFBEY-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO [NH3+]Cc1cnn(CCF)c1 87777107 169226835 /nfs/dbraw/zinc/22/68/35/169226835.db2.gz WULTURUTIQJKKW-UHFFFAOYSA-N 1 0 143.165 0.311 50 0 ACAARO [NH3+]Cc1cncn1CC(F)(F)F 76602986 169226907 /nfs/dbraw/zinc/22/69/07/169226907.db2.gz ALPJRXTXJMWWEV-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 ACAARO [NH3+]Cc1cnn2c1CCCC2 24565174 169226933 /nfs/dbraw/zinc/22/69/33/169226933.db2.gz QMKXECLUUWXCTE-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 ACAARO [NH3+]Cc1cnc2n[nH]cc2c1 82840027 169226955 /nfs/dbraw/zinc/22/69/55/169226955.db2.gz JAZARHNKVZGLBJ-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 in-vitro ACAARO [NH3+]Cc1cnc2c[nH]nc2c1 81991238 169226985 /nfs/dbraw/zinc/22/69/85/169226985.db2.gz FFNWVJROYNXXMZ-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 ACAARO [NH3+]Cc1cncn1Cc1ccccn1 76633061 169227034 /nfs/dbraw/zinc/22/70/34/169227034.db2.gz XVILCMVKXMHYRJ-UHFFFAOYSA-N 1 0 188.234 0.785 50 0 ACAARO [NH3+]Cc1cnn(CC(F)F)c1 54716744 169227054 /nfs/dbraw/zinc/22/70/54/169227054.db2.gz IFJSFTLUBNRTRW-UHFFFAOYSA-N 1 0 161.155 0.607 50 0 ACAARO [NH3+]Cc1cnn(CC(F)(F)F)c1 40544236 169227070 /nfs/dbraw/zinc/22/70/70/169227070.db2.gz UVALCAJYDHOUCE-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 in-vitro ACAARO [NH3+]Cc1cncc(Cl)n1 85224518 169227092 /nfs/dbraw/zinc/22/70/92/169227092.db2.gz ODFNSYFUAVUKRF-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 ACAARO [NH3+]Cc1cnc2ccccn12 19093493 169227101 /nfs/dbraw/zinc/22/71/01/169227101.db2.gz HMKNKWJIRCGBBP-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO [NH3+]Cc1cnsc1 20441549 169227147 /nfs/dbraw/zinc/22/71/47/169227147.db2.gz KJVFHXCHZSQFKA-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 ACAARO [NH3+]Cc1cncn1C1CCOCC1 85197245 169227280 /nfs/dbraw/zinc/22/72/80/169227280.db2.gz NKAWMQKOITVMLC-UHFFFAOYSA-N 1 0 181.239 0.693 50 0 ACAARO [NH3+]Cc1cncs1 4771123 169227333 /nfs/dbraw/zinc/22/73/33/169227333.db2.gz XDNQVUAKCAPBIG-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 in-vitro ACAARO Nc1ccncc1C[NH3+] 35570038 169227346 /nfs/dbraw/zinc/22/73/46/169227346.db2.gz XCQPJSGTODTGRN-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1cnc2cnccn12 24550529 169227357 /nfs/dbraw/zinc/22/73/57/169227357.db2.gz ZAFPQELLPHZQTB-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 ACAARO [NH3+]Cc1cncn1C1CC1 49584949 169227452 /nfs/dbraw/zinc/22/74/52/169227452.db2.gz XKXFDQDBERIAIP-UHFFFAOYSA-N 1 0 137.186 0.677 50 0 ACAARO Nc1cncc(C[NH3+])c1 21984993 169227458 /nfs/dbraw/zinc/22/74/58/169227458.db2.gz CTFJYLZAHUEGGO-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1cncc(O)c1 83339432 169227486 /nfs/dbraw/zinc/22/74/86/169227486.db2.gz LXMHSJKKDQCDKN-UHFFFAOYSA-N 1 0 124.143 0.246 50 0 ACAARO [NH3+]Cc1cnc(N2CCOCC2)s1 11760629 169227536 /nfs/dbraw/zinc/22/75/36/169227536.db2.gz NMHAVROYYDYQHN-UHFFFAOYSA-N 1 0 199.279 0.438 50 0 in-vitro ACAARO [NH3+]Cc1cnn2ccccc12 24728134 169227613 /nfs/dbraw/zinc/22/76/13/169227613.db2.gz CUKKPJJAMSZCEC-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO [NH3+]Cc1cncn1CC1CC1 85196018 169227676 /nfs/dbraw/zinc/22/76/76/169227676.db2.gz CQRSIPIGAWWTCG-UHFFFAOYSA-N 1 0 151.213 0.752 50 0 ACAARO Nc1nc(C(F)(F)F)ncc1C[NH3+] 91696091 169227768 /nfs/dbraw/zinc/22/77/68/169227768.db2.gz FVOPNTGTHPIXDT-UHFFFAOYSA-N 1 0 192.144 0.536 50 0 ACAARO [NH3+]Cc1cnn2cccnc12 24728264 169227774 /nfs/dbraw/zinc/22/77/74/169227774.db2.gz FGRZCMUHPMQSAX-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO [NH3+]Cc1cnc2c(c1)OCO2 84309176 169227790 /nfs/dbraw/zinc/22/77/90/169227790.db2.gz VDPUFFKFBGURPO-UHFFFAOYSA-N 1 0 152.153 0.269 50 0 ACAARO [NH3+]Cc1cnn2c1OCCC2 24565316 169227805 /nfs/dbraw/zinc/22/78/05/169227805.db2.gz ZPWOBDAEJKPHQY-UHFFFAOYSA-N 1 0 153.185 0.124 50 0 ACAARO [NH3+]Cc1cnco1 20417399 169227841 /nfs/dbraw/zinc/22/78/41/169227841.db2.gz ZPIDZCBCCUTEEI-UHFFFAOYSA-N 1 0 98.105 0.133 50 0 in-vitro ACAARO [NH3+]Cc1cncc(F)c1 35570028 169227844 /nfs/dbraw/zinc/22/78/44/169227844.db2.gz RYICOVXDBBDCNT-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1cnc(Br)cn1 82391525 169227920 /nfs/dbraw/zinc/22/79/20/169227920.db2.gz FLJGCAZQPNJGEY-UHFFFAOYSA-N 1 0 188.028 0.698 50 0 in-vitro ACAARO [NH3+]Cc1nc(-c2cccnc2)n[nH]1 54363742 169228120 /nfs/dbraw/zinc/22/81/20/169228120.db2.gz WZMHLWGEAUJDGV-UHFFFAOYSA-N 1 0 175.195 0.325 50 0 in-vitro ACAARO [NH3+]Cc1[nH]nc2ncccc12 24553257 169228161 /nfs/dbraw/zinc/22/81/61/169228161.db2.gz RPCRJEFBBHEMAP-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 ACAARO [NH3+]Cc1nc2ccccc2c(=O)[nH]1 19088957 169228212 /nfs/dbraw/zinc/22/82/12/169228212.db2.gz BRVSYHWZXIPJJP-UHFFFAOYSA-N 1 0 175.191 0.382 50 0 in-vitro ACAARO [NH3+]Cc1nc(-c2ccco2)n[nH]1 57218727 169228309 /nfs/dbraw/zinc/22/83/09/169228309.db2.gz UOATXZVHTLNFAB-UHFFFAOYSA-N 1 0 164.168 0.523 50 0 in-vitro ACAARO [NH3+]Cc1nc2c(s1)COCC2 36306285 169228316 /nfs/dbraw/zinc/22/83/16/169228316.db2.gz AWNQOWYGJYYQCI-UHFFFAOYSA-N 1 0 170.237 0.675 50 0 ACAARO [NH3+]Cc1nc(-c2cccs2)n[nH]1 50266233 169228332 /nfs/dbraw/zinc/22/83/32/169228332.db2.gz QAFNFKTZJDFIQV-UHFFFAOYSA-N 1 0 180.236 0.992 50 0 in-vitro ACAARO [NH3+]Cc1csc(N2CCOCC2)n1 20439882 169228346 /nfs/dbraw/zinc/22/83/46/169228346.db2.gz URQKRXGKCDVSGR-UHFFFAOYSA-N 1 0 199.279 0.438 50 0 in-vitro ACAARO [NH3+]Cc1csc2ncnn12 42379509 169228572 /nfs/dbraw/zinc/22/85/72/169228572.db2.gz XPWSONRJGGBKMM-UHFFFAOYSA-N 1 0 154.198 0.250 50 0 ACAARO [NH3+]Cc1cocn1 2527145 169228599 /nfs/dbraw/zinc/22/85/99/169228599.db2.gz ULZXEYFKBUPRQM-UHFFFAOYSA-N 1 0 98.105 0.133 50 0 in-vitro ACAARO [NH3+]Cc1nnc(C2CC2)[nH]1 41058765 169228607 /nfs/dbraw/zinc/22/86/07/169228607.db2.gz SUHPMNZLJYYRLU-UHFFFAOYSA-N 1 0 138.174 0.141 50 0 ACAARO [NH3+]Cc1nc2c([nH]1)CCCC2 95202008 169228707 /nfs/dbraw/zinc/22/87/07/169228707.db2.gz IEFCJVGEAYNCMD-UHFFFAOYSA-N 1 0 151.213 0.747 50 0 ACAARO [NH3+]Cc1[nH]nnc1C1CC1 76573692 169228721 /nfs/dbraw/zinc/22/87/21/169228721.db2.gz CRCHNOTUJRNSPU-UHFFFAOYSA-N 1 0 138.174 0.141 50 0 ACAARO [NH3+]Cc1cscn1 19737028 169228766 /nfs/dbraw/zinc/22/87/66/169228766.db2.gz YFEQTUUFQKDATK-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 in-vitro ACAARO [NH3+]Cc1nc(CO)cs1 39134832 169228782 /nfs/dbraw/zinc/22/87/82/169228782.db2.gz YFTNQZCRJPNJTG-UHFFFAOYSA-N 1 0 144.199 0.094 50 0 in-vitro ACAARO [NH3+]Cc1n[nH]c(=O)c2ccccc12 329849 169228874 /nfs/dbraw/zinc/22/88/74/169228874.db2.gz BCORFYODLSYUNB-UHFFFAOYSA-N 1 0 175.191 0.382 50 0 in-vitro ACAARO [NH3+]Cc1[nH]nc2c1CCCC2 4386572 169228939 /nfs/dbraw/zinc/22/89/39/169228939.db2.gz UNDOPZXTORKIIL-UHFFFAOYSA-N 1 0 151.213 0.747 50 0 in-vitro ACAARO [NH3+]Cc1nc(-c2ccccn2)n[nH]1 61843824 169229003 /nfs/dbraw/zinc/22/90/03/169229003.db2.gz ADERNRNIBQILBJ-UHFFFAOYSA-N 1 0 175.195 0.325 50 0 ACAARO [NH3+]Cc1nnc(-c2ccncc2)[nH]1 19089116 169229176 /nfs/dbraw/zinc/22/91/76/169229176.db2.gz BIZJPAORZHDEEL-UHFFFAOYSA-N 1 0 175.195 0.325 50 0 in-vitro ACAARO [NH3+]Cc1[nH]nc2c1CCC2 19088449 169229271 /nfs/dbraw/zinc/22/92/71/169229271.db2.gz JHFGJFWHCHWKFW-UHFFFAOYSA-N 1 0 137.186 0.357 50 0 in-vitro ACAARO Nc1nc(C[NH3+])cs1 19089080 169229500 /nfs/dbraw/zinc/22/95/00/169229500.db2.gz AXYHVVSEWSUNAI-UHFFFAOYSA-N 1 0 129.188 0.184 50 0 in-vitro ACAARO [NH3+]Cc1nnc(-c2ccccc2)[nH]1 14808439 169229639 /nfs/dbraw/zinc/22/96/39/169229639.db2.gz MMMFKWILXVDBHJ-UHFFFAOYSA-N 1 0 174.207 0.930 50 0 in-vitro ACAARO [NH3+]Cc1nc([C@H]2CCCO2)n[nH]1 72236530 169229681 /nfs/dbraw/zinc/22/96/81/169229681.db2.gz JVTDQMVDMNNHQB-RXMQYKEDSA-N 1 0 168.200 0.115 50 0 ACAARO [NH3+]Cc1nc([C@@H]2CCCO2)n[nH]1 72236531 169229964 /nfs/dbraw/zinc/22/99/64/169229964.db2.gz JVTDQMVDMNNHQB-YFKPBYRVSA-N 1 0 168.200 0.115 50 0 ACAARO [NH3+]Cc1nc(C(F)(F)F)c[nH]1 36870894 169230012 /nfs/dbraw/zinc/23/00/12/169230012.db2.gz KWQCRYJWRRUUOC-UHFFFAOYSA-N 1 0 165.118 0.887 50 0 ACAARO [NH3+]Cc1n[nH]cc1Br 44249223 169230043 /nfs/dbraw/zinc/23/00/43/169230043.db2.gz USLUUBBRVHSRNB-UHFFFAOYSA-N 1 0 176.017 0.631 50 0 ACAARO [NH3+]Cc1nnc(C2CCOCC2)[nH]1 77269745 169230045 /nfs/dbraw/zinc/23/00/45/169230045.db2.gz VQXSKHZPJBCSIZ-UHFFFAOYSA-N 1 0 182.227 0.157 50 0 in-vitro ACAARO [NH3+]Cc1ncc(Br)cn1 64033805 169230165 /nfs/dbraw/zinc/23/01/65/169230165.db2.gz PGHBRKZCXZVOSO-UHFFFAOYSA-N 1 0 188.028 0.698 50 0 in-vitro ACAARO [NH3+]Cc1nccs1 2584866 169230180 /nfs/dbraw/zinc/23/01/80/169230180.db2.gz JOZSYOPADROCMP-UHFFFAOYSA-N 1 0 114.173 0.602 50 0 in-vitro ACAARO [NH3+]Cc1nnc(C2CC2)n1C1CC1 95348191 169230195 /nfs/dbraw/zinc/23/01/95/169230195.db2.gz RJYISRFFNVECTQ-UHFFFAOYSA-N 1 0 178.239 0.949 50 0 in-vitro ACAARO Nc1cccnc1C[NH3+] 39051448 169230279 /nfs/dbraw/zinc/23/02/79/169230279.db2.gz JNMQCKCNKPZZLC-UHFFFAOYSA-N 1 0 123.159 0.123 50 0 in-vitro ACAARO [NH3+]Cc1nccc(C(F)F)n1 212066502 169230346 /nfs/dbraw/zinc/23/03/46/169230346.db2.gz YXROJOOOHOQOTN-UHFFFAOYSA-N 1 0 159.139 0.873 50 0 in-vitro ACAARO [NH3+]Cc1ncccc1F 26894061 169230365 /nfs/dbraw/zinc/23/03/65/169230365.db2.gz QLRSPKRGYAGOEC-UHFFFAOYSA-N 1 0 126.134 0.679 50 0 in-vitro ACAARO [NH3+]Cc1ncc(F)cc1F 44250304 169230387 /nfs/dbraw/zinc/23/03/87/169230387.db2.gz LZJLIHLYNKCNQW-UHFFFAOYSA-N 1 0 144.124 0.819 50 0 in-vitro ACAARO [NH3+]Cc1nccnc1Cl 4202799 169230402 /nfs/dbraw/zinc/23/04/02/169230402.db2.gz PODCTQRYFHFTPT-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 in-vitro ACAARO [NH3+]Cc1nc2cccnc2[nH]1 19752665 169230404 /nfs/dbraw/zinc/23/04/04/169230404.db2.gz XCTNDJAFNBCVOM-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 in-vitro ACAARO [NH3+]Cc1nccc(C(F)(F)F)n1 62701791 169230462 /nfs/dbraw/zinc/23/04/62/169230462.db2.gz OCSRVUPTMKFXGM-UHFFFAOYSA-N 1 0 177.129 0.954 50 0 in-vitro ACAARO [NH3+]Cc1ncnn1-c1ccccc1 98096623 169230604 /nfs/dbraw/zinc/23/06/04/169230604.db2.gz VFQPFVIEQJQURR-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1ncc2c(n1)CCOC2 107456819 169230875 /nfs/dbraw/zinc/23/08/75/169230875.db2.gz MOYCUIKSRJEKPF-UHFFFAOYSA-N 1 0 165.196 0.008 50 0 ACAARO [NH3+]Cc1ncc2ccccn12 20236841 169230951 /nfs/dbraw/zinc/23/09/51/169230951.db2.gz BFUUNGROTVEDIJ-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 ACAARO [NH3+]Cc1nc(-c2ccccn2)c[nH]1 36870912 169231081 /nfs/dbraw/zinc/23/10/81/169231081.db2.gz FSOQUDFNGOHDNN-UHFFFAOYSA-N 1 0 174.207 0.930 50 0 ACAARO [NH3+]Cc1nccc(-c2ccccn2)n1 72233197 169231132 /nfs/dbraw/zinc/23/11/32/169231132.db2.gz SOLPRBGGVKWHIO-UHFFFAOYSA-N 1 0 186.218 0.997 50 0 ACAARO [NH3+]Cc1nccc(-c2ccncc2)n1 72233188 169231144 /nfs/dbraw/zinc/23/11/44/169231144.db2.gz JZBCAWBXKGMPQX-UHFFFAOYSA-N 1 0 186.218 0.997 50 0 ACAARO [NH3+]Cc1ncc2n1CCCC2 82840995 169231217 /nfs/dbraw/zinc/23/12/17/169231217.db2.gz RTNPCGFDOJLINJ-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 ACAARO [NH3+]Cc1ncc(Cl)cn1 39052222 169231220 /nfs/dbraw/zinc/23/12/20/169231220.db2.gz HLLBMNORHOVEHX-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 in-vitro ACAARO [NH3+]Cc1ncc(F)cn1 95635241 169231313 /nfs/dbraw/zinc/23/13/13/169231313.db2.gz FTICWNZYNXHPMQ-UHFFFAOYSA-N 1 0 127.122 0.074 50 0 in-vitro ACAARO [NH3+]Cc1ncc2cc[nH]c2n1 82408770 169231468 /nfs/dbraw/zinc/23/14/68/169231468.db2.gz IQXACNBYZONFFW-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 ACAARO [NH3+]Cc1nccn1CC1CC1 87343276 169231471 /nfs/dbraw/zinc/23/14/71/169231471.db2.gz ZEAZNLAUTKEMMX-UHFFFAOYSA-N 1 0 151.213 0.752 50 0 ACAARO [NH3+]Cc1nc2cc[nH]cc-2n1 26459906 169231561 /nfs/dbraw/zinc/23/15/61/169231561.db2.gz HCRKZBHHMHKSFB-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 ACAARO [NH3+]Cc1ncn2c1CCCC2 24564967 169231564 /nfs/dbraw/zinc/23/15/64/169231564.db2.gz SYAWXJIVHIYBIC-UHFFFAOYSA-N 1 0 151.213 0.678 50 0 ACAARO [NH3+]Cc1nccn1CC(F)(F)F 57218570 169231579 /nfs/dbraw/zinc/23/15/79/169231579.db2.gz SVVDFHVLTVRQGD-UHFFFAOYSA-N 1 0 179.145 0.904 50 0 in-vitro ACAARO [NH3+]Cc1nccc(-c2cccnc2)n1 83276641 169231607 /nfs/dbraw/zinc/23/16/07/169231607.db2.gz XDJOKECLRXZMCF-UHFFFAOYSA-N 1 0 186.218 0.997 50 0 ACAARO [NH3+]Cc1nccn1C(F)F 36804813 169231626 /nfs/dbraw/zinc/23/16/26/169231626.db2.gz RAGHSYAOFYWRGW-UHFFFAOYSA-N 1 0 147.128 0.737 50 0 in-vitro ACAARO [NH3+]Cc1ncnc2[nH]ccc12 89223820 169231700 /nfs/dbraw/zinc/23/17/00/169231700.db2.gz GENSGNBACOVJPX-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 in-vitro ACAARO [NH3+]Cc1nccc(Cl)n1 88187432 169231729 /nfs/dbraw/zinc/23/17/29/169231729.db2.gz QOOOBFRFSANJDY-UHFFFAOYSA-N 1 0 143.577 0.589 50 0 ACAARO [NH3+]Cc1ncc2c(n1)CCC2 59270599 169231755 /nfs/dbraw/zinc/23/17/55/169231755.db2.gz WRCSOYUIEXBTBF-UHFFFAOYSA-N 1 0 149.197 0.424 50 0 in-vitro ACAARO [NH3+]Cc1ncccc1O 20443406 169231765 /nfs/dbraw/zinc/23/17/65/169231765.db2.gz DMFOVOSDFLKXRW-UHFFFAOYSA-N 1 0 124.143 0.246 50 0 in-vitro ACAARO [NH3+]Cc1ncc(C(F)(F)F)cn1 85223455 169231827 /nfs/dbraw/zinc/23/18/27/169231827.db2.gz OIGKBZPONVENGZ-UHFFFAOYSA-N 1 0 177.129 0.954 50 0 in-vitro ACAARO [NH3+]Cc1ncn2ccccc12 24727798 169231846 /nfs/dbraw/zinc/23/18/46/169231846.db2.gz KCMKFQNEDVUKSN-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO [NH3+]Cc1nnc2n1CCCCC2 4205280 169232285 /nfs/dbraw/zinc/23/22/85/169232285.db2.gz IACZAGXWNRNOBU-UHFFFAOYSA-N 1 0 166.228 0.463 50 0 in-vitro ACAARO [NH3+]Cc1nnnn1-c1cccc(F)c1 54744167 169232416 /nfs/dbraw/zinc/23/24/16/169232416.db2.gz NVQJTATWDJFCFY-UHFFFAOYSA-N 1 0 193.185 0.260 50 0 ACAARO [NH3+]Cc1nnc2c(Cl)cccn12 104467511 169232498 /nfs/dbraw/zinc/23/24/98/169232498.db2.gz HIYGVGANGMSGFC-UHFFFAOYSA-N 1 0 182.614 0.841 50 0 in-vitro ACAARO [NH3+]Cc1nnnn1C1CCCCC1 11920051 169232528 /nfs/dbraw/zinc/23/25/28/169232528.db2.gz TULFVVFBFIUMPT-UHFFFAOYSA-N 1 0 181.243 0.637 50 0 ACAARO [NH3+]Cc1nnnn1-c1ccccc1 3866182 169232826 /nfs/dbraw/zinc/23/28/26/169232826.db2.gz FYVSPIVYFAYMIZ-UHFFFAOYSA-N 1 0 175.195 0.121 50 0 in-vitro ACAARO [NH3+]Cc1nnnn1-c1ccc(F)cc1 11920049 169232877 /nfs/dbraw/zinc/23/28/77/169232877.db2.gz IYVSXDNCBCWDOZ-UHFFFAOYSA-N 1 0 193.185 0.260 50 0 ACAARO [NH3+]CC1N=NC(=S)N1C1CC1 57218714 169232915 /nfs/dbraw/zinc/23/29/15/169232915.db2.gz OUWXYTANRQTXTO-UHFFFAOYSA-N 1 0 170.241 0.360 50 0 in-vitro ACAARO [NH3+]Cc1nnc2n1CCCC2 14987983 169232943 /nfs/dbraw/zinc/23/29/43/169232943.db2.gz DKRJNDYSGMPAAB-UHFFFAOYSA-N 1 0 152.201 0.073 50 0 ACAARO [NH3+]Cc1nncn1C1CC1 54498412 169232968 /nfs/dbraw/zinc/23/29/68/169232968.db2.gz FDZAZLVLKYQZNG-UHFFFAOYSA-N 1 0 138.174 0.072 50 0 in-vitro ACAARO [NH3+]Cc1nncn1-c1ccccc1 19482437 169233003 /nfs/dbraw/zinc/23/30/03/169233003.db2.gz CTECDWWQYWVAQO-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 in-vitro ACAARO [NH3+]Cc1nnc2ccccn12 3349709 169233005 /nfs/dbraw/zinc/23/30/05/169233005.db2.gz NXNFOXNYOMPDMW-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO [NH3+]Cc1nnc(Cc2ccccc2)[nH]1 61843811 169233081 /nfs/dbraw/zinc/23/30/81/169233081.db2.gz DUVFXGFUKBGGRF-UHFFFAOYSA-N 1 0 188.234 0.854 50 0 ACAARO [NH3+]Cc1nnc2ccc(Cl)cn12 36240520 169233314 /nfs/dbraw/zinc/23/33/14/169233314.db2.gz ABCDWSDKFMIZDM-UHFFFAOYSA-N 1 0 182.614 0.841 50 0 ACAARO [NH3+]Cc1nnc2ccc(Cl)nn12 66323535 169233350 /nfs/dbraw/zinc/23/33/50/169233350.db2.gz RYFLXHQVAMDHHM-UHFFFAOYSA-N 1 0 183.602 0.236 50 0 ACAARO NN1CC[NH+](Cc2ccccc2)CC1 95617967 169233445 /nfs/dbraw/zinc/23/34/45/169233445.db2.gz SJMJMGVFFRSXOG-UHFFFAOYSA-N 1 0 191.278 0.678 50 0 in-vitro ACAARO NN1CC[NH+](C2CCCC2)CC1 19169040 169233883 /nfs/dbraw/zinc/23/38/83/169233883.db2.gz QYHRIASMJNLWHJ-UHFFFAOYSA-N 1 0 169.272 0.420 50 0 in-vitro ACAARO NNc1ccc(C2CC2)n[nH+]1 54931308 169237389 /nfs/dbraw/zinc/23/73/89/169237389.db2.gz ZAYUKNGGBCPGAI-UHFFFAOYSA-N 1 0 150.185 0.640 50 0 in-vitro ACAARO NNc1cc(F)cc[nH+]1 21987580 169237525 /nfs/dbraw/zinc/23/75/25/169237525.db2.gz YXHAHPFQRQFJLX-UHFFFAOYSA-N 1 0 127.122 0.506 50 0 ACAARO NNc1ccc(F)c[nH+]1 36226165 169237938 /nfs/dbraw/zinc/23/79/38/169237938.db2.gz XGEZFYOWXLYYNM-UHFFFAOYSA-N 1 0 127.122 0.506 50 0 in-vitro ACAARO NN[C@@H]1CC[N@H+](Cc2ccccc2)C1 20596094 169237970 /nfs/dbraw/zinc/23/79/70/169237970.db2.gz RRMYEVSAFFPAEV-LLVKDONJSA-N 1 0 191.278 0.724 50 0 ACAARO NNc1cccc[nH+]1 404420 169238962 /nfs/dbraw/zinc/23/89/62/169238962.db2.gz NWELCUKYUCBVKK-UHFFFAOYSA-N 1 0 109.132 0.367 50 0 in-vitro ACAARO NNc1nc(N2CCCC2)c(F)c[nH+]1 87897233 169239038 /nfs/dbraw/zinc/23/90/38/169239038.db2.gz HVTJAOMGQAKPHS-UHFFFAOYSA-N 1 0 197.217 0.502 50 0 ACAARO NOCC[NH+]1CCCCCC1 19785846 169239406 /nfs/dbraw/zinc/23/94/06/169239406.db2.gz YXOYTZJUAXSUQB-UHFFFAOYSA-N 1 0 158.245 0.753 50 0 ACAARO NNc1n[nH+]c(NN)c2ccccc12 4474539 169239727 /nfs/dbraw/zinc/23/97/27/169239727.db2.gz VQKLRVZQQYVIJW-UHFFFAOYSA-N 1 0 190.210 0.201 50 0 world ACAARO NNc1[nH+]cccc1F 16158483 169239873 /nfs/dbraw/zinc/23/98/73/169239873.db2.gz HXRVAPHVNZCFJM-UHFFFAOYSA-N 1 0 127.122 0.506 50 0 in-vitro ACAARO NNc1nc(N2CCCC2)cc[nH+]1 57352300 169239971 /nfs/dbraw/zinc/23/99/71/169239971.db2.gz WOUOGSWXGXKCNG-UHFFFAOYSA-N 1 0 179.227 0.362 50 0 ACAARO NNc1[nH+]cnc2ccccc12 1849184 169239999 /nfs/dbraw/zinc/23/99/99/169239999.db2.gz QVKNQXCOGYNFPC-UHFFFAOYSA-N 1 0 160.180 0.915 50 0 in-vitro ACAARO NNc1[nH+]ncc2ccccc12 12360535 169240086 /nfs/dbraw/zinc/24/00/86/169240086.db2.gz RPTUSVTUFVMDQK-UHFFFAOYSA-N 1 0 160.180 0.915 50 0 fda ACAARO NOCCC[NH+]1CCCCC1 19785856 169240228 /nfs/dbraw/zinc/24/02/28/169240228.db2.gz MZNXUBVGQOSWEJ-UHFFFAOYSA-N 1 0 158.245 0.753 50 0 ACAARO [NH3+][C@@H](C(=O)NC1CC1)c1ccccc1 19508647 169242274 /nfs/dbraw/zinc/24/22/74/169242274.db2.gz YDRKYIIUDYQOHZ-SNVBAGLBSA-N 1 0 190.246 0.965 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@H]1COCCO1 17764791 169242763 /nfs/dbraw/zinc/24/27/63/169242763.db2.gz CMGDXLIPLTXFAJ-SFYZADRCSA-N 1 0 157.213 0.139 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@@]1(CO)CCCO1 238855183 169243187 /nfs/dbraw/zinc/24/31/87/169243187.db2.gz QRVJLPJGOXCAQV-IUCAKERBSA-N 1 0 171.240 0.265 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@@H]1COCCO1 17764785 169243294 /nfs/dbraw/zinc/24/32/94/169243294.db2.gz CMGDXLIPLTXFAJ-YUMQZZPRSA-N 1 0 157.213 0.139 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@]1(CO)CCCO1 238855182 169243495 /nfs/dbraw/zinc/24/34/95/169243495.db2.gz QRVJLPJGOXCAQV-DTWKUNHWSA-N 1 0 171.240 0.265 50 0 ACAARO [NH3+][C@@H](C1CC1)C1(CO)CCOCC1 242400345 169243647 /nfs/dbraw/zinc/24/36/47/169243647.db2.gz AUZHJJJMLCMGGH-VIFPVBQESA-N 1 0 185.267 0.513 50 0 ACAARO [NH3+][C@@H](CO)CC(F)(F)F 70651518 169244009 /nfs/dbraw/zinc/24/40/09/169244009.db2.gz CYRIDDDXXMMLMU-GSVOUGTGSA-N 1 0 143.108 0.258 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1nccs1 44464320 169244017 /nfs/dbraw/zinc/24/40/17/169244017.db2.gz SVEUUZCWYGJFOV-RXMQYKEDSA-N 1 0 158.226 0.005 50 0 ACAARO [NH3+][C@@H](CCO)C1CCCC1 44233923 169244045 /nfs/dbraw/zinc/24/40/45/169244045.db2.gz PBBDEJVQHJRNTA-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 ACAARO [NH3+][C@@H](CO)CCc1ccccc1 39407656 169244069 /nfs/dbraw/zinc/24/40/69/169244069.db2.gz ZJAOVQMCZKLAKJ-SNVBAGLBSA-N 1 0 165.236 0.939 50 0 ACAARO [NH3+][C@@H](CO)C1CCSCC1 2527674 169244076 /nfs/dbraw/zinc/24/40/76/169244076.db2.gz OIHHYKIZFZQFAV-ZETCQYMHSA-N 1 0 161.270 0.449 50 0 ACAARO [NH3+][C@@H](CO)Cc1ccccc1F 20268023 169244081 /nfs/dbraw/zinc/24/40/81/169244081.db2.gz IPENTXMCVYZOPC-MRVPVSSYSA-N 1 0 169.199 0.688 50 0 ACAARO [NH3+][C@@H](CO)Cc1cccs1 20268002 169244198 /nfs/dbraw/zinc/24/41/98/169244198.db2.gz LKMKVVNGSUXRQB-ZCFIWIBFSA-N 1 0 157.238 0.610 50 0 ACAARO [NH3+][C@@H](CO)CC1CCC1 83842158 169244205 /nfs/dbraw/zinc/24/42/05/169244205.db2.gz YHPORKQFYUJAOK-SSDOTTSWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H](CCO)c1ccc2c(c1)OCO2 4073036 169244217 /nfs/dbraw/zinc/24/42/17/169244217.db2.gz LRXZDIRVMLNWST-QMMMGPOBSA-N 1 0 195.218 0.798 50 0 in-vitro ACAARO [NH3+][C@@H](CO)C1CCC1 34560025 169244291 /nfs/dbraw/zinc/24/42/91/169244291.db2.gz PUBFSGQLWVPDER-LURJTMIESA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1ccc(O)cc1 403179 169244362 /nfs/dbraw/zinc/24/43/62/169244362.db2.gz DBLDQZASZZMNSL-MRVPVSSYSA-N 1 0 167.208 0.254 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1cccc(F)c1 33852987 169244449 /nfs/dbraw/zinc/24/44/49/169244449.db2.gz ZALRUTRFOXROOU-SECBINFHSA-N 1 0 169.199 0.688 50 0 ACAARO [NH3+][C@@H](CO)[C@@H](O)C1CCCCC1 39209136 169244458 /nfs/dbraw/zinc/24/44/58/169244458.db2.gz DKAWCXNITOXQFI-IUCAKERBSA-N 1 0 173.256 0.247 50 0 ACAARO [NH3+][C@@H](CO)Cc1ccc(F)cc1 20268025 169244464 /nfs/dbraw/zinc/24/44/64/169244464.db2.gz NHOCAYQCFORHNF-SECBINFHSA-N 1 0 169.199 0.688 50 0 in-vitro ACAARO [NH3+][C@@H](CCO)Cc1ccccc1 21996230 169244469 /nfs/dbraw/zinc/24/44/69/169244469.db2.gz KWEMFUSXOKYPIZ-JTQLQIEISA-N 1 0 165.236 0.939 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1cncs1 44465423 169244531 /nfs/dbraw/zinc/24/45/31/169244531.db2.gz FRIMRCTZPRCLMW-RXMQYKEDSA-N 1 0 158.226 0.005 50 0 in-vitro ACAARO [NH3+][C@@H](CO)[C@@H](O)c1ccccc1 394590 169244551 /nfs/dbraw/zinc/24/45/51/169244551.db2.gz JUCGVCVPNPBJIG-IUCAKERBSA-N 1 0 167.208 0.040 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1ccccc1 6731959 169244590 /nfs/dbraw/zinc/24/45/90/169244590.db2.gz STVVMTBJNDTZBF-SECBINFHSA-N 1 0 151.209 0.549 50 0 in-vitro,metabolite ACAARO [NH3+][C@@H](CCO)C1CC1 12953590 169244595 /nfs/dbraw/zinc/24/45/95/169244595.db2.gz UELSFEZAVWXJFT-LURJTMIESA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+][C@@H](CO)C[C@@H](O)c1ccccc1 83255096 169244611 /nfs/dbraw/zinc/24/46/11/169244611.db2.gz ACQOCBCVBZQPAR-NXEZZACHSA-N 1 0 181.235 0.430 50 0 in-vitro ACAARO [NH3+][C@@H](CCO)C1CCOCC1 52177669 169244686 /nfs/dbraw/zinc/24/46/86/169244686.db2.gz ODQZHUWSALAAAR-QMMMGPOBSA-N 1 0 159.229 0.123 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1c(F)cccc1F 44463915 169244729 /nfs/dbraw/zinc/24/47/29/169244729.db2.gz PUTYJIUDWFEQCD-ZCFIWIBFSA-N 1 0 187.189 0.827 50 0 ACAARO [NH3+][C@@H](CN1CCOCC1)C1CC1 68893449 169244780 /nfs/dbraw/zinc/24/47/80/169244780.db2.gz QVTRIXCQUMHEDH-VIFPVBQESA-N 1 0 170.256 0.056 50 0 ACAARO [NH3+][C@@H](CO)C[C@H](O)c1ccccc1 83255098 169244798 /nfs/dbraw/zinc/24/47/98/169244798.db2.gz ACQOCBCVBZQPAR-ZJUUUORDSA-N 1 0 181.235 0.430 50 0 in-vitro ACAARO [NH3+][C@@H](CO)Cc1ccc(F)cc1F 21985595 169244802 /nfs/dbraw/zinc/24/48/02/169244802.db2.gz ZHGQLWQGUPOTAI-MRVPVSSYSA-N 1 0 187.189 0.827 50 0 ACAARO [NH3+][C@@H](CO)COCc1ccccc1 4977740 169244834 /nfs/dbraw/zinc/24/48/34/169244834.db2.gz ZJUOMDNENVWMPL-JTQLQIEISA-N 1 0 181.235 0.523 50 0 in-vitro ACAARO [NH3+][C@@H](CCO)c1ccncc1 8701054 169244841 /nfs/dbraw/zinc/24/48/41/169244841.db2.gz OPSDHGDMFGAHPA-QMMMGPOBSA-N 1 0 152.197 0.464 50 0 ACAARO [NH3+][C@@H](CCO)c1cncs1 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141.170 0.662 50 0 in-vitro ACAARO [NH3+][C@@H](CO)c1cccc(O)c1 38124678 169245269 /nfs/dbraw/zinc/24/52/69/169245269.db2.gz CMKYFDIMOOWZGH-QMMMGPOBSA-N 1 0 153.181 0.384 50 0 ACAARO [NH3+][C@@H](CO)c1nc2ccccc2[nH]1 19403050 169245431 /nfs/dbraw/zinc/24/54/31/169245431.db2.gz ZLKMHBJACFTDJS-LURJTMIESA-N 1 0 177.207 0.555 50 0 ACAARO [NH3+][C@@H](CO)c1ccc(F)cc1 34384614 169245466 /nfs/dbraw/zinc/24/54/66/169245466.db2.gz SRQPEYLZIUEVIA-QMMMGPOBSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+][C@@H](CO)c1ncc(F)cc1F 85224049 169245472 /nfs/dbraw/zinc/24/54/72/169245472.db2.gz AMGQRACZJQQGIM-LURJTMIESA-N 1 0 174.150 0.352 50 0 ACAARO [NH3+][C@@H](CO)c1ccccc1 6731691 169245501 /nfs/dbraw/zinc/24/55/01/169245501.db2.gz IJXJGQCXFSSHNL-QMMMGPOBSA-N 1 0 137.182 0.679 50 0 in-vitro ACAARO [NH3+][C@@H](CO)c1ccncc1 39050024 169245527 /nfs/dbraw/zinc/24/55/27/169245527.db2.gz UJQNMMGJHWLZID-ZETCQYMHSA-N 1 0 138.170 0.074 50 0 ACAARO [NH3+][C@@H](CO)c1ccc(F)cc1F 36949542 169245529 /nfs/dbraw/zinc/24/55/29/169245529.db2.gz QILCOZXXFOLWRN-QMMMGPOBSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@@H](CO)c1ccc(F)c(F)c1 36949544 169245556 /nfs/dbraw/zinc/24/55/56/169245556.db2.gz ONJNHFPGJRBNQM-QMMMGPOBSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@@H](CO)c1ccc(O)cc1 38124680 169245558 /nfs/dbraw/zinc/24/55/58/169245558.db2.gz WKMNUYYJVXICFJ-QMMMGPOBSA-N 1 0 153.181 0.384 50 0 ACAARO [NH3+][C@@H](CO)[C@H](O)c1ccccc1 394591 169245611 /nfs/dbraw/zinc/24/56/11/169245611.db2.gz JUCGVCVPNPBJIG-DTWKUNHWSA-N 1 0 167.208 0.040 50 0 ACAARO [NH3+][C@@H](CO)c1cc(F)ccc1F 36379847 169245757 /nfs/dbraw/zinc/24/57/57/169245757.db2.gz MEFNBXBWLCZHCA-QMMMGPOBSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@@H](CO)c1ccccn1 39050028 169245935 /nfs/dbraw/zinc/24/59/35/169245935.db2.gz QHWDUHWJQCQQSH-LURJTMIESA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+][C@@H](CO)c1cccc(F)c1F 72197363 169245959 /nfs/dbraw/zinc/24/59/59/169245959.db2.gz QVPLGRFDOCDVNE-ZETCQYMHSA-N 1 0 173.162 0.957 50 0 ACAARO 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185.267 0.655 50 0 in-vitro ACAARO [NH3+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 238850409 169248566 /nfs/dbraw/zinc/24/85/66/169248566.db2.gz BJGWXWGZHURERG-BDAKNGLRSA-N 1 0 185.267 0.655 50 0 in-vitro ACAARO [NH3+][C@@H]1C(=O)NCc2ccccc21 82046676 169248984 /nfs/dbraw/zinc/24/89/84/169248984.db2.gz PRVYXGQGPCTVJF-QMMMGPOBSA-N 1 0 162.192 0.316 50 0 ACAARO [NH3+][C@@H](c1ncccn1)C1CC1 17787192 169249175 /nfs/dbraw/zinc/24/91/75/169249175.db2.gz KRYJBWYSJJZBFV-SSDOTTSWSA-N 1 0 149.197 0.886 50 0 ACAARO [NH3+][C@@H](c1ncon1)C1CC1 41047645 169249220 /nfs/dbraw/zinc/24/92/20/169249220.db2.gz VPUBNZIFLGVJLV-RXMQYKEDSA-N 1 0 139.158 0.479 50 0 ACAARO [NH3+][C@@H]1CC(=O)N(CC(F)(F)F)C1 35679811 169250183 /nfs/dbraw/zinc/25/01/83/169250183.db2.gz KNHGCHDBFYADSW-SCSAIBSYSA-N 1 0 182.145 0.108 50 0 in-vitro ACAARO [NH3+][C@@H]1C=CCC1 34080613 169250277 /nfs/dbraw/zinc/25/02/77/169250277.db2.gz VSYCRDXNSAXDIU-RXMQYKEDSA-N 1 0 83.134 0.664 50 0 ACAARO [NH3+][C@@H]1CCC1(F)F 57219011 169250415 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/nfs/dbraw/zinc/25/11/67/169251167.db2.gz AGGSGTDKCCRCNB-ZCFIWIBFSA-N 1 0 127.187 0.847 50 0 in-vitro ACAARO [NH3+][C@@H]1CC(=O)N(C2CCCCC2)C1 20275017 169251214 /nfs/dbraw/zinc/25/12/14/169251214.db2.gz KBEMXFCEFKMIBX-MRVPVSSYSA-N 1 0 182.267 0.879 50 0 in-vitro ACAARO [NH3+][C@@H]1CC(=O)Nc2ccccc2C1 21984906 169251238 /nfs/dbraw/zinc/25/12/38/169251238.db2.gz SLOYJNVWCPTJLN-QMMMGPOBSA-N 1 0 176.219 0.899 50 0 ACAARO [NH3+][C@@H]1CC=CC[C@@H]1CO 12953414 169251244 /nfs/dbraw/zinc/25/12/44/169251244.db2.gz SZLMSKCXLLFJEI-RNFRBKRXSA-N 1 0 127.187 0.272 50 0 ACAARO [NH3+][C@@H]1CCCC1=O 1634144 169251276 /nfs/dbraw/zinc/25/12/76/169251276.db2.gz XBPWUNNYJOLFGX-SCSAIBSYSA-N 1 0 99.133 0.067 50 0 in-vitro ACAARO N[C@@H]1CC2CC[NH+](CC2)C1 39078739 169251284 /nfs/dbraw/zinc/25/12/84/169251284.db2.gz UALFYMMGEYDHHJ-MRVPVSSYSA-N 1 0 140.230 0.429 50 0 ACAARO [NH3+][C@@H]1CCCC(F)(F)[C@H]1O 116864075 169251306 /nfs/dbraw/zinc/25/13/06/169251306.db2.gz YELVGYMNGIHCKI-UHNVWZDZSA-N 1 0 151.156 0.494 50 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/nfs/dbraw/zinc/25/16/68/169251668.db2.gz VMTDISKAQUTKLX-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCN(C(=O)N2CCCC2)C1 85961282 169251677 /nfs/dbraw/zinc/25/16/77/169251677.db2.gz AJBYMVBLVMTYAE-SECBINFHSA-N 1 0 197.282 0.625 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCC[C@H]1CO 4262061 169251718 /nfs/dbraw/zinc/25/17/18/169251718.db2.gz GCWPGEWXYDEQAY-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCSC1 34207091 169251836 /nfs/dbraw/zinc/25/18/36/169251836.db2.gz RRYVQPYROGYYSM-RXMQYKEDSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCC[C@@H]1O 152726 169251934 /nfs/dbraw/zinc/25/19/34/169251934.db2.gz PQMCFTMVQORYJC-RITPCOANSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCC[C@H]1O 152724 169252067 /nfs/dbraw/zinc/25/20/67/169252067.db2.gz PQMCFTMVQORYJC-PHDIDXHHSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCN(CCF)C1 87776573 169252087 /nfs/dbraw/zinc/25/20/87/169252087.db2.gz RZCRIYWIMDHDKZ-SSDOTTSWSA-N 1 0 146.209 0.379 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCC[C@@H]1CO 38874770 169252146 /nfs/dbraw/zinc/25/21/46/169252146.db2.gz GCWPGEWXYDEQAY-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CC2)C1 19408193 169252163 /nfs/dbraw/zinc/25/21/63/169252163.db2.gz WDYXBLPHHBBKKQ-HTQZYQBOSA-N 1 0 182.267 0.783 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCN(C(=O)CC2CC2)C1 49731513 169252197 /nfs/dbraw/zinc/25/21/97/169252197.db2.gz VNHNKJIZKRQULJ-SECBINFHSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@@H]1CCCN(CC(F)F)C1 41030067 169252221 /nfs/dbraw/zinc/25/22/21/169252221.db2.gz KSQSIVCPTDXLEO-ZCFIWIBFSA-N 1 0 164.199 0.675 50 0 ACAARO [NH3+][C@@H]1CCCCC[C@@H]1CO 4202838 169252233 /nfs/dbraw/zinc/25/22/33/169252233.db2.gz VMTDISKAQUTKLX-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCOCC1 82411718 169252247 /nfs/dbraw/zinc/25/22/47/169252247.db2.gz JWKWKYIUVWBSCM-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCOC1 4344062 169252267 /nfs/dbraw/zinc/25/22/67/169252267.db2.gz WUUOEJJGRCQGBQ-RXMQYKEDSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCC[C@@H]1N1CCOCC1 19278700 169252423 /nfs/dbraw/zinc/25/24/23/169252423.db2.gz ZRAFIVNWDABKOL-ZJUUUORDSA-N 1 0 184.283 0.589 50 0 ACAARO [NH3+][C@@H]1CCCN(CC(F)(F)F)C1=O 70062169 169252502 /nfs/dbraw/zinc/25/25/02/169252502.db2.gz OVZICQHZJDXMHT-RXMQYKEDSA-N 1 0 196.172 0.498 50 0 ACAARO [NH3+][C@@H]1CCCC[C@H]1N1CCOCC1 19278704 169252554 /nfs/dbraw/zinc/25/25/54/169252554.db2.gz ZRAFIVNWDABKOL-NXEZZACHSA-N 1 0 184.283 0.589 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCN2CCCC[C@@H]12 75541976 169252575 /nfs/dbraw/zinc/25/25/75/169252575.db2.gz SHDAASRRPFQHIB-BDAKNGLRSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCc2nccnc21 20973716 169252721 /nfs/dbraw/zinc/25/27/21/169252721.db2.gz ABSBOMCIPXOKJL-ZCFIWIBFSA-N 1 0 149.197 0.813 50 0 ACAARO [NH3+][C@@H]1CCC[C@@H]2OCC[C@H]21 216453147 169252825 /nfs/dbraw/zinc/25/28/25/169252825.db2.gz RPBKHWWRNPJZLF-RNJXMRFFSA-N 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[NH3+][C@@H]1CCC[C@@H](O)C1 12953610 169252970 /nfs/dbraw/zinc/25/29/70/169252970.db2.gz NIQIPYGXPZUDDP-PHDIDXHHSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H]1N1CCOCC1 22002035 169252990 /nfs/dbraw/zinc/25/29/90/169252990.db2.gz FBNNRVHRAAGBMX-BDAKNGLRSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@@H]1CCC[C@@H]1N1CCC(O)CC1 40431190 169253075 /nfs/dbraw/zinc/25/30/75/169253075.db2.gz YLYKJTJBPJRUIL-ZJUUUORDSA-N 1 0 184.283 0.323 50 0 ACAARO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC2)C1 19408197 169253107 /nfs/dbraw/zinc/25/31/07/169253107.db2.gz WDYXBLPHHBBKKQ-JGVFFNPUSA-N 1 0 182.267 0.783 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H]1F 66351535 169253128 /nfs/dbraw/zinc/25/31/28/169253128.db2.gz SYDPJQJXMGPZQF-CRCLSJGQSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@H]1n1cccn1 23066149 169253136 /nfs/dbraw/zinc/25/31/36/169253136.db2.gz XCWOTGSIHOKYLF-HTQZYQBOSA-N 1 0 151.213 0.935 50 0 ACAARO [NH3+][C@@H]1CCC[C@H]1N1CCC(O)CC1 40431186 169253221 /nfs/dbraw/zinc/25/32/21/169253221.db2.gz YLYKJTJBPJRUIL-NXEZZACHSA-N 1 0 184.283 0.323 50 0 ACAARO [NH3+][C@@H]1CCC[C@H]2OCC[C@@H]12 75772191 169253263 /nfs/dbraw/zinc/25/32/63/169253263.db2.gz RPBKHWWRNPJZLF-XLPZGREQSA-N 1 0 141.214 0.903 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCc2[nH]c(=O)ccc21 4863521 169253271 /nfs/dbraw/zinc/25/32/71/169253271.db2.gz CEXVAVXEVFFVEE-SSDOTTSWSA-N 1 0 164.208 0.711 50 0 ACAARO [NH3+][C@@H]1CCCc2ncncc21 20972226 169253393 /nfs/dbraw/zinc/25/33/93/169253393.db2.gz OLEKZIFNAAPGCI-SSDOTTSWSA-N 1 0 149.197 0.813 50 0 ACAARO [NH3+][C@@H]1CCC[C@H](N2CCCC2=O)C1 19421944 169253400 /nfs/dbraw/zinc/25/34/00/169253400.db2.gz GSLLESQEEKEBHP-BDAKNGLRSA-N 1 0 182.267 0.879 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@H](CO)C1 83428632 169253402 /nfs/dbraw/zinc/25/34/02/169253402.db2.gz DFMNUVOZLQPWTG-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@H]1N1CCOCC1 22002041 169253403 /nfs/dbraw/zinc/25/34/03/169253403.db2.gz FBNNRVHRAAGBMX-RKDXNWHRSA-N 1 0 170.256 0.198 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@H]1CCO 95884026 169253468 /nfs/dbraw/zinc/25/34/68/169253468.db2.gz ORYSLNLONJQCSR-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H]1CCO 95884025 169253492 /nfs/dbraw/zinc/25/34/92/169253492.db2.gz ORYSLNLONJQCSR-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 19421940 169253494 /nfs/dbraw/zinc/25/34/94/169253494.db2.gz GSLLESQEEKEBHP-RKDXNWHRSA-N 1 0 182.267 0.879 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H]1CO 34077853 169253567 /nfs/dbraw/zinc/25/35/67/169253567.db2.gz JFLVVCGMJYMWML-PHDIDXHHSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@H]1F 66351534 169253586 /nfs/dbraw/zinc/25/35/86/169253586.db2.gz SYDPJQJXMGPZQF-RFZPGFLSSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCc2n[nH]cc21 20439228 169253633 /nfs/dbraw/zinc/25/36/33/169253633.db2.gz RMKSYSZDGNFLNL-ZCFIWIBFSA-N 1 0 137.186 0.746 50 0 ACAARO [NH3+][C@@H]1CCCc2c1cnn2CCO 32628019 169253672 /nfs/dbraw/zinc/25/36/72/169253672.db2.gz HCBVNRIFWSZMKU-MRVPVSSYSA-N 1 0 181.239 0.212 50 0 in-vitro ACAARO [NH3+][C@@H]1CCOc2c(F)cccc2[C@@H]1O 62567979 169253771 /nfs/dbraw/zinc/25/37/71/169253771.db2.gz SBZXBOKIPOOYQS-BDAKNGLRSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@@H]1CCOc2ccc(F)cc2[C@H]1O 62567982 169253778 /nfs/dbraw/zinc/25/37/78/169253778.db2.gz NKPAXIGUBQQRNG-PSASIEDQSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@@H]1CCO[C@H]1c1ccncc1 238850964 169253785 /nfs/dbraw/zinc/25/37/85/169253785.db2.gz DNJJXTGHLCEGKC-BDAKNGLRSA-N 1 0 164.208 0.870 50 0 ACAARO [NH3+][C@@H]1CCN(C(=O)C2CCC2)C1 50228397 169253800 /nfs/dbraw/zinc/25/38/00/169253800.db2.gz CEDPCEYWZRPPMW-MRVPVSSYSA-N 1 0 168.240 0.346 50 0 ACAARO [NH3+][C@@H]1CCN(Cc2cccnc2)C1 19796075 169253837 /nfs/dbraw/zinc/25/38/37/169253837.db2.gz IILGAEIUCGHFMZ-SNVBAGLBSA-N 1 0 177.251 0.615 50 0 ACAARO [NH3+][C@@H]1CCN(CC(F)(F)F)C1 37241316 169253844 /nfs/dbraw/zinc/25/38/44/169253844.db2.gz NSCLPIBLZPOZRN-RXMQYKEDSA-N 1 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/nfs/dbraw/zinc/25/40/88/169254088.db2.gz WWZAQUJXWBZQLQ-MRVPVSSYSA-N 1 0 140.230 0.429 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(C(=O)C2CCCC2)C1 50228399 169254106 /nfs/dbraw/zinc/25/41/06/169254106.db2.gz AWEKFLBBQMOTJB-SECBINFHSA-N 1 0 182.267 0.736 50 0 ACAARO N[C@@H]1CC[N@H+](CC2CCOCC2)C1 52174690 169254164 /nfs/dbraw/zinc/25/41/64/169254164.db2.gz KEACVSCSNAGWGQ-SNVBAGLBSA-N 1 0 184.283 0.446 50 0 ACAARO [NH3+][C@@H]1CCN(C(=O)c2ccncc2)C1 50228617 169254179 /nfs/dbraw/zinc/25/41/79/169254179.db2.gz WXJSBXUTAKFEAK-SECBINFHSA-N 1 0 191.234 0.255 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2ccccc2F)C1=O 49647674 169254193 /nfs/dbraw/zinc/25/41/93/169254193.db2.gz REJOBELTJRWSNH-MRVPVSSYSA-N 1 0 194.209 0.890 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCn2ncnc21 34451073 169254220 /nfs/dbraw/zinc/25/42/20/169254220.db2.gz NWSSXLAQFDGEDT-RXMQYKEDSA-N 1 0 138.174 0.072 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(C2CCC2)C1 52210725 169254254 /nfs/dbraw/zinc/25/42/54/169254254.db2.gz CBUJLUQYQRTKEF-SSDOTTSWSA-N 1 0 140.230 0.572 50 0 ACAARO [NH3+][C@@H]1CCO[C@@]2(CCSC2)C1 82163903 169254266 /nfs/dbraw/zinc/25/42/66/169254266.db2.gz ICDSYTUJXHDOSO-SFYZADRCSA-N 1 0 173.281 1.000 50 0 in-vitro ACAARO N[C@@H]1CC[N@@H+](C2CCOCC2)C1 36319878 169254351 /nfs/dbraw/zinc/25/43/51/169254351.db2.gz ZFQDRISFVOYKQU-MRVPVSSYSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@@H]1CCOC2(CCOCC2)C1 67425198 169254528 /nfs/dbraw/zinc/25/45/28/169254528.db2.gz PJWRZNHJMHNNFJ-MRVPVSSYSA-N 1 0 171.240 0.673 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2ccccn2)C1 31992584 169254577 /nfs/dbraw/zinc/25/45/77/169254577.db2.gz WGDHXHKTNGOFPW-MRVPVSSYSA-N 1 0 163.224 0.619 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(C(=O)c2ccccn2)C1 50228611 169254585 /nfs/dbraw/zinc/25/45/85/169254585.db2.gz GOJYQFWQFJESHS-MRVPVSSYSA-N 1 0 191.234 0.255 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(C(=O)C(F)(F)F)C1 39054959 169254589 /nfs/dbraw/zinc/25/45/89/169254589.db2.gz ZTUXUCVZUZQGGS-SCSAIBSYSA-N 1 0 182.145 0.108 50 0 ACAARO [NH3+][C@@H]1CCN(c2ncccc2F)C1 54701039 169254653 /nfs/dbraw/zinc/25/46/53/169254653.db2.gz JYGCHOOXGOBFDS-SSDOTTSWSA-N 1 0 181.214 0.758 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2cnccn2)C1 50244245 169254689 /nfs/dbraw/zinc/25/46/89/169254689.db2.gz FIXFLWTURNAYBE-SSDOTTSWSA-N 1 0 164.212 0.014 50 0 ACAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2)C1 39126425 169254698 /nfs/dbraw/zinc/25/46/98/169254698.db2.gz GOCPFGTXVLZUDQ-SNVBAGLBSA-N 1 0 190.246 0.860 50 0 in-vitro ACAARO [NH3+][C@@H]1CCCn2ccnc21 72206522 169254726 /nfs/dbraw/zinc/25/47/26/169254726.db2.gz NOMQPDVXZMLJID-ZCFIWIBFSA-N 1 0 137.186 0.677 50 0 ACAARO [NH3+][C@@H]1CCN(C2CCC2)C1=O 52210825 169254771 /nfs/dbraw/zinc/25/47/71/169254771.db2.gz NFXVNCVSBQVVEC-SSDOTTSWSA-N 1 0 154.213 0.099 50 0 ACAARO [NH3+][C@@H]1CCN(c2ncccn2)C1 45949432 169254779 /nfs/dbraw/zinc/25/47/79/169254779.db2.gz JHXYAXSRWKFHEG-SSDOTTSWSA-N 1 0 164.212 0.014 50 0 in-vitro ACAARO [NH3+][C@@H]1CCOc2c(F)cccc2[C@H]1O 62567966 169254799 /nfs/dbraw/zinc/25/47/99/169254799.db2.gz SBZXBOKIPOOYQS-RKDXNWHRSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@@H]1CCOC[C@H]1F 95670844 169254810 /nfs/dbraw/zinc/25/48/10/169254810.db2.gz RTWSYKYQHQVELW-RFZPGFLSSA-N 1 0 119.139 0.072 50 0 ACAARO [NH3+][C@@H]1CCOC[C@H]1N1CCCC1 36305163 169254817 /nfs/dbraw/zinc/25/48/17/169254817.db2.gz RFMIKYYMIRHJKS-RKDXNWHRSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@@H]1CCN(c2cccnc2)C1 31992588 169254829 /nfs/dbraw/zinc/25/48/29/169254829.db2.gz LVGMMVAWLISWJD-MRVPVSSYSA-N 1 0 163.224 0.619 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(C(=O)c2cccnc2)C1 50228625 169254862 /nfs/dbraw/zinc/25/48/62/169254862.db2.gz KJVNTKMFHUJTAV-SECBINFHSA-N 1 0 191.234 0.255 50 0 ACAARO [NH3+][C@@H]1CCN(C2CCCCC2)C1=O 49647782 169254868 /nfs/dbraw/zinc/25/48/68/169254868.db2.gz WNTMZKQPIVYBPZ-SECBINFHSA-N 1 0 182.267 0.879 50 0 ACAARO [NH3+][C@@H]1CCN(c2ccncn2)C1 50244310 169254928 /nfs/dbraw/zinc/25/49/28/169254928.db2.gz IHRBTOHSCXESQA-SSDOTTSWSA-N 1 0 164.212 0.014 50 0 ACAARO N[C@@H]1CC[N@@H+](C2CCCC2)C1 31996466 169254930 /nfs/dbraw/zinc/25/49/30/169254930.db2.gz MKSRQKFKDYWWBT-MRVPVSSYSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2ccccc2)C1=O 33852461 169254958 /nfs/dbraw/zinc/25/49/58/169254958.db2.gz CLKQZOVQZNETMH-SECBINFHSA-N 1 0 176.219 0.751 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2ccc(F)cc2)C1=O 6093020 169254990 /nfs/dbraw/zinc/25/49/90/169254990.db2.gz LSAHUFPNCNCJLX-SECBINFHSA-N 1 0 194.209 0.890 50 0 in-vitro ACAARO [NH3+][C@@H]1CCOC[C@@H]1F 95670843 169255012 /nfs/dbraw/zinc/25/50/12/169255012.db2.gz RTWSYKYQHQVELW-CRCLSJGQSA-N 1 0 119.139 0.072 50 0 ACAARO [NH3+][C@@H]1CCCn2cnnc21 72206520 169255064 /nfs/dbraw/zinc/25/50/64/169255064.db2.gz ZMBQWCQPPNIAJC-RXMQYKEDSA-N 1 0 138.174 0.072 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(CC(F)F)C1 50242846 169255074 /nfs/dbraw/zinc/25/50/74/169255074.db2.gz STFHSLYWFPMOHR-RXMQYKEDSA-N 1 0 150.172 0.285 50 0 ACAARO [NH3+][C@@H]1CCN(Cc2ccccc2)C1=O 38284276 169255095 /nfs/dbraw/zinc/25/50/95/169255095.db2.gz PYQJCASYSZKDLN-SNVBAGLBSA-N 1 0 190.246 0.746 50 0 in-vitro ACAARO [NH3+][C@@H]1CCN(c2cccnn2)C1 52831592 169255105 /nfs/dbraw/zinc/25/51/05/169255105.db2.gz QBPPEHPPMKICPN-SSDOTTSWSA-N 1 0 164.212 0.014 50 0 ACAARO [NH3+][C@@H]1CCOc2ccc(F)cc2[C@@H]1O 62567980 169255117 /nfs/dbraw/zinc/25/51/17/169255117.db2.gz NKPAXIGUBQQRNG-SCZZXKLOSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@@H]1CCN(CC(F)(F)F)C1=O 49647579 169255120 /nfs/dbraw/zinc/25/51/20/169255120.db2.gz TWVHINYORFLENM-SCSAIBSYSA-N 1 0 182.145 0.108 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@@H](C(F)(F)F)NC1=O 32628953 169255186 /nfs/dbraw/zinc/25/51/86/169255186.db2.gz VJRHPNDTTZGATG-DMTCNVIQSA-N 1 0 182.145 0.155 50 0 ACAARO [NH3+][C@@H]1CCOc2ccccc2[C@H]1O 34519115 169255263 /nfs/dbraw/zinc/25/52/63/169255263.db2.gz YRMMRFYPKHSIDT-PSASIEDQSA-N 1 0 179.219 0.830 50 0 ACAARO [NH3+][C@@H]1CC[C@@H](F)C1 88611430 169255323 /nfs/dbraw/zinc/25/53/23/169255323.db2.gz YEPOLBBUNYSRBS-RFZPGFLSSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC2)C1 85008803 169255348 /nfs/dbraw/zinc/25/53/48/169255348.db2.gz SAEUPIMIRKHBCD-RKDXNWHRSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@@H]1CCc2c[nH]nc2C1 18560336 169255411 /nfs/dbraw/zinc/25/54/11/169255411.db2.gz LIDRLTJNPRPOFD-ZCFIWIBFSA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 57218927 169255459 /nfs/dbraw/zinc/25/54/59/169255459.db2.gz AYCCOAABGNCNAQ-UHNVWZDZSA-N 1 0 169.146 0.791 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@H](C(=O)NC2CC2)CC1 263624509 169255567 /nfs/dbraw/zinc/25/55/67/169255567.db2.gz RELJROMMAKSPDV-ZKCHVHJHSA-N 1 0 182.267 0.783 50 0 ACAARO [NH3+][C@@H]1CCOc2cccnc21 20974560 169255598 /nfs/dbraw/zinc/25/55/98/169255598.db2.gz WBEVIMZYSNHMAN-ZCFIWIBFSA-N 1 0 150.181 0.864 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@@H]2C[C@H]12 101343787 169255631 /nfs/dbraw/zinc/25/56/31/169255631.db2.gz PVXPMXRWNGMGRF-NGJCXOISSA-N 1 0 97.161 0.744 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@H](F)C1 77292605 169255643 /nfs/dbraw/zinc/25/56/43/169255643.db2.gz YEPOLBBUNYSRBS-CRCLSJGQSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@](O)(C(F)(F)F)C1 57218926 169255791 /nfs/dbraw/zinc/25/57/91/169255791.db2.gz AYCCOAABGNCNAQ-RFZPGFLSSA-N 1 0 169.146 0.791 50 0 in-vitro ACAARO [NH3+][C@@H]1CCS(=O)(=O)c2ccccc21 54967520 169255930 /nfs/dbraw/zinc/25/59/30/169255930.db2.gz AGQPICIMOSZNKU-MRVPVSSYSA-N 1 0 197.259 0.864 50 0 ACAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC2)C1 85008805 169256006 /nfs/dbraw/zinc/25/60/06/169256006.db2.gz SAEUPIMIRKHBCD-DTWKUNHWSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@@H]1CC[C@@H](N2CCOCC2)C1 71496557 169256012 /nfs/dbraw/zinc/25/60/12/169256012.db2.gz ZNWJKNHRXMWQRB-RKDXNWHRSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@@H]1CCSC1 19090215 169256032 /nfs/dbraw/zinc/25/60/32/169256032.db2.gz GBNRIMMKLMTDLW-SCSAIBSYSA-N 1 0 103.190 0.451 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@H](N2CCOCC2)C1 71496555 169256049 /nfs/dbraw/zinc/25/60/49/169256049.db2.gz ZNWJKNHRXMWQRB-BDAKNGLRSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@H]1CC[C@@H](O)CC1 100005118 169256083 /nfs/dbraw/zinc/25/60/83/169256083.db2.gz IMLXLGZJLAOKJN-IZLXSQMJSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@@H]1CCOc2ccccc2[C@@H]1O 26729526 169256130 /nfs/dbraw/zinc/25/61/30/169256130.db2.gz YRMMRFYPKHSIDT-SCZZXKLOSA-N 1 0 179.219 0.830 50 0 ACAARO [NH3+][C@@H]1CC[C@H]2C[C@H]21 3621591 169256146 /nfs/dbraw/zinc/25/61/46/169256146.db2.gz PVXPMXRWNGMGRF-KVQBGUIXSA-N 1 0 97.161 0.744 50 0 in-vitro ACAARO [NH3+][C@@H]1CC[C@H](C(F)(F)F)NC1=O 32628956 169256171 /nfs/dbraw/zinc/25/61/71/169256171.db2.gz VJRHPNDTTZGATG-QWWZWVQMSA-N 1 0 182.145 0.155 50 0 ACAARO [NH3+][C@@H]1CN(c2ccccc2)C1=O 45823770 169256326 /nfs/dbraw/zinc/25/63/26/169256326.db2.gz YUJJTFVMOLATBS-MRVPVSSYSA-N 1 0 162.192 0.361 50 0 in-vitro ACAARO [NH3+][C@@H]1CCn2ccnc21 39073678 169256338 /nfs/dbraw/zinc/25/63/38/169256338.db2.gz RNQMYFYTUSXCRX-RXMQYKEDSA-N 1 0 123.159 0.287 50 0 in-vitro ACAARO [NH3+][C@@H]1CCn2nccc2C1 18558509 169256348 /nfs/dbraw/zinc/25/63/48/169256348.db2.gz JJNXSQRHVCZLAK-ZCFIWIBFSA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@@H]1CO[C@H]2CCCC[C@@H]12 25876245 169256380 /nfs/dbraw/zinc/25/63/80/169256380.db2.gz FYMJEFWEIOLRER-RNJXMRFFSA-N 1 0 141.214 0.903 50 0 ACAARO [NH3+][C@@H]1CCn2cncc21 39073663 169256431 /nfs/dbraw/zinc/25/64/31/169256431.db2.gz XABPGCSJFAIKRZ-RXMQYKEDSA-N 1 0 123.159 0.287 50 0 ACAARO [NH3+][C@@H]1CCc2sccc2NC1=O 95347992 169256516 /nfs/dbraw/zinc/25/65/16/169256516.db2.gz WXHZHKVGSYYDGJ-RXMQYKEDSA-N 1 0 182.248 0.960 50 0 in-vitro ACAARO [NH3+][C@@H]1CO[C@@H]2CCCC[C@H]12 225520943 169256540 /nfs/dbraw/zinc/25/65/40/169256540.db2.gz FYMJEFWEIOLRER-BWZBUEFSSA-N 1 0 141.214 0.903 50 0 ACAARO [NH3+][C@@H]1CCc2nc[nH]c2C1 5116804 169256561 /nfs/dbraw/zinc/25/65/61/169256561.db2.gz XPJLVDOGXOROPC-RXMQYKEDSA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2nccn2C1 18554783 169256573 /nfs/dbraw/zinc/25/65/73/169256573.db2.gz DMGFKLHPPROGNY-ZCFIWIBFSA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO N[C@@H]1CS(=O)(=O)c2ccccc21 35688028 169256628 /nfs/dbraw/zinc/25/66/28/169256628.db2.gz HKQBTGLZBNDHLG-SSDOTTSWSA-N 1 0 183.232 0.474 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2ccccc2NC1=O 4202642 169256638 /nfs/dbraw/zinc/25/66/38/169256638.db2.gz AUAKXRGQXZRTQC-MRVPVSSYSA-N 1 0 176.219 0.899 50 0 in-vitro ACAARO [NH3+][C@@H]1CNCc2ccccc21 20971893 169256726 /nfs/dbraw/zinc/25/67/26/169256726.db2.gz NMDRYJXTOWQUBS-SECBINFHSA-N 1 0 148.209 0.790 50 0 ACAARO [NH3+][C@@H]1CN(c2ccc(F)cc2)C1=O 95347874 169256769 /nfs/dbraw/zinc/25/67/69/169256769.db2.gz NTMNEOFXAHDHEC-MRVPVSSYSA-N 1 0 180.182 0.500 50 0 in-vitro ACAARO N[C@@H]1COCCC1(F)F 95932419 169256855 /nfs/dbraw/zinc/25/68/55/169256855.db2.gz LSGKYSUJOFSICL-SCSAIBSYSA-N 1 0 137.129 0.369 50 0 ACAARO [NH3+][C@@H]1CCc2n[nH]cc2C1 18560216 169256964 /nfs/dbraw/zinc/25/69/64/169256964.db2.gz XTWQGFNPJUNTFD-ZCFIWIBFSA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@@H]1COc2ccccc2C1 3631047 169257098 /nfs/dbraw/zinc/25/70/98/169257098.db2.gz SVWDNDQOXZHBRM-QMMMGPOBSA-N 1 0 149.193 0.949 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2ncsc2C1 39134886 169257121 /nfs/dbraw/zinc/25/71/21/169257121.db2.gz MLHMXNRCJFPJOB-RXMQYKEDSA-N 1 0 154.238 0.959 50 0 ACAARO [NH3+][C@@H]1CCc2cncn2C1 18554741 169257131 /nfs/dbraw/zinc/25/71/31/169257131.db2.gz IRSOKACBCIJZAV-ZCFIWIBFSA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2ncccc2C1 32628524 169257159 /nfs/dbraw/zinc/25/71/59/169257159.db2.gz FHNCLWIIGMLHNP-MRVPVSSYSA-N 1 0 148.209 0.898 50 0 in-vitro ACAARO N[C@@H]1C[NH+]2CCC1CC2 19202661 169257190 /nfs/dbraw/zinc/25/71/90/169257190.db2.gz REUAXQZIRFXQML-SSDOTTSWSA-N 1 0 126.203 0.039 50 0 in-vitro ACAARO [NH3+][C@@H]1CCn2cccc2C1 18558437 169257240 /nfs/dbraw/zinc/25/72/40/169257240.db2.gz OFHLBABNSDKHMX-SSDOTTSWSA-N 1 0 136.198 0.762 50 0 ACAARO [NH3+][C@@H]1CCn2cncc2C1 18558473 169257259 /nfs/dbraw/zinc/25/72/59/169257259.db2.gz JAYLQXDSOQUHMZ-ZCFIWIBFSA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2ccccc2[C@@H]1O 8699424 169257343 /nfs/dbraw/zinc/25/73/43/169257343.db2.gz IIMSEFZOOYSTDO-ZJUUUORDSA-N 1 0 163.220 0.994 50 0 in-vitro ACAARO [NH3+][C@@H]1CCc2cnccc2C1=O 95933060 169257372 /nfs/dbraw/zinc/25/73/72/169257372.db2.gz UNMBBQJTPLHCFQ-MRVPVSSYSA-N 1 0 162.192 0.538 50 0 ACAARO [NH3+][C@@H]1COC[C@H]1N1CCCCC1 83324576 169257523 /nfs/dbraw/zinc/25/75/23/169257523.db2.gz LIVAHWSHBPBTDT-RKDXNWHRSA-N 1 0 170.256 0.198 50 0 ACAARO N[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] 23361495 169257536 /nfs/dbraw/zinc/25/75/36/169257536.db2.gz HEARQVUKBKMUPY-GHMZBOCLSA-N 1 0 191.278 0.157 50 0 in-vitro ACAARO N[C@@H]1COc2ccccc2C1=O 95397338 169257664 /nfs/dbraw/zinc/25/76/64/169257664.db2.gz GQGXWCHTYSBDRU-SSDOTTSWSA-N 1 0 163.176 0.589 50 0 in-vitro ACAARO [NH3+][C@@H]1CCn2ccnc2C1 18558581 169257683 /nfs/dbraw/zinc/25/76/83/169257683.db2.gz GXBHQCWHAXZEFI-ZCFIWIBFSA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@@H]1CO[C@@H]2CCCC[C@@H]12 25876235 169257769 /nfs/dbraw/zinc/25/77/69/169257769.db2.gz FYMJEFWEIOLRER-XLPZGREQSA-N 1 0 141.214 0.903 50 0 ACAARO [NH3+][C@@H]1CNc2ccccc2C1 4202455 169257792 /nfs/dbraw/zinc/25/77/92/169257792.db2.gz FBSQFLMMNVFTRT-QMMMGPOBSA-N 1 0 148.209 0.982 50 0 in-vitro ACAARO [NH3+][C@@H]1CO[C@H]2CCCC[C@H]12 225520871 169257801 /nfs/dbraw/zinc/25/78/01/169257801.db2.gz FYMJEFWEIOLRER-PRJMDXOYSA-N 1 0 141.214 0.903 50 0 ACAARO [NH3+][C@@H]1CCc2ccccc2[C@H]1O 8699422 169257833 /nfs/dbraw/zinc/25/78/33/169257833.db2.gz IIMSEFZOOYSTDO-NXEZZACHSA-N 1 0 163.220 0.994 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@@]12CCCOC2 70465615 169257864 /nfs/dbraw/zinc/25/78/64/169257864.db2.gz BTFIZRFXNHMFEB-RNFRBKRXSA-N 1 0 127.187 0.514 50 0 ACAARO [NH3+][C@@H]1C[C@@H]2CC[C@H](C1)O2 238790036 169258346 /nfs/dbraw/zinc/25/83/46/169258346.db2.gz LTDXJGJQKVIVHB-KVSKUHBBSA-N 1 0 127.187 0.655 50 0 ACAARO [NH3+][C@@H]1C[C@@H]2OCCC[C@H]21 95942541 169258359 /nfs/dbraw/zinc/25/83/59/169258359.db2.gz VYQRMUFYXHFYSF-XVMARJQXSA-N 1 0 127.187 0.513 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@@H]1F 19616015 169258420 /nfs/dbraw/zinc/25/84/20/169258420.db2.gz TUKJTSUSKQOYCD-STHAYSLISA-N 1 0 75.086 0.056 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@@H]1C(F)(F)F 20380775 169258483 /nfs/dbraw/zinc/25/84/83/169258483.db2.gz UDWSAEWNKJDWHU-STHAYSLISA-N 1 0 125.093 0.896 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@@H]1O[C@H]1CCCCO1 247644301 169258507 /nfs/dbraw/zinc/25/85/07/169258507.db2.gz JDCHTSRZCFQCAC-CSMHCCOUSA-N 1 0 157.213 0.629 50 0 ACAARO [NH3+][C@@H]1C[C@@H]2OCCC[C@@H]21 95942540 169258560 /nfs/dbraw/zinc/25/85/60/169258560.db2.gz VYQRMUFYXHFYSF-QYNIQEEDSA-N 1 0 127.187 0.513 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@@H]1O[C@@H]1CCCCO1 100362409 169258702 /nfs/dbraw/zinc/25/87/02/169258702.db2.gz JDCHTSRZCFQCAC-GJMOJQLCSA-N 1 0 157.213 0.629 50 0 ACAARO [NH3+][C@H]1C[C@](O)(C(F)(F)F)C1 103537680 169258833 /nfs/dbraw/zinc/25/88/33/169258833.db2.gz AEVIMGJBSUCKLH-ZXZARUISSA-N 1 0 155.119 0.401 50 0 ACAARO [NH3+][C@@H]1C[C@@H]2CC[C@H]1O2 101663448 169258841 /nfs/dbraw/zinc/25/88/41/169258841.db2.gz DZOONCSMZVPSHJ-KVQBGUIXSA-N 1 0 113.160 0.265 50 0 ACAARO [NH3+][C@@H]1C[C@H]1c1c[nH]cn1 13518991 169259071 /nfs/dbraw/zinc/25/90/71/169259071.db2.gz OWWNABDDYQLERE-RFZPGFLSSA-N 1 0 123.159 0.224 50 0 in-vivo ACAARO [NH3+][C@@H]1C[C@H]2C=C[C@@H]1C2 34802288 169259150 /nfs/dbraw/zinc/25/91/50/169259150.db2.gz CYMRDAUUJQRTGL-RRKCRQDMSA-N 1 0 109.172 0.910 50 0 ACAARO [NH3+][C@@H]1C[C@H]2OCCC[C@H]12 102203832 169259176 /nfs/dbraw/zinc/25/91/76/169259176.db2.gz VYQRMUFYXHFYSF-FSDSQADBSA-N 1 0 127.187 0.513 50 0 in-vitro ACAARO [NH3+][C@@H]1C[C@H]1C1CCOCC1 23918791 169259184 /nfs/dbraw/zinc/25/91/84/169259184.db2.gz NCIXPZLRUSGIQE-JGVFFNPUSA-N 1 0 141.214 0.760 50 0 ACAARO [NH3+][C@@H]1Cc2ccc3c(c2C1)OCO3 27763467 169259291 /nfs/dbraw/zinc/25/92/91/169259291.db2.gz AHYFDWHTTFREHS-SSDOTTSWSA-N 1 0 177.203 0.841 50 0 ACAARO 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169261248 /nfs/dbraw/zinc/26/12/48/169261248.db2.gz NBUGQUVHXNWCTQ-VHSXEESVSA-N 1 0 163.220 0.994 50 0 in-vitro ACAARO [NH3+][C@@H]1c2ccccc2C[C@@H]1O 154815 169261328 /nfs/dbraw/zinc/26/13/28/169261328.db2.gz LOPKSXMQWBYUOI-DTWKUNHWSA-N 1 0 149.193 0.603 50 0 in-vitro ACAARO [NH3+][C@@H]1[C@H](O)C[C@@H]2CCCC[C@H]21 15446596 169261364 /nfs/dbraw/zinc/26/13/64/169261364.db2.gz WLWLJSCPMJUGAL-KDXUFGMBSA-N 1 0 155.241 0.885 50 0 ACAARO [NH3+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 238857024 169261419 /nfs/dbraw/zinc/26/14/19/169261419.db2.gz XTRAFRAABTWAQF-BWZBUEFSSA-N 1 0 153.225 0.903 50 0 in-vitro ACAARO [NH3+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 84136972 169261584 /nfs/dbraw/zinc/26/15/84/169261584.db2.gz XTRAFRAABTWAQF-PRJMDXOYSA-N 1 0 153.225 0.903 50 0 in-vitro ACAARO [NH3+][C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 100219000 169261604 /nfs/dbraw/zinc/26/16/04/169261604.db2.gz HMPCLMSUNVOZLH-WSXYFGSUSA-N 1 0 167.252 0.885 50 0 ACAARO [NH3+][C@H](C(=O)NC1CC1)c1ccccc1 34717603 169261902 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169265302 /nfs/dbraw/zinc/26/53/02/169265302.db2.gz ZJUOMDNENVWMPL-SNVBAGLBSA-N 1 0 181.235 0.523 50 0 in-vitro ACAARO [NH3+][C@H](CCO)c1cccc(O)c1 2530250 169265382 /nfs/dbraw/zinc/26/53/82/169265382.db2.gz YWBVXJDWRKZBLW-SECBINFHSA-N 1 0 167.208 0.774 50 0 in-vitro ACAARO [NH3+][C@H](CN1CCOCC1)C1CC1 68893447 169265387 /nfs/dbraw/zinc/26/53/87/169265387.db2.gz QVTRIXCQUMHEDH-SECBINFHSA-N 1 0 170.256 0.056 50 0 ACAARO [NH3+][C@H](CCO)C1CCOCC1 52177667 169265542 /nfs/dbraw/zinc/26/55/42/169265542.db2.gz ODQZHUWSALAAAR-MRVPVSSYSA-N 1 0 159.229 0.123 50 0 in-vitro ACAARO [NH3+][C@H](CCO)C1CCCC1 44233919 169265554 /nfs/dbraw/zinc/26/55/54/169265554.db2.gz PBBDEJVQHJRNTA-MRVPVSSYSA-N 1 0 143.230 0.886 50 0 ACAARO [NH3+][C@H](CCO)c1ccncc1 8701053 169265586 /nfs/dbraw/zinc/26/55/86/169265586.db2.gz OPSDHGDMFGAHPA-MRVPVSSYSA-N 1 0 152.197 0.464 50 0 ACAARO [NH3+][C@H](CO)CC1CCCC1 44466897 169265645 /nfs/dbraw/zinc/26/56/45/169265645.db2.gz LUCJHUFJXWQCIF-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 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/nfs/dbraw/zinc/26/62/53/169266253.db2.gz SRQPEYLZIUEVIA-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1cccc(F)c1 36949505 169266324 /nfs/dbraw/zinc/26/63/24/169266324.db2.gz ZPXAEESIPIUPTJ-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+][C@H](CO)Cc1c(F)cccc1F 44463914 169266340 /nfs/dbraw/zinc/26/63/40/169266340.db2.gz PUTYJIUDWFEQCD-LURJTMIESA-N 1 0 187.189 0.827 50 0 ACAARO [NH3+][C@H](CO)Cc1nccs1 44464318 169266368 /nfs/dbraw/zinc/26/63/68/169266368.db2.gz SVEUUZCWYGJFOV-YFKPBYRVSA-N 1 0 158.226 0.005 50 0 ACAARO [NH3+][C@H](CO)c1ccc(F)cc1F 36949541 169266370 /nfs/dbraw/zinc/26/63/70/169266370.db2.gz QILCOZXXFOLWRN-MRVPVSSYSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@H](CO)C[C@H](O)c1ccccc1 83255094 169266381 /nfs/dbraw/zinc/26/63/81/169266381.db2.gz ACQOCBCVBZQPAR-UWVGGRQHSA-N 1 0 181.235 0.430 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1ccc(F)c(F)c1 36949543 169266443 /nfs/dbraw/zinc/26/64/43/169266443.db2.gz ONJNHFPGJRBNQM-MRVPVSSYSA-N 1 0 173.162 0.957 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/nfs/dbraw/zinc/26/67/11/169266711.db2.gz ZLKMHBJACFTDJS-ZCFIWIBFSA-N 1 0 177.207 0.555 50 0 ACAARO [NH3+][C@H](CO)Cc1ccc(F)cc1F 21985596 169266754 /nfs/dbraw/zinc/26/67/54/169266754.db2.gz ZHGQLWQGUPOTAI-QMMMGPOBSA-N 1 0 187.189 0.827 50 0 ACAARO [NH3+][C@H](CO)c1cc(F)ccc1F 36379846 169266787 /nfs/dbraw/zinc/26/67/87/169266787.db2.gz MEFNBXBWLCZHCA-MRVPVSSYSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@H](CO)Cc1ccc(O)cc1 403178 169266801 /nfs/dbraw/zinc/26/68/01/169266801.db2.gz DBLDQZASZZMNSL-QMMMGPOBSA-N 1 0 167.208 0.254 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1cccc(F)c1F 72197362 169266829 /nfs/dbraw/zinc/26/68/29/169266829.db2.gz QVPLGRFDOCDVNE-SSDOTTSWSA-N 1 0 173.162 0.957 50 0 ACAARO [NH3+][C@H](CO)[C@H](O)c1ccccc1 394589 169266837 /nfs/dbraw/zinc/26/68/37/169266837.db2.gz JUCGVCVPNPBJIG-RKDXNWHRSA-N 1 0 167.208 0.040 50 0 in-vitro ACAARO [NH3+][C@H](CO)Cc1ccc(F)cc1 20268026 169266926 /nfs/dbraw/zinc/26/69/26/169266926.db2.gz NHOCAYQCFORHNF-VIFPVBQESA-N 1 0 169.199 0.688 50 0 in-vitro ACAARO [NH3+][C@H](CO)Cc1ccccc1 6731693 169266935 /nfs/dbraw/zinc/26/69/35/169266935.db2.gz STVVMTBJNDTZBF-VIFPVBQESA-N 1 0 151.209 0.549 50 0 in-vivo,metabolite ACAARO [NH3+][C@H](CO)c1cccc(O)c1 38124677 169266967 /nfs/dbraw/zinc/26/69/67/169266967.db2.gz CMKYFDIMOOWZGH-MRVPVSSYSA-N 1 0 153.181 0.384 50 0 ACAARO [NH3+][C@H](CO)c1ccc(F)cn1 85224042 169266998 /nfs/dbraw/zinc/26/69/98/169266998.db2.gz KVIOOLOPFBRQCT-ZCFIWIBFSA-N 1 0 156.160 0.213 50 0 ACAARO [NH3+][C@H](CO)c1c(F)cccc1F 36949512 169267012 /nfs/dbraw/zinc/26/70/12/169267012.db2.gz FWVIIGPYZSXQGV-SSDOTTSWSA-N 1 0 173.162 0.957 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1ccccn1 39050026 169267032 /nfs/dbraw/zinc/26/70/32/169267032.db2.gz QHWDUHWJQCQQSH-ZCFIWIBFSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1ccncc1 39050022 169267071 /nfs/dbraw/zinc/26/70/71/169267071.db2.gz UJQNMMGJHWLZID-SSDOTTSWSA-N 1 0 138.170 0.074 50 0 ACAARO [NH3+][C@H](CO)c1cccnc1 6662162 169267105 /nfs/dbraw/zinc/26/71/05/169267105.db2.gz RTBSTLCUXKGLPI-SSDOTTSWSA-N 1 0 138.170 0.074 50 0 in-vitro ACAARO [NH3+][C@H](CO)[C@@H](O)c1ccccc1 394588 169267149 /nfs/dbraw/zinc/26/71/49/169267149.db2.gz JUCGVCVPNPBJIG-BDAKNGLRSA-N 1 0 167.208 0.040 50 0 in-vitro ACAARO [NH3+][C@H](CO)Cc1cccs1 20268004 169267173 /nfs/dbraw/zinc/26/71/73/169267173.db2.gz LKMKVVNGSUXRQB-LURJTMIESA-N 1 0 157.238 0.610 50 0 ACAARO [NH3+][C@H](CO)[C@@H](O)C1CCCCC1 32301836 169267244 /nfs/dbraw/zinc/26/72/44/169267244.db2.gz DKAWCXNITOXQFI-BDAKNGLRSA-N 1 0 173.256 0.247 50 0 ACAARO [NH3+][C@H](CO)c1cccs1 41167000 169267280 /nfs/dbraw/zinc/26/72/80/169267280.db2.gz KLKQAOHZFHBEIQ-RXMQYKEDSA-N 1 0 143.211 0.740 50 0 ACAARO [NH3+][C@H](CO)Cc1cncs1 44465421 169267388 /nfs/dbraw/zinc/26/73/88/169267388.db2.gz FRIMRCTZPRCLMW-YFKPBYRVSA-N 1 0 158.226 0.005 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1ncc(F)cc1F 85224047 169267400 /nfs/dbraw/zinc/26/74/00/169267400.db2.gz AMGQRACZJQQGIM-ZCFIWIBFSA-N 1 0 174.150 0.352 50 0 ACAARO [NH3+][C@H](CO)c1ccccc1F 12404644 169267406 /nfs/dbraw/zinc/26/74/06/169267406.db2.gz SZOFSDXTFGOZLA-MRVPVSSYSA-N 1 0 155.172 0.818 50 0 in-vitro ACAARO [NH3+][C@H](CO)c1ccccc1 6116207 169267443 /nfs/dbraw/zinc/26/74/43/169267443.db2.gz IJXJGQCXFSSHNL-MRVPVSSYSA-N 1 0 137.182 0.679 50 0 in-vitro ACAARO [NH3+][C@H](c1ncccn1)C1CC1 17787190 169269230 /nfs/dbraw/zinc/26/92/30/169269230.db2.gz KRYJBWYSJJZBFV-ZETCQYMHSA-N 1 0 149.197 0.886 50 0 ACAARO [NH3+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 238850410 169269569 /nfs/dbraw/zinc/26/95/69/169269569.db2.gz BJGWXWGZHURERG-DTWKUNHWSA-N 1 0 185.267 0.655 50 0 in-vitro ACAARO [NH3+][C@H](c1ncon1)C1CC1 41047646 169269710 /nfs/dbraw/zinc/26/97/10/169269710.db2.gz VPUBNZIFLGVJLV-YFKPBYRVSA-N 1 0 139.158 0.479 50 0 ACAARO [NH3+][C@H](Cn1cncn1)c1ccccc1 23069077 169269858 /nfs/dbraw/zinc/26/98/58/169269858.db2.gz FYJDNCPFUPXEJK-SNVBAGLBSA-N 1 0 188.234 0.978 50 0 in-vitro ACAARO [NH3+][C@H]([C@H]1CCCO1)C1(CO)CCC1 238850412 169270096 /nfs/dbraw/zinc/27/00/96/169270096.db2.gz BJGWXWGZHURERG-RKDXNWHRSA-N 1 0 185.267 0.655 50 0 in-vitro ACAARO [NH3+][C@H]1CCC1(F)F 57219012 169270536 /nfs/dbraw/zinc/27/05/36/169270536.db2.gz UHJMTZCOQFSWEC-VKHMYHEASA-N 1 0 107.103 0.743 50 0 ACAARO [NH3+][C@H]1CC(=O)N2CCCC[C@H]12 82406998 169270634 /nfs/dbraw/zinc/27/06/34/169270634.db2.gz VUBAJLGVZNDMGM-NKWVEPMBSA-N 1 0 154.213 0.099 50 0 in-vitro ACAARO N[C@H]1CC2CC[NH+](CC2)C1 39078737 169270649 /nfs/dbraw/zinc/27/06/49/169270649.db2.gz UALFYMMGEYDHHJ-QMMMGPOBSA-N 1 0 140.230 0.429 50 0 ACAARO [NH3+][C@H]1CC(=O)N(C2CCCC2)C1 20274988 169270696 /nfs/dbraw/zinc/27/06/96/169270696.db2.gz NAXXXUBOAYFUGT-ZETCQYMHSA-N 1 0 168.240 0.489 50 0 ACAARO [NH3+][C@H]1CC(=O)N(c2ccccc2F)C1 13483642 169270877 /nfs/dbraw/zinc/27/08/77/169270877.db2.gz GDCLPWAQRWKWQG-ZETCQYMHSA-N 1 0 194.209 0.890 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N(c2ccc(F)cc2)C1 11920013 169270901 /nfs/dbraw/zinc/27/09/01/169270901.db2.gz PFQYVGPBEIRKTM-QMMMGPOBSA-N 1 0 194.209 0.890 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N2CCCC[C@@H]12 82406997 169270926 /nfs/dbraw/zinc/27/09/26/169270926.db2.gz VUBAJLGVZNDMGM-BQBZGAKWSA-N 1 0 154.213 0.099 50 0 in-vitro ACAARO [NH3+][C@H]1C(=O)NCc2ccccc21 82046675 169270984 /nfs/dbraw/zinc/27/09/84/169270984.db2.gz PRVYXGQGPCTVJF-MRVPVSSYSA-N 1 0 162.192 0.316 50 0 ACAARO [NH3+][C@H]1CCC2(C1)OCCO2 71488817 169270993 /nfs/dbraw/zinc/27/09/93/169270993.db2.gz FTUCRLHGAZBPBK-LURJTMIESA-N 1 0 143.186 0.241 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N(c2cccc(F)c2)C1 15014809 169271002 /nfs/dbraw/zinc/27/10/02/169271002.db2.gz HOTFMDGTMULAGL-QMMMGPOBSA-N 1 0 194.209 0.890 50 0 ACAARO [NH3+][C@H]1CC(=O)N(Cc2ccccc2)C1 11920011 169271021 /nfs/dbraw/zinc/27/10/21/169271021.db2.gz ZBULGGJXBMLOKD-JTQLQIEISA-N 1 0 190.246 0.746 50 0 in-vitro ACAARO [NH3+][C@H]1CC12CCOCC2 52126272 169271038 /nfs/dbraw/zinc/27/10/38/169271038.db2.gz DZKJNOMPBWITCE-LURJTMIESA-N 1 0 127.187 0.514 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N(c2ccccc2)C1 6096784 169271067 /nfs/dbraw/zinc/27/10/67/169271067.db2.gz UDKJUMSGHZGQEH-QMMMGPOBSA-N 1 0 176.219 0.751 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)Nc2ccccc2C1 21984908 169271124 /nfs/dbraw/zinc/27/11/24/169271124.db2.gz SLOYJNVWCPTJLN-MRVPVSSYSA-N 1 0 176.219 0.899 50 0 ACAARO [NH3+][C@H]1CC(=O)N(C2CCCCC2)C1 20275015 169271164 /nfs/dbraw/zinc/27/11/64/169271164.db2.gz KBEMXFCEFKMIBX-QMMMGPOBSA-N 1 0 182.267 0.879 50 0 in-vitro ACAARO [NH3+][C@H]1CC12CC2 104596292 169271360 /nfs/dbraw/zinc/27/13/60/169271360.db2.gz TYUSITBZTFHUJR-BYPYZUCNSA-N 1 0 83.134 0.498 50 0 in-vitro ACAARO [NH3+][C@H]1CC=CC[C@H]1CO 4262161 169271428 /nfs/dbraw/zinc/27/14/28/169271428.db2.gz SZLMSKCXLLFJEI-BQBZGAKWSA-N 1 0 127.187 0.272 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N(CC(F)(F)F)C1 35679810 169271534 /nfs/dbraw/zinc/27/15/34/169271534.db2.gz KNHGCHDBFYADSW-BYPYZUCNSA-N 1 0 182.145 0.108 50 0 in-vitro ACAARO [NH3+][C@H]1CC(=O)N(Cc2cccs2)C1 26422691 169271547 /nfs/dbraw/zinc/27/15/47/169271547.db2.gz JMIWBNCKYHZWSA-ZETCQYMHSA-N 1 0 196.275 0.808 50 0 ACAARO [NH3+][C@H]1CCCC(=O)C1 21986272 169271596 /nfs/dbraw/zinc/27/15/96/169271596.db2.gz ASBBDDWCPOFASB-YFKPBYRVSA-N 1 0 113.160 0.457 50 0 in-vitro ACAARO [NH3+][C@H]1C=CCC1 34080615 169271630 /nfs/dbraw/zinc/27/16/30/169271630.db2.gz VSYCRDXNSAXDIU-YFKPBYRVSA-N 1 0 83.134 0.664 50 0 ACAARO [NH3+][C@H]1CCCN(CC(F)F)C1 41030066 169271818 /nfs/dbraw/zinc/27/18/18/169271818.db2.gz KSQSIVCPTDXLEO-LURJTMIESA-N 1 0 164.199 0.675 50 0 ACAARO [NH3+][C@H]1CCCN2CCCC[C@H]12 39080635 169271846 /nfs/dbraw/zinc/27/18/46/169271846.db2.gz SHDAASRRPFQHIB-DTWKUNHWSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC[C@H]1N1CCOCC1 19278706 169271947 /nfs/dbraw/zinc/27/19/47/169271947.db2.gz ZRAFIVNWDABKOL-VHSXEESVSA-N 1 0 184.283 0.589 50 0 ACAARO [NH3+][C@H]1CCCN(C(=O)C2CC2)C1 20160236 169271973 /nfs/dbraw/zinc/27/19/73/169271973.db2.gz WLLZJPLISPRNPJ-QMMMGPOBSA-N 1 0 168.240 0.346 50 0 in-vitro ACAARO [NH3+][C@H]1CCCCC[C@H]1CO 4202840 169271981 /nfs/dbraw/zinc/27/19/81/169271981.db2.gz VMTDISKAQUTKLX-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(CCF)C1 87776572 169272000 /nfs/dbraw/zinc/27/20/00/169272000.db2.gz RZCRIYWIMDHDKZ-ZETCQYMHSA-N 1 0 146.209 0.379 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(C(=O)c2ccco2)C1 20479542 169272029 /nfs/dbraw/zinc/27/20/29/169272029.db2.gz ZWCSFKGMAJEDCW-QMMMGPOBSA-N 1 0 194.234 0.843 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(CC(F)(F)F)C1=O 70062168 169272057 /nfs/dbraw/zinc/27/20/57/169272057.db2.gz OVZICQHZJDXMHT-YFKPBYRVSA-N 1 0 196.172 0.498 50 0 ACAARO [NH3+][C@H]1CCCN2CCCC[C@@H]12 39080633 169272131 /nfs/dbraw/zinc/27/21/31/169272131.db2.gz SHDAASRRPFQHIB-IUCAKERBSA-N 1 0 154.257 0.962 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC[C@H]1CO 2516850 169272170 /nfs/dbraw/zinc/27/21/70/169272170.db2.gz GCWPGEWXYDEQAY-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(C(=O)CC2CC2)C1 49731511 169272219 /nfs/dbraw/zinc/27/22/19/169272219.db2.gz VNHNKJIZKRQULJ-VIFPVBQESA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@H]1CCCC[C@@H]1O 3851717 169272272 /nfs/dbraw/zinc/27/22/72/169272272.db2.gz PQMCFTMVQORYJC-WDSKDSINSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@H]1CCCCCC1=O 39427091 169272293 /nfs/dbraw/zinc/27/22/93/169272293.db2.gz AGGSGTDKCCRCNB-LURJTMIESA-N 1 0 127.187 0.847 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(C(=O)C2CCC2)C1 41028235 169272337 /nfs/dbraw/zinc/27/23/37/169272337.db2.gz YDHNWOMYDYLFNV-VIFPVBQESA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@H]1CCCC[C@H]1O 3851718 169272428 /nfs/dbraw/zinc/27/24/28/169272428.db2.gz PQMCFTMVQORYJC-NTSWFWBYSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@H]1CCCCC[C@@H]1CO 2525330 169272461 /nfs/dbraw/zinc/27/24/61/169272461.db2.gz VMTDISKAQUTKLX-SFYZADRCSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO [NH3+][C@H]1CCCCC1=O 4722147 169272482 /nfs/dbraw/zinc/27/24/82/169272482.db2.gz KMLPEYHLAKSCGX-YFKPBYRVSA-N 1 0 113.160 0.457 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC2(C1)OCCO2 62152615 169272552 /nfs/dbraw/zinc/27/25/52/169272552.db2.gz FHIZBPVFWFMMBG-ZETCQYMHSA-N 1 0 157.213 0.631 50 0 in-vitro ACAARO [NH3+][C@H]1CCCCC12OCCO2 82164203 169272608 /nfs/dbraw/zinc/27/26/08/169272608.db2.gz OGSUWVLDPAKUDB-ZETCQYMHSA-N 1 0 157.213 0.631 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC[C@H]1n1cc(CO)nn1 97053971 169272662 /nfs/dbraw/zinc/27/26/62/169272662.db2.gz QQSZPBJHJLBWSC-DTWKUNHWSA-N 1 0 196.254 0.213 50 0 ACAARO [NH3+][C@H]1CCCN(C(=O)N2CCCC2)C1 85961279 169272674 /nfs/dbraw/zinc/27/26/74/169272674.db2.gz AJBYMVBLVMTYAE-VIFPVBQESA-N 1 0 197.282 0.625 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC1=O 4538568 169272802 /nfs/dbraw/zinc/27/28/02/169272802.db2.gz XBPWUNNYJOLFGX-BYPYZUCNSA-N 1 0 99.133 0.067 50 0 in-vitro ACAARO [NH3+][C@H]1CCCN(CC(F)(F)F)C1 19802966 169272808 /nfs/dbraw/zinc/27/28/08/169272808.db2.gz LFNPPORHPVBDHE-LURJTMIESA-N 1 0 182.189 0.972 50 0 ACAARO [NH3+][C@H]1CCCC[C@@H]1CO 34327597 169272913 /nfs/dbraw/zinc/27/29/13/169272913.db2.gz GCWPGEWXYDEQAY-RQJHMYQMSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@H]1CCCC[C@@H]1N1CCOCC1 19278702 169272914 /nfs/dbraw/zinc/27/29/14/169272914.db2.gz ZRAFIVNWDABKOL-UWVGGRQHSA-N 1 0 184.283 0.589 50 0 ACAARO [NH3+][C@H]1CCCCC[C@@H]1O 34179246 169272960 /nfs/dbraw/zinc/27/29/60/169272960.db2.gz ZWOFTVSNNFYPAB-BQBZGAKWSA-N 1 0 129.203 0.639 50 0 ACAARO [NH3+][C@H]1CCCSC1 34207089 169273040 /nfs/dbraw/zinc/27/30/40/169273040.db2.gz RRYVQPYROGYYSM-YFKPBYRVSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO [NH3+][C@H]1CCC[C@H](O)C1 2511719 169273052 /nfs/dbraw/zinc/27/30/52/169273052.db2.gz NIQIPYGXPZUDDP-WDSKDSINSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@H]1CCC[C@@H](O)C1 12953615 169273066 /nfs/dbraw/zinc/27/30/66/169273066.db2.gz NIQIPYGXPZUDDP-NTSWFWBYSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@H]1CCC[C@H]1CCO 95884028 169273078 /nfs/dbraw/zinc/27/30/78/169273078.db2.gz ORYSLNLONJQCSR-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@H]1CCC[C@H]1N1CCOCC1 23069244 169273141 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in-vitro ACAARO [NH3+][C@H]1CCN(C2CCC2)C1=O 52210823 169275390 /nfs/dbraw/zinc/27/53/90/169275390.db2.gz NFXVNCVSBQVVEC-ZETCQYMHSA-N 1 0 154.213 0.099 50 0 ACAARO [NH3+][C@H]1CC[N@@H+]2CCC[C@H]2C1 34679259 169275398 /nfs/dbraw/zinc/27/53/98/169275398.db2.gz UYVABMTWTWPWFG-YUMQZZPRSA-N 1 0 140.230 0.572 50 0 in-vitro ACAARO [NH3+][C@H]1CCOc2ccccc2[C@H]1O 34519116 169275445 /nfs/dbraw/zinc/27/54/45/169275445.db2.gz YRMMRFYPKHSIDT-WCBMZHEXSA-N 1 0 179.219 0.830 50 0 ACAARO [NH3+][C@H]1CCOc2cccnc21 20974565 169275451 /nfs/dbraw/zinc/27/54/51/169275451.db2.gz WBEVIMZYSNHMAN-LURJTMIESA-N 1 0 150.181 0.864 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2c[nH]nc2C1 18560338 169275453 /nfs/dbraw/zinc/27/54/53/169275453.db2.gz LIDRLTJNPRPOFD-LURJTMIESA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@@H](CO)CC1 100189591 169275466 /nfs/dbraw/zinc/27/54/66/169275466.db2.gz GHUJZOFJZVGTSN-LJGSYFOKSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@@](O)(C(F)(F)F)C1 57218929 169275467 /nfs/dbraw/zinc/27/54/67/169275467.db2.gz AYCCOAABGNCNAQ-WHFBIAKZSA-N 1 0 169.146 0.791 50 0 in-vitro ACAARO [NH3+][C@H]1CCSC1 19090218 169275481 /nfs/dbraw/zinc/27/54/81/169275481.db2.gz GBNRIMMKLMTDLW-BYPYZUCNSA-N 1 0 103.190 0.451 50 0 in-vitro ACAARO [NH3+][C@H]1CCOc2ccc(F)cc2[C@H]1O 62567986 169275597 /nfs/dbraw/zinc/27/55/97/169275597.db2.gz NKPAXIGUBQQRNG-WCBMZHEXSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@H]1CCOc2c(F)cccc2[C@H]1O 62567964 169275614 /nfs/dbraw/zinc/27/56/14/169275614.db2.gz SBZXBOKIPOOYQS-DTWKUNHWSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@H]1CC[C@H](C(=O)N2CCCC2)C1 85008801 169275690 /nfs/dbraw/zinc/27/56/90/169275690.db2.gz SAEUPIMIRKHBCD-IUCAKERBSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@H]1CCOc2c(F)cccc2[C@@H]1O 62567977 169275713 /nfs/dbraw/zinc/27/57/13/169275713.db2.gz SBZXBOKIPOOYQS-IUCAKERBSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@H]1CCOc2ccccc2[C@@H]1O 26729779 169275715 /nfs/dbraw/zinc/27/57/15/169275715.db2.gz YRMMRFYPKHSIDT-WPRPVWTQSA-N 1 0 179.219 0.830 50 0 ACAARO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 85008799 169275741 /nfs/dbraw/zinc/27/57/41/169275741.db2.gz SAEUPIMIRKHBCD-BDAKNGLRSA-N 1 0 182.267 0.736 50 0 ACAARO [NH3+][C@H]1CC[C@@H](C(F)(F)F)NC1=O 32628954 169275810 /nfs/dbraw/zinc/27/58/10/169275810.db2.gz VJRHPNDTTZGATG-IMJSIDKUSA-N 1 0 182.145 0.155 50 0 ACAARO [NH3+][C@H]1CCc2nc[nH]c2C1 3647886 169275833 /nfs/dbraw/zinc/27/58/33/169275833.db2.gz XPJLVDOGXOROPC-YFKPBYRVSA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@H](CO)CC1 100031682 169275838 /nfs/dbraw/zinc/27/58/38/169275838.db2.gz GHUJZOFJZVGTSN-KNVOCYPGSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@@H](CO)C1 34206356 169275864 /nfs/dbraw/zinc/27/58/64/169275864.db2.gz HVQDOKDLGGYIOY-RITPCOANSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO [NH3+][C@H]1CCOc2ccc(F)cc2[C@@H]1O 62567985 169275866 /nfs/dbraw/zinc/27/58/66/169275866.db2.gz NKPAXIGUBQQRNG-WPRPVWTQSA-N 1 0 197.209 0.969 50 0 ACAARO [NH3+][C@H]1CC[C@@H](N2CCOCC2)C1 71496562 169276046 /nfs/dbraw/zinc/27/60/46/169276046.db2.gz ZNWJKNHRXMWQRB-DTWKUNHWSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@H]1CC[C@](O)(C(F)(F)F)C1 57218928 169276068 /nfs/dbraw/zinc/27/60/68/169276068.db2.gz AYCCOAABGNCNAQ-CRCLSJGQSA-N 1 0 169.146 0.791 50 0 in-vitro ACAARO [NH3+][C@H]1CCS(=O)(=O)c2ccccc21 54967523 169276080 /nfs/dbraw/zinc/27/60/80/169276080.db2.gz AGQPICIMOSZNKU-QMMMGPOBSA-N 1 0 197.259 0.864 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@H](O)CC1 100002189 169276114 /nfs/dbraw/zinc/27/61/14/169276114.db2.gz IMLXLGZJLAOKJN-OLQVQODUSA-N 1 0 115.176 0.249 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@H](C(F)(F)F)NC1=O 32628958 169276244 /nfs/dbraw/zinc/27/62/44/169276244.db2.gz VJRHPNDTTZGATG-IUYQGCFVSA-N 1 0 182.145 0.155 50 0 ACAARO [NH3+][C@H]1CC[C@H](F)C1 88611431 169276351 /nfs/dbraw/zinc/27/63/51/169276351.db2.gz YEPOLBBUNYSRBS-WHFBIAKZSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@@H](NC(=O)C2CC2)CC1 238689203 169276410 /nfs/dbraw/zinc/27/64/10/169276410.db2.gz CDIKBRXPAIRDOF-KYZUINATSA-N 1 0 182.267 0.783 50 0 ACAARO [NH3+][C@H]1CC[C@@H](F)C1 66351530 169276436 /nfs/dbraw/zinc/27/64/36/169276436.db2.gz YEPOLBBUNYSRBS-UHNVWZDZSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO [NH3+][C@H]1CC[C@H](N2CCOCC2)C1 71496560 169276442 /nfs/dbraw/zinc/27/64/42/169276442.db2.gz ZNWJKNHRXMWQRB-IUCAKERBSA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+][C@H]1COc2ccccc2[C@H]1O 19881160 169276500 /nfs/dbraw/zinc/27/65/00/169276500.db2.gz HCUMBNVFLOJFSA-IONNQARKSA-N 1 0 165.192 0.440 50 0 in-vitro ACAARO [NH3+][C@H]1CN(c2ccccc2)C1=O 45823769 169276640 /nfs/dbraw/zinc/27/66/40/169276640.db2.gz YUJJTFVMOLATBS-QMMMGPOBSA-N 1 0 162.192 0.361 50 0 in-vitro ACAARO N[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] 23361502 169276659 /nfs/dbraw/zinc/27/66/59/169276659.db2.gz HEARQVUKBKMUPY-QWRGUYRKSA-N 1 0 191.278 0.157 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2cnccc2C1=O 39136941 169276664 /nfs/dbraw/zinc/27/66/64/169276664.db2.gz UNMBBQJTPLHCFQ-QMMMGPOBSA-N 1 0 162.192 0.538 50 0 ACAARO [NH3+][C@H]1CN(c2ccc(F)cc2)C1=O 95347873 169276722 /nfs/dbraw/zinc/27/67/22/169276722.db2.gz NTMNEOFXAHDHEC-QMMMGPOBSA-N 1 0 180.182 0.500 50 0 in-vitro ACAARO N[C@H]1C[NH+]2CCC1CC2 19202664 169276752 /nfs/dbraw/zinc/27/67/52/169276752.db2.gz REUAXQZIRFXQML-ZETCQYMHSA-N 1 0 126.203 0.039 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2sccc2NC1=O 95347993 169276884 /nfs/dbraw/zinc/27/68/84/169276884.db2.gz WXHZHKVGSYYDGJ-YFKPBYRVSA-N 1 0 182.248 0.960 50 0 in-vitro ACAARO [NH3+][C@H]1CCn2ccnc21 39073679 169276892 /nfs/dbraw/zinc/27/68/92/169276892.db2.gz RNQMYFYTUSXCRX-YFKPBYRVSA-N 1 0 123.159 0.287 50 0 in-vitro ACAARO [NH3+][C@H]1CCn2ccnc2C1 18558582 169277079 /nfs/dbraw/zinc/27/70/79/169277079.db2.gz GXBHQCWHAXZEFI-LURJTMIESA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2ncsc2C1 39134887 169277086 /nfs/dbraw/zinc/27/70/86/169277086.db2.gz MLHMXNRCJFPJOB-YFKPBYRVSA-N 1 0 154.238 0.959 50 0 ACAARO [NH3+][C@H]1CCn2cncc21 39073662 169277097 /nfs/dbraw/zinc/27/70/97/169277097.db2.gz XABPGCSJFAIKRZ-YFKPBYRVSA-N 1 0 123.159 0.287 50 0 ACAARO [NH3+][C@H]1CCc2ncccc2C1 32628526 169277130 /nfs/dbraw/zinc/27/71/30/169277130.db2.gz FHNCLWIIGMLHNP-QMMMGPOBSA-N 1 0 148.209 0.898 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2cncn2C1 18554742 169277153 /nfs/dbraw/zinc/27/71/53/169277153.db2.gz IRSOKACBCIJZAV-LURJTMIESA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@H]1CS(=O)(=O)Cc2ccccc21 89222864 169277171 /nfs/dbraw/zinc/27/71/71/169277171.db2.gz NQQQZIIUCBAOSL-VIFPVBQESA-N 1 0 197.259 0.615 50 0 in-vitro ACAARO [NH3+][C@H]1COc2ncccc21 25922371 169277236 /nfs/dbraw/zinc/27/72/36/169277236.db2.gz FVFOKJAXSFMXAT-LURJTMIESA-N 1 0 136.154 0.474 50 0 in-vitro ACAARO [NH3+][C@H]1CCn2cccc2C1 18558438 169277244 /nfs/dbraw/zinc/27/72/44/169277244.db2.gz OFHLBABNSDKHMX-ZETCQYMHSA-N 1 0 136.198 0.762 50 0 ACAARO [NH3+][C@H]1COc2ccccc2[C@@H]1O 19881156 169277255 /nfs/dbraw/zinc/27/72/55/169277255.db2.gz HCUMBNVFLOJFSA-CBAPKCEASA-N 1 0 165.192 0.440 50 0 in-vitro ACAARO [NH3+][C@H]1CCn2nccc2C1 18558510 169277268 /nfs/dbraw/zinc/27/72/68/169277268.db2.gz JJNXSQRHVCZLAK-LURJTMIESA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO N[C@H]1C[N@@H+](C2CCCCC2)C[C@@H]1O 71773790 169277326 /nfs/dbraw/zinc/27/73/26/169277326.db2.gz RQSKRJYCVHMDIH-UWVGGRQHSA-N 1 0 184.283 0.323 50 0 ACAARO [NH3+][C@H]1CCc2nccn2C1 18554784 169277370 /nfs/dbraw/zinc/27/73/70/169277370.db2.gz DMGFKLHPPROGNY-LURJTMIESA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2n[nH]cc2C1 18560218 169277507 /nfs/dbraw/zinc/27/75/07/169277507.db2.gz XTWQGFNPJUNTFD-LURJTMIESA-N 1 0 137.186 0.226 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2ccccc2[C@@H]1O 8699423 169277600 /nfs/dbraw/zinc/27/76/00/169277600.db2.gz IIMSEFZOOYSTDO-UWVGGRQHSA-N 1 0 163.220 0.994 50 0 in-vivo ACAARO [NH3+][C@H]1CCn2cncc2C1 18558474 169277608 /nfs/dbraw/zinc/27/76/08/169277608.db2.gz JAYLQXDSOQUHMZ-LURJTMIESA-N 1 0 137.186 0.157 50 0 in-vitro ACAARO [NH3+][C@H]1COc2ccccc2C1 2599306 169277613 /nfs/dbraw/zinc/27/76/13/169277613.db2.gz SVWDNDQOXZHBRM-MRVPVSSYSA-N 1 0 149.193 0.949 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2ccccc2NC1=O 4202641 169277631 /nfs/dbraw/zinc/27/76/31/169277631.db2.gz AUAKXRGQXZRTQC-QMMMGPOBSA-N 1 0 176.219 0.899 50 0 in-vitro ACAARO [NH3+][C@H]1CNc2ccccc2C1 4202456 169277649 /nfs/dbraw/zinc/27/76/49/169277649.db2.gz FBSQFLMMNVFTRT-MRVPVSSYSA-N 1 0 148.209 0.982 50 0 in-vitro ACAARO [NH3+][C@H]1CCc2ccccc2[C@H]1O 8699421 169277658 /nfs/dbraw/zinc/27/76/58/169277658.db2.gz IIMSEFZOOYSTDO-VHSXEESVSA-N 1 0 163.220 0.994 50 0 in-vivo ACAARO [NH3+][C@H]1C[C@@]12CCCOC2 70465613 169278076 /nfs/dbraw/zinc/27/80/76/169278076.db2.gz BTFIZRFXNHMFEB-NKWVEPMBSA-N 1 0 127.187 0.514 50 0 ACAARO [NH3+][C@H]1C[C@@H]1F 19616152 169278130 /nfs/dbraw/zinc/27/81/30/169278130.db2.gz TUKJTSUSKQOYCD-HRFVKAFMSA-N 1 0 75.086 0.056 50 0 ACAARO [NH3+][C@H]1C[C@@H](F)C1 100482985 169278178 /nfs/dbraw/zinc/27/81/78/169278178.db2.gz APCSZMINSACNSQ-JPYJGEKTSA-N 1 0 89.113 0.446 50 0 ACAARO [NH3+][C@H]1C[C@@H]1C(F)(F)F 20380779 169278395 /nfs/dbraw/zinc/27/83/95/169278395.db2.gz UDWSAEWNKJDWHU-HRFVKAFMSA-N 1 0 125.093 0.896 50 0 in-vitro ACAARO N[C@H]1C[C@@H]2CCCC[N@@H+]2C1 68590788 169278420 /nfs/dbraw/zinc/27/84/20/169278420.db2.gz DNWGGLVQANNAHV-YUMQZZPRSA-N 1 0 140.230 0.572 50 0 in-vitro ACAARO [NH3+][C@H]1C[C@H](F)C1 100482988 169278447 /nfs/dbraw/zinc/27/84/47/169278447.db2.gz APCSZMINSACNSQ-ZXZARUISSA-N 1 0 89.113 0.446 50 0 ACAARO [NH3+][C@H]1C[C@@H]2CC[C@H](C1)O2 253496151 169278665 /nfs/dbraw/zinc/27/86/65/169278665.db2.gz LTDXJGJQKVIVHB-POBXSPIYSA-N 1 0 127.187 0.655 50 0 ACAARO [NH3+][C@H]1C[C@@H](Oc2ncccn2)C1 238860519 169278666 /nfs/dbraw/zinc/27/86/66/169278666.db2.gz ZQAQSZGOSXUMQW-KNVOCYPGSA-N 1 0 165.196 0.345 50 0 ACAARO [NH3+][C@H]1C[C@@H]2C[C@@H]2C1 104637084 169278685 /nfs/dbraw/zinc/27/86/85/169278685.db2.gz HAEHSFVDBQNHOX-FPFOFBBKSA-N 1 0 97.161 0.744 50 0 in-vitro ACAARO [NH3+][C@H]1Cc2cccnc2C1 39050099 169279024 /nfs/dbraw/zinc/27/90/24/169279024.db2.gz FEBSOMPLLSUUSE-ZETCQYMHSA-N 1 0 134.182 0.508 50 0 ACAARO [NH3+][C@H]1C[C@H]2C=C[C@@H]1C2 34802286 169279359 /nfs/dbraw/zinc/27/93/59/169279359.db2.gz CYMRDAUUJQRTGL-XVMARJQXSA-N 1 0 109.172 0.910 50 0 ACAARO [NH3+][C@H]1Cc2ccccc2C1=O 57935288 169279463 /nfs/dbraw/zinc/27/94/63/169279463.db2.gz MFWNULQJIPYQAD-QMMMGPOBSA-N 1 0 147.177 0.753 50 0 in-vitro ACAARO [NH3+][C@H]1Cc2cccc(O)c2C1 68590483 169279556 /nfs/dbraw/zinc/27/95/56/169279556.db2.gz MKMYGMZCCPQLER-ZETCQYMHSA-N 1 0 149.193 0.818 50 0 in-vitro ACAARO [NH3+][C@H]1C[C@H]1C(F)(F)F 20380785 169279575 /nfs/dbraw/zinc/27/95/75/169279575.db2.gz UDWSAEWNKJDWHU-GBXIJSLDSA-N 1 0 125.093 0.896 50 0 in-vitro ACAARO [NH3+][C@H]1Cc2ccccc2NC1=O 12377413 169279628 /nfs/dbraw/zinc/27/96/28/169279628.db2.gz ANZIRVOGVJLJHE-ZETCQYMHSA-N 1 0 162.192 0.509 50 0 in-vitro ACAARO N[C@H]1c2ccccc2C[C@@H]1[NH3+] 47845219 169279812 /nfs/dbraw/zinc/27/98/12/169279812.db2.gz WDXURXJYTUFEPX-IUCAKERBSA-N 1 0 148.209 0.570 50 0 in-vitro ACAARO [NH3+][C@H]1Cc2ccccc2C[C@H]1O 39136176 169279914 /nfs/dbraw/zinc/27/99/14/169279914.db2.gz DZFUCWJCVNOGJS-VHSXEESVSA-N 1 0 163.220 0.473 50 0 ACAARO N[C@@H]1c2ccccc2C[C@@H]1[NH3+] 47845216 169279988 /nfs/dbraw/zinc/27/99/88/169279988.db2.gz WDXURXJYTUFEPX-DTWKUNHWSA-N 1 0 148.209 0.570 50 0 ACAARO [NH3+][C@H]1C[C@H]1F 19616161 169279998 /nfs/dbraw/zinc/27/99/98/169279998.db2.gz TUKJTSUSKQOYCD-GBXIJSLDSA-N 1 0 75.086 0.056 50 0 ACAARO [NH3+][C@H]1Cc2ccc3c(c2C1)OCO3 27763472 169280046 /nfs/dbraw/zinc/28/00/46/169280046.db2.gz AHYFDWHTTFREHS-ZETCQYMHSA-N 1 0 177.203 0.841 50 0 ACAARO [NH3+][C@H]1Cc2ccccc2[C@H]1O 3634982 169280088 /nfs/dbraw/zinc/28/00/88/169280088.db2.gz HRWCWYGWEVVDLT-DTWKUNHWSA-N 1 0 149.193 0.603 50 0 in-vitro ACAARO [NH3+][C@H]1C[C@]12CCCOC2 70465614 169280092 /nfs/dbraw/zinc/28/00/92/169280092.db2.gz BTFIZRFXNHMFEB-BQBZGAKWSA-N 1 0 127.187 0.514 50 0 ACAARO [NH3+][C@H]1Cc2ccccc2C[C@@H]1O 39136178 169280112 /nfs/dbraw/zinc/28/01/12/169280112.db2.gz DZFUCWJCVNOGJS-UWVGGRQHSA-N 1 0 163.220 0.473 50 0 ACAARO [NH3+][C@H]1Cc2ccccc2[C@@H]1O 3634981 169280125 /nfs/dbraw/zinc/28/01/25/169280125.db2.gz HRWCWYGWEVVDLT-IUCAKERBSA-N 1 0 149.193 0.603 50 0 in-vitro ACAARO [NH3+][C@H]1C[C@H]2OCC[C@@H]12 91241706 169280211 /nfs/dbraw/zinc/28/02/11/169280211.db2.gz QTSOGHFBXHIBFM-HCWXCVPCSA-N 1 0 113.160 0.123 50 0 ACAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1CO 4262063 169280520 /nfs/dbraw/zinc/28/05/20/169280520.db2.gz PDEGCYLJROJFDB-CWKFCGSDSA-N 1 0 139.198 0.128 50 0 ACAARO [NH3+][C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 100055908 169280612 /nfs/dbraw/zinc/28/06/12/169280612.db2.gz HMPCLMSUNVOZLH-PVKPMHLGSA-N 1 0 167.252 0.885 50 0 ACAARO [NH3+][C@H]1c2ccccc2CC[C@@H]1O 6535949 169280677 /nfs/dbraw/zinc/28/06/77/169280677.db2.gz NBUGQUVHXNWCTQ-UWVGGRQHSA-N 1 0 163.220 0.994 50 0 in-vitro ACAARO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@H]1CO 43771877 169280743 /nfs/dbraw/zinc/28/07/43/169280743.db2.gz QGMMKSUHQMVLRO-CWKFCGSDSA-N 1 0 141.214 0.352 50 0 ACAARO [NH3+][C@H]1[C@H]2CCCC[C@H]2C[C@H]1O 247691915 169280849 /nfs/dbraw/zinc/28/08/49/169280849.db2.gz WLWLJSCPMJUGAL-MAUMQABQSA-N 1 0 155.241 0.885 50 0 ACAARO N[C@H]1c2ccccc2C[C@H]1[NH3+] 38282090 169280861 /nfs/dbraw/zinc/28/08/61/169280861.db2.gz WDXURXJYTUFEPX-BDAKNGLRSA-N 1 0 148.209 0.570 50 0 ACAARO N[C@]1(C(F)(F)F)C[NH+]2CCC1CC2 82670942 169280892 /nfs/dbraw/zinc/28/08/92/169280892.db2.gz ITMFNIVBGBVCAR-SSDOTTSWSA-N 1 0 194.200 0.972 50 0 ACAARO [NH3+][C@H]1c2ccccc2OC[C@H]1O 72232970 169280972 /nfs/dbraw/zinc/28/09/72/169280972.db2.gz JVPRWKWUBCZNJO-APPZFPTMSA-N 1 0 165.192 0.440 50 0 ACAARO [NH3+][C@H]1c2ccccc2C[C@H]1O 154811 169281008 /nfs/dbraw/zinc/28/10/08/169281008.db2.gz LOPKSXMQWBYUOI-BDAKNGLRSA-N 1 0 149.193 0.603 50 0 in-vitro ACAARO [NH3+][C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2 2559038 169281039 /nfs/dbraw/zinc/28/10/39/169281039.db2.gz QGMMKSUHQMVLRO-FKSUSPILSA-N 1 0 141.214 0.352 50 0 ACAARO [NH3+][C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1CO 4262064 169281068 /nfs/dbraw/zinc/28/10/68/169281068.db2.gz PDEGCYLJROJFDB-OSMVPFSASA-N 1 0 139.198 0.128 50 0 ACAARO [NH3+][C@H]1[C@H]2CCC[C@@H]12 104642765 169281463 /nfs/dbraw/zinc/28/14/63/169281463.db2.gz JJGAHPCJQQSLTL-FPFOFBBKSA-N 1 0 97.161 0.744 50 0 ACAARO [NH3+][C@H]1c2ccccc2CC[C@H]1O 6535956 169281500 /nfs/dbraw/zinc/28/15/00/169281500.db2.gz NBUGQUVHXNWCTQ-ZJUUUORDSA-N 1 0 163.220 0.994 50 0 in-vitro ACAARO [NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO 12953470 169281520 /nfs/dbraw/zinc/28/15/20/169281520.db2.gz QGMMKSUHQMVLRO-OSMVPFSASA-N 1 0 141.214 0.352 50 0 ACAARO [NH3+][C@H]1c2ccccc2C[C@H]1CO 32099001 169281550 /nfs/dbraw/zinc/28/15/50/169281550.db2.gz NUYCSMIPFIJMQL-WCBMZHEXSA-N 1 0 163.220 0.851 50 0 in-vitro ACAARO [NH3+][C@H]1c2ccccc2C[C@@H]1O 154813 169281684 /nfs/dbraw/zinc/28/16/84/169281684.db2.gz LOPKSXMQWBYUOI-IUCAKERBSA-N 1 0 149.193 0.603 50 0 in-vitro ACAARO [NH3+][C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 100006416 169281689 /nfs/dbraw/zinc/28/16/89/169281689.db2.gz HMPCLMSUNVOZLH-LZNWETSPSA-N 1 0 167.252 0.885 50 0 ACAARO [NH3+][C@]1(CO)CCOc2ccccc21 38124422 169282112 /nfs/dbraw/zinc/28/21/12/169282112.db2.gz ZOIFHRNZUASICF-JTQLQIEISA-N 1 0 179.219 0.615 50 0 in-vitro ACAARO N[C@]1(c2ccccc2)CC[NH2+]C1 34303944 169282145 /nfs/dbraw/zinc/28/21/45/169282145.db2.gz FKZSGLDYUYQPLW-SNVBAGLBSA-N 1 0 162.236 0.834 50 0 in-vitro ACAARO [NH3+][C@]1(CO)CCc2ccccc21 38124549 169282214 /nfs/dbraw/zinc/28/22/14/169282214.db2.gz SHSCRKXSHFWZSL-JTQLQIEISA-N 1 0 163.220 0.779 50 0 ACAARO [NH3+]C1C(=S)N=CNC1=S 25492029 169283378 /nfs/dbraw/zinc/28/33/78/169283378.db2.gz GAOXXCQGXVGDDU-UHFFFAOYSA-N 1 0 159.239 0.636 50 0 ACAARO Nc1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 71859357 169283871 /nfs/dbraw/zinc/28/38/71/169283871.db2.gz XJQHOKYYDLMVTI-UHFFFAOYSA-N 1 0 194.238 0.080 50 0 ACAARO Nc1cc(-n2cccn2)cc[nH+]1 72192445 169284026 /nfs/dbraw/zinc/28/40/26/169284026.db2.gz ZTKJAUMUNNGHDM-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 ACAARO Nc1cc(C2CC[NH2+]CC2)[nH]n1 38343288 169284742 /nfs/dbraw/zinc/28/47/42/169284742.db2.gz VIUKMNKXXJAZLD-UHFFFAOYSA-N 1 0 166.228 0.459 50 0 in-vitro ACAARO Nc1cc(Cl)cc(N)[nH+]1 31628190 169286440 /nfs/dbraw/zinc/28/64/40/169286440.db2.gz QUCTYZZZALATJO-UHFFFAOYSA-N 1 0 143.577 0.899 50 0 in-vitro ACAARO Nc1cc(F)cc(N)[nH+]1 72230949 169286512 /nfs/dbraw/zinc/28/65/12/169286512.db2.gz HVYSZPRLOPSEJQ-UHFFFAOYSA-N 1 0 127.122 0.385 50 0 ACAARO Nc1cc2c(cn1)OCCC2 82408406 169288360 /nfs/dbraw/zinc/28/83/60/169288360.db2.gz WFPUNJLMUCNNNP-UHFFFAOYSA-N 1 0 150.181 0.989 50 0 ACAARO Nc1cc2nccn2cn1 18559914 169289318 /nfs/dbraw/zinc/28/93/18/169289318.db2.gz CUIUAAJPJLQXAK-UHFFFAOYSA-N 1 0 134.142 0.312 50 0 ACAARO Nc1ccc(C2=[NH+]CCN2)cc1 1686917 169291020 /nfs/dbraw/zinc/29/10/20/169291020.db2.gz HSJPRHDSBNINIJ-UHFFFAOYSA-N 1 0 161.208 0.619 50 0 in-vitro ACAARO Nc1ccc(C2=[NH+]CCN2)cn1 16123879 169291718 /nfs/dbraw/zinc/29/17/18/169291718.db2.gz OQNXJRHACUNVJJ-UHFFFAOYSA-N 1 0 162.196 0.014 50 0 ACAARO Nc1ccc(C2=[NH+]CCCN2)cn1 25723942 169291751 /nfs/dbraw/zinc/29/17/51/169291751.db2.gz MQUKWIXXEYVBMH-UHFFFAOYSA-N 1 0 176.223 0.404 50 0 in-vitro ACAARO Nc1ccc([C@H]([NH3+])CCO)cc1 12648153 169293937 /nfs/dbraw/zinc/29/39/37/169293937.db2.gz SCFUGEWKEVDJDU-SECBINFHSA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1ccc([C@@H]([NH3+])CCO)cc1 12648148 169294174 /nfs/dbraw/zinc/29/41/74/169294174.db2.gz SCFUGEWKEVDJDU-VIFPVBQESA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1ccc2c(c1)C[NH2+]CCN2 12650560 169294364 /nfs/dbraw/zinc/29/43/64/169294364.db2.gz GIRWLCALFPKOHC-UHFFFAOYSA-N 1 0 163.224 0.784 50 0 ACAARO Nc1ccc2c(c1)CC[NH2+]C2 4204303 169294445 /nfs/dbraw/zinc/29/44/45/169294445.db2.gz SAAFIVJVSQVSSW-UHFFFAOYSA-N 1 0 148.209 0.915 50 0 in-vitro ACAARO Nc1ccc2c(c1)C[NH2+]CC2 13782654 169294823 /nfs/dbraw/zinc/29/48/23/169294823.db2.gz VMEDBFRQSKKEEQ-UHFFFAOYSA-N 1 0 148.209 0.915 50 0 in-vitro ACAARO Nc1ccc2c(n1)CC[NH2+]C2 35176881 169294978 /nfs/dbraw/zinc/29/49/78/169294978.db2.gz ZRQZNYOLOXKRCI-UHFFFAOYSA-N 1 0 149.197 0.310 50 0 in-vitro ACAARO Nc1ccc2c(c1)C[NH2+]C2 18531833 169295019 /nfs/dbraw/zinc/29/50/19/169295019.db2.gz YTIFSHPDDSIFRO-UHFFFAOYSA-N 1 0 134.182 0.872 50 0 in-vitro ACAARO Nc1ccc2c(c1)NCC[NH2+]C2 12650552 169295137 /nfs/dbraw/zinc/29/51/37/169295137.db2.gz PARDOACEHOFKBI-UHFFFAOYSA-N 1 0 163.224 0.784 50 0 in-vitro ACAARO Nc1ccc2[nH+]ccn2c1 18555973 169295426 /nfs/dbraw/zinc/29/54/26/169295426.db2.gz FBEUDMIHYYXAJG-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 in-vitro ACAARO Nc1ccc2c[nH+]cn2c1 18555953 169295431 /nfs/dbraw/zinc/29/54/31/169295431.db2.gz MAQRZYJEPIQSFZ-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 ACAARO Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 61709676 169296275 /nfs/dbraw/zinc/29/62/75/169296275.db2.gz QIAXXHVLJQQATR-LLVKDONJSA-N 1 0 192.262 0.835 50 0 in-vitro ACAARO Nc1cccc(CN2CC[NH2+]CC2)c1 39115504 169296379 /nfs/dbraw/zinc/29/63/79/169296379.db2.gz WQJUXLSPLDPDDF-UHFFFAOYSA-N 1 0 191.278 0.674 50 0 in-vitro ACAARO Nc1cccc([C@@H]([NH3+])CCO)c1 12648157 169296558 /nfs/dbraw/zinc/29/65/58/169296558.db2.gz UPGSIHAGFMXTAR-VIFPVBQESA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 61709675 169296605 /nfs/dbraw/zinc/29/66/05/169296605.db2.gz QIAXXHVLJQQATR-NSHDSACASA-N 1 0 192.262 0.835 50 0 in-vitro ACAARO Nc1cccc(C2=[NH+]CCN2)c1 73659 169297002 /nfs/dbraw/zinc/29/70/02/169297002.db2.gz HCJAVYDERMMIDO-UHFFFAOYSA-N 1 0 161.208 0.619 50 0 ACAARO Nc1cccc(N)[nH+]1 333587 169297169 /nfs/dbraw/zinc/29/71/69/169297169.db2.gz VHNQIURBCCNWDN-UHFFFAOYSA-N 1 0 109.132 0.246 50 0 in-vitro ACAARO Nc1cccc([C@H]([NH3+])CCO)c1 12648161 169297337 /nfs/dbraw/zinc/29/73/37/169297337.db2.gz UPGSIHAGFMXTAR-SECBINFHSA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1cccc([C@H]2C[NH2+]CCN2)c1 39114029 169297471 /nfs/dbraw/zinc/29/74/71/169297471.db2.gz DWGPGDDOMABLQW-SNVBAGLBSA-N 1 0 177.251 0.503 50 0 ACAARO Nc1cccc([C@@H]2C[NH2+]CCN2)c1 39114028 169297505 /nfs/dbraw/zinc/29/75/05/169297505.db2.gz DWGPGDDOMABLQW-JTQLQIEISA-N 1 0 177.251 0.503 50 0 ACAARO Nc1cccc2c1CC[NH2+]C2 12958084 169297562 /nfs/dbraw/zinc/29/75/62/169297562.db2.gz ZSHCQIHYOFRGNI-UHFFFAOYSA-N 1 0 148.209 0.915 50 0 in-vitro ACAARO Nc1cccc2c[nH+]cn12 98179705 169297709 /nfs/dbraw/zinc/29/77/09/169297709.db2.gz QQSATNYMMQZPGR-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 in-vitro ACAARO Nc1cccc2c1C[NH2+]CC2 24624354 169297806 /nfs/dbraw/zinc/29/78/06/169297806.db2.gz GIIQUGGTGRRQEN-UHFFFAOYSA-N 1 0 148.209 0.915 50 0 in-vitro ACAARO Nc1cccc2c1C[NH2+]C2 34368316 169298098 /nfs/dbraw/zinc/29/80/98/169298098.db2.gz JVJUKIGIRZNFFY-UHFFFAOYSA-N 1 0 134.182 0.872 50 0 in-vitro ACAARO Nc1ccccc1C1=[NH+]CCN1 20216353 169298922 /nfs/dbraw/zinc/29/89/22/169298922.db2.gz OCYKYFNPSYFWPB-UHFFFAOYSA-N 1 0 161.208 0.619 50 0 ACAARO Nc1ccccc1[C@@H]([NH3+])CCO 12648165 169298946 /nfs/dbraw/zinc/29/89/46/169298946.db2.gz GFFPCBOESULXHQ-VIFPVBQESA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1ccccc1[C@H]([NH3+])CCO 12648168 169299020 /nfs/dbraw/zinc/29/90/20/169299020.db2.gz GFFPCBOESULXHQ-SECBINFHSA-N 1 0 166.224 0.651 50 0 in-vitro ACAARO Nc1ccn(-c2cc[nH+]cc2)n1 40516785 169299197 /nfs/dbraw/zinc/29/91/97/169299197.db2.gz MLFSNFJRILWAGF-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 in-vitro ACAARO Nc1cccn2c[nH+]cc12 39078013 169299210 /nfs/dbraw/zinc/29/92/10/169299210.db2.gz INLFZTRHTAKIMI-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 ACAARO Nc1ccc[nH+]c1N 19074690 169299251 /nfs/dbraw/zinc/29/92/51/169299251.db2.gz ZZYXNRREDYWPLN-UHFFFAOYSA-N 1 0 109.132 0.246 50 0 in-vitro ACAARO Nc1cc[nH+]c(CO)c1 35569709 169299255 /nfs/dbraw/zinc/29/92/55/169299255.db2.gz ZBKZWFGHOALGNP-UHFFFAOYSA-N 1 0 124.143 0.156 50 0 in-vitro ACAARO Nc1cc[nH+]c(-n2ccnc2)c1 43569330 169299489 /nfs/dbraw/zinc/29/94/89/169299489.db2.gz CICXYUAWOQNPNM-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 ACAARO Nc1cc[nH+]c(N)c1 1846657 169299868 /nfs/dbraw/zinc/29/98/68/169299868.db2.gz IFFLKGMDBKQMAH-UHFFFAOYSA-N 1 0 109.132 0.246 50 0 in-vitro ACAARO Nc1ccn(CCC[NH+]2CCCC2)n1 49332781 169299925 /nfs/dbraw/zinc/29/99/25/169299925.db2.gz VLIIOALGIBENKI-UHFFFAOYSA-N 1 0 194.282 0.951 50 0 in-vitro ACAARO Nc1cc[nH+]cc1 599985 169300417 /nfs/dbraw/zinc/30/04/17/169300417.db2.gz NUKYPUAOHBNCPY-UHFFFAOYSA-N 1 0 94.117 0.664 50 0 aggregator,biogenic,fda ACAARO Nc1ccnn1-c1cc[nH+]cc1 35779358 169300507 /nfs/dbraw/zinc/30/05/07/169300507.db2.gz DLTALKKLSLUOPY-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 in-vitro ACAARO Nc1cc[nH+]cc1O 2388372 169300858 /nfs/dbraw/zinc/30/08/58/169300858.db2.gz DBDKLFOUWUHPDW-UHFFFAOYSA-N 1 0 110.116 0.369 50 0 world ACAARO Nc1cc[nH+]cc1C=O 1495001 169300907 /nfs/dbraw/zinc/30/09/07/169300907.db2.gz GTPZHMGXKZIHKW-UHFFFAOYSA-N 1 0 122.127 0.476 50 0 in-vitro ACAARO Nc1cc[nH+]cc1CO 4352674 169300966 /nfs/dbraw/zinc/30/09/66/169300966.db2.gz WNBVEYMTVDMSFZ-UHFFFAOYSA-N 1 0 124.143 0.156 50 0 in-vitro ACAARO Nc1cc[nH+]cc1N 164000 169301100 /nfs/dbraw/zinc/30/11/00/169301100.db2.gz OYTKINVCDFNREN-UHFFFAOYSA-N 1 0 109.132 0.246 50 0 world ACAARO Nc1ccnn1C1CC[NH2+]CC1 818977 169301165 /nfs/dbraw/zinc/30/11/65/169301165.db2.gz ASLYKKYZWBQKLZ-UHFFFAOYSA-N 1 0 166.228 0.390 50 0 ACAARO Nc1cc[nH+]n2cccc12 72194110 169301209 /nfs/dbraw/zinc/30/12/09/169301209.db2.gz RZDNUSWOUZKGEC-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 ACAARO Nc1c[nH+]c2ccccn12 5386220 169301707 /nfs/dbraw/zinc/30/17/07/169301707.db2.gz RTOFMMILZZGGNS-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 in-vitro ACAARO Nc1cnc2c(c1)CC[NH2+]C2 211843570 169301899 /nfs/dbraw/zinc/30/18/99/169301899.db2.gz IJADYESGCIQYJE-UHFFFAOYSA-N 1 0 149.197 0.310 50 0 ACAARO Nc1cnc2c(c1)C[NH2+]CC2 45028265 169301979 /nfs/dbraw/zinc/30/19/79/169301979.db2.gz MANOVAGPFVXCPN-UHFFFAOYSA-N 1 0 149.197 0.310 50 0 ACAARO Nc1c[nH+]c2n1CCCC2 19091410 169302004 /nfs/dbraw/zinc/30/20/04/169302004.db2.gz UEFVKXYRGZDERM-UHFFFAOYSA-N 1 0 137.186 0.802 50 0 ACAARO Nc1c[nH+]c2n1CCC2 106716559 169302215 /nfs/dbraw/zinc/30/22/15/169302215.db2.gz OWZUESWAMPZZOV-UHFFFAOYSA-N 1 0 123.159 0.412 50 0 ACAARO Nc1c[nH+]cc(Cl)c1N 39325636 169302504 /nfs/dbraw/zinc/30/25/04/169302504.db2.gz MRKXLZNVFZMVML-UHFFFAOYSA-N 1 0 143.577 0.899 50 0 in-vitro ACAARO Nc1cnn(C2CC[NH2+]CC2)c1 83119310 169302538 /nfs/dbraw/zinc/30/25/38/169302538.db2.gz JPOSFUVFOJECKE-UHFFFAOYSA-N 1 0 166.228 0.390 50 0 ACAARO Nc1cnn(-c2cc[nH+]cc2)c1 31560699 169302554 /nfs/dbraw/zinc/30/25/54/169302554.db2.gz GNJNONLBGNMHGV-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 in-vitro ACAARO Nc1c[nH+]ccc1-n1ccnn1 225571653 169302564 /nfs/dbraw/zinc/30/25/64/169302564.db2.gz FXHAULYRUGTLES-UHFFFAOYSA-N 1 0 161.168 0.245 50 0 ACAARO Nc1cnn(C[C@@H]2CCCC[NH2+]2)c1 97053757 169302642 /nfs/dbraw/zinc/30/26/42/169302642.db2.gz WEPLGETXCSLWIF-VIFPVBQESA-N 1 0 180.255 0.607 50 0 in-vitro ACAARO Nc1c[nH+]ccc1-n1ccnc1 20370476 169302887 /nfs/dbraw/zinc/30/28/87/169302887.db2.gz KLZGMGOCHJUGBZ-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 in-vitro ACAARO Nc1c[nH+]ccc1NCCO 2240201 169302932 /nfs/dbraw/zinc/30/29/32/169302932.db2.gz MKFUJNJNKHEQTE-UHFFFAOYSA-N 1 0 153.185 0.068 50 0 in-vitro ACAARO Nc1c[nH+]ccc1-n1cccn1 20370482 169302944 /nfs/dbraw/zinc/30/29/44/169302944.db2.gz OFDKULOZRHMIAO-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 in-vitro ACAARO Nc1cnn(CC[NH+]2CCCCC2)c1 11920290 169303127 /nfs/dbraw/zinc/30/31/27/169303127.db2.gz GPRKMRZDNYXLKF-UHFFFAOYSA-N 1 0 194.282 0.951 50 0 in-vitro ACAARO Nc1cnn(C[C@H]2CCCC[NH2+]2)c1 97053764 169303619 /nfs/dbraw/zinc/30/36/19/169303619.db2.gz WEPLGETXCSLWIF-SECBINFHSA-N 1 0 180.255 0.607 50 0 in-vitro ACAARO Nc1[nH]cc(C2CC2)[nH+]1 42684308 169304234 /nfs/dbraw/zinc/30/42/34/169304234.db2.gz LHDVWRMWQJIACV-UHFFFAOYSA-N 1 0 123.159 0.869 50 0 in-vitro ACAARO Nc1n[nH]c(C2CCC([NH3+])CC2)n1 41050626 169305107 /nfs/dbraw/zinc/30/51/07/169305107.db2.gz VKBMFAZUPSFFPQ-UHFFFAOYSA-N 1 0 181.243 0.372 50 0 in-vitro ACAARO Nc1nc(N)c2c([nH+]1)CCC2 355522 169305393 /nfs/dbraw/zinc/30/53/93/169305393.db2.gz LBVFBTXAZCVARY-UHFFFAOYSA-N 1 0 150.185 0.130 50 0 biogenic ACAARO Nc1nc2[nH]ccc2c(N)[nH+]1 38582382 169306186 /nfs/dbraw/zinc/30/61/86/169306186.db2.gz XVTARVYKZCLFGX-UHFFFAOYSA-N 1 0 149.157 0.122 50 0 ACAARO Nc1nc(N)c2c([nH+]1)CCCC2 3898886 169306195 /nfs/dbraw/zinc/30/61/95/169306195.db2.gz ILYYGQJVLQUTAM-UHFFFAOYSA-N 1 0 164.212 0.520 50 0 ACAARO Nc1[nH]c2c([nH+]1)CCCC2 31891106 169306425 /nfs/dbraw/zinc/30/64/25/169306425.db2.gz OEGHVQOUVYCTII-UHFFFAOYSA-N 1 0 137.186 0.871 50 0 ACAARO Nc1nc([C@H]2CCC[NH2+]C2)cc(=O)[nH]1 72343348 169306479 /nfs/dbraw/zinc/30/64/79/169306479.db2.gz HNPNGGJHCPVGNU-LURJTMIESA-N 1 0 194.238 0.231 50 0 ACAARO Nc1[nH]c2cc(CO)ccc2[nH+]1 39335000 169306512 /nfs/dbraw/zinc/30/65/12/169306512.db2.gz HXSBQFFQWWHYRZ-UHFFFAOYSA-N 1 0 163.180 0.637 50 0 ACAARO Nc1[nH]c2ccc(O)cc2[nH+]1 5117282 169306612 /nfs/dbraw/zinc/30/66/12/169306612.db2.gz FNSYWIPPPFVBAV-UHFFFAOYSA-N 1 0 149.153 0.851 50 0 in-vivo ACAARO Nc1nc2c(s1)C[C@H]([NH3+])CC2 12650538 169306832 /nfs/dbraw/zinc/30/68/32/169306832.db2.gz DRRYZHHKWSHHFT-SCSAIBSYSA-N 1 0 169.253 0.541 50 0 biogenic,in-vitro ACAARO Nc1nc2c(s1)C[NH2+]CC2 15042492 169307086 /nfs/dbraw/zinc/30/70/86/169307086.db2.gz YYZRTZLOUDOIGR-UHFFFAOYSA-N 1 0 155.226 0.371 50 0 in-vitro ACAARO Nc1[nH]c2cc3c(cc2[nH+]1)OCO3 199674131 169307121 /nfs/dbraw/zinc/30/71/21/169307121.db2.gz WOIHSHXQQGYBGM-UHFFFAOYSA-N 1 0 177.163 0.874 50 0 ACAARO Nc1nc2c(s1)C[C@@H]([NH3+])CC2 12650535 169307374 /nfs/dbraw/zinc/30/73/74/169307374.db2.gz DRRYZHHKWSHHFT-BYPYZUCNSA-N 1 0 169.253 0.541 50 0 biogenic,in-vitro ACAARO Nc1nc([C@@H]2CCC[NH2+]C2)cc(=O)[nH]1 72343347 169307424 /nfs/dbraw/zinc/30/74/24/169307424.db2.gz HNPNGGJHCPVGNU-ZCFIWIBFSA-N 1 0 194.238 0.231 50 0 ACAARO Nc1[nH+]cc2sccn12 82522309 169308462 /nfs/dbraw/zinc/30/84/62/169308462.db2.gz TYKZEKKKLRWYAO-UHFFFAOYSA-N 1 0 139.183 0.978 50 0 ACAARO Nc1nccc([C@@H]2CC[NH2+]C2)n1 72344473 169308518 /nfs/dbraw/zinc/30/85/18/169308518.db2.gz GTXVVUOOEODRKX-ZCFIWIBFSA-N 1 0 164.212 0.136 50 0 ACAARO Nc1nccc([C@H]2CCC[NH2+]C2)n1 43673925 169308542 /nfs/dbraw/zinc/30/85/42/169308542.db2.gz QFNXYDKPFRKFSF-ZETCQYMHSA-N 1 0 178.239 0.526 50 0 in-vitro ACAARO Nc1nccc([C@@H]2CCCC[NH2+]2)n1 43673887 169308570 /nfs/dbraw/zinc/30/85/70/169308570.db2.gz UHUZDDYRARRRRT-ZETCQYMHSA-N 1 0 178.239 0.873 50 0 ACAARO Nc1nccc(C2CC[NH2+]CC2)n1 43673958 169308602 /nfs/dbraw/zinc/30/86/02/169308602.db2.gz FAWKNCWEOCFRFV-UHFFFAOYSA-N 1 0 178.239 0.526 50 0 ACAARO Nc1nccc([C@H]2CCC[NH2+]2)n1 43673840 169308655 /nfs/dbraw/zinc/30/86/55/169308655.db2.gz JFWCVNMHIGHJRV-ZCFIWIBFSA-N 1 0 164.212 0.483 50 0 in-vitro ACAARO Nc1nc2[nH]ccc2c[nH+]1 18554478 169308683 /nfs/dbraw/zinc/30/86/83/169308683.db2.gz YVVMIGRXQRPSIY-UHFFFAOYSA-N 1 0 134.142 0.540 50 0 in-vitro ACAARO Nc1[nH+]cc2n1CCC2 82835749 169308686 /nfs/dbraw/zinc/30/86/86/169308686.db2.gz MOFUHNVZOPMOHQ-UHFFFAOYSA-N 1 0 123.159 0.412 50 0 in-vitro ACAARO Nc1nccc2c1C[NH2+]CC2 24624522 169308697 /nfs/dbraw/zinc/30/86/97/169308697.db2.gz AOLGPUHMHFJSJQ-UHFFFAOYSA-N 1 0 149.197 0.310 50 0 in-vitro ACAARO Nc1nccc([C@H]2CCCC[NH2+]2)n1 43673888 169308737 /nfs/dbraw/zinc/30/87/37/169308737.db2.gz UHUZDDYRARRRRT-SSDOTTSWSA-N 1 0 178.239 0.873 50 0 ACAARO Nc1[nH+]cc2ccccn12 25936485 169309027 /nfs/dbraw/zinc/30/90/27/169309027.db2.gz OORCQSFGAVPLKU-UHFFFAOYSA-N 1 0 133.154 0.917 50 0 ACAARO Nc1nccc([C@@H]2CCC[NH2+]C2)n1 43673923 169309224 /nfs/dbraw/zinc/30/92/24/169309224.db2.gz QFNXYDKPFRKFSF-SSDOTTSWSA-N 1 0 178.239 0.526 50 0 in-vitro ACAARO Nc1nccc([C@@H]2CCC[NH2+]2)n1 43673838 169309390 /nfs/dbraw/zinc/30/93/90/169309390.db2.gz JFWCVNMHIGHJRV-LURJTMIESA-N 1 0 164.212 0.483 50 0 in-vitro ACAARO Nc1nccc([C@H]2CC[NH2+]C2)n1 72344474 169309431 /nfs/dbraw/zinc/30/94/31/169309431.db2.gz GTXVVUOOEODRKX-LURJTMIESA-N 1 0 164.212 0.136 50 0 ACAARO Nc1[nH+]cnc2[nH]ccc12 13518237 169309480 /nfs/dbraw/zinc/30/94/80/169309480.db2.gz PEHVGBZKEYRQSX-UHFFFAOYSA-N 1 0 134.142 0.540 50 0 in-vitro ACAARO Nc1[nH+]ccn1Cc1cccnc1 37483188 169309548 /nfs/dbraw/zinc/30/95/48/169309548.db2.gz OOXUSZGSXMLZNE-UHFFFAOYSA-N 1 0 174.207 0.909 50 0 ACAARO Nc1[nH+]ccn1-c1ccccn1 75843681 169309629 /nfs/dbraw/zinc/30/96/29/169309629.db2.gz HSPSAYDQWHMTQW-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 ACAARO Nc1[nH+]ccn1[C@@H]1CCOC1 96029475 169309734 /nfs/dbraw/zinc/30/97/34/169309734.db2.gz KPRKUSDMCPHQQZ-ZCFIWIBFSA-N 1 0 153.185 0.427 50 0 ACAARO Nc1[nH+]ccn1C1CC1 75843666 169309811 /nfs/dbraw/zinc/30/98/11/169309811.db2.gz USCWQOHKTHMBHG-UHFFFAOYSA-N 1 0 123.159 0.800 50 0 ACAARO Nc1ncn(-c2cc[nH+]cc2)n1 40516919 169310020 /nfs/dbraw/zinc/31/00/20/169310020.db2.gz LDNUNVWEKYHLHA-UHFFFAOYSA-N 1 0 161.168 0.245 50 0 in-vitro ACAARO Nc1[nH+]ccn1Cc1ccccn1 37483152 169310028 /nfs/dbraw/zinc/31/00/28/169310028.db2.gz IJZORTFIPUTJBO-UHFFFAOYSA-N 1 0 174.207 0.909 50 0 ACAARO Nc1[nH+]ccn1Cc1ccncc1 37483193 169310129 /nfs/dbraw/zinc/31/01/29/169310129.db2.gz ZKMLEGFZHWINAZ-UHFFFAOYSA-N 1 0 174.207 0.909 50 0 ACAARO Nc1[nH+]ccn1CC1CCOCC1 52176012 169310203 /nfs/dbraw/zinc/31/02/03/169310203.db2.gz PFIBVIYERZIZEK-UHFFFAOYSA-N 1 0 181.239 0.892 50 0 in-vitro ACAARO Nc1[nH+]ccn1-c1cccnc1 98213824 169310324 /nfs/dbraw/zinc/31/03/24/169310324.db2.gz NTCBRWIFXAIXAC-UHFFFAOYSA-N 1 0 160.180 0.850 50 0 ACAARO Nc1[nH+]ccn1C1CCOCC1 96029503 169310362 /nfs/dbraw/zinc/31/03/62/169310362.db2.gz YQYMODZXZKTYIT-UHFFFAOYSA-N 1 0 167.212 0.817 50 0 ACAARO Nc1[nH+]ccn1[C@H]1CCOC1 96029476 169310425 /nfs/dbraw/zinc/31/04/25/169310425.db2.gz KPRKUSDMCPHQQZ-LURJTMIESA-N 1 0 153.185 0.427 50 0 ACAARO Nc1nnc([C@H]2CCC[NH2+]2)s1 4234802 169310638 /nfs/dbraw/zinc/31/06/38/169310638.db2.gz ADKPDJODVUTEIT-SCSAIBSYSA-N 1 0 170.241 0.545 50 0 in-vitro ACAARO Nc1nnc([C@@H]2CCCC[NH2+]2)s1 4234707 169310683 /nfs/dbraw/zinc/31/06/83/169310683.db2.gz IPNDDECEUVZBTN-YFKPBYRVSA-N 1 0 184.268 0.935 50 0 in-vitro ACAARO Nc1nnc([C@H]2CCC[NH2+]2)o1 82522489 169310738 /nfs/dbraw/zinc/31/07/38/169310738.db2.gz INDUAQSDCUZBAA-SCSAIBSYSA-N 1 0 154.173 0.076 50 0 ACAARO Nc1nnc([C@@H]2CCC[NH2+]C2)o1 82529120 169310974 /nfs/dbraw/zinc/31/09/74/169310974.db2.gz FMTKZODDFPDVLH-RXMQYKEDSA-N 1 0 168.200 0.119 50 0 ACAARO Nc1nnc(C2CC[NH2+]CC2)o1 32628148 169310985 /nfs/dbraw/zinc/31/09/85/169310985.db2.gz HPXIXGJFHKTMJI-UHFFFAOYSA-N 1 0 168.200 0.119 50 0 in-vitro ACAARO Nc1nnc([C@@H]2CCC[NH2+]2)o1 82522490 169311086 /nfs/dbraw/zinc/31/10/86/169311086.db2.gz INDUAQSDCUZBAA-BYPYZUCNSA-N 1 0 154.173 0.076 50 0 ACAARO Nc1nnc([C@@H]2CCC[NH2+]2)s1 4234803 169311293 /nfs/dbraw/zinc/31/12/93/169311293.db2.gz ADKPDJODVUTEIT-BYPYZUCNSA-N 1 0 170.241 0.545 50 0 in-vitro ACAARO Nc1nnc(C2CC[NH2+]CC2)s1 2533976 169311327 /nfs/dbraw/zinc/31/13/27/169311327.db2.gz KESVFQUWHKHBOI-UHFFFAOYSA-N 1 0 184.268 0.587 50 0 in-vitro ACAARO Nc1nnc(CC[NH+]2CCCC2)s1 4502611 169311361 /nfs/dbraw/zinc/31/13/61/169311361.db2.gz QNKZCBMXVDBJOA-UHFFFAOYSA-N 1 0 198.295 0.759 50 0 in-vitro ACAARO Nc1nnc([C@H]2CCC[NH2+]C2)o1 82529119 169311364 /nfs/dbraw/zinc/31/13/64/169311364.db2.gz FMTKZODDFPDVLH-YFKPBYRVSA-N 1 0 168.200 0.119 50 0 ACAARO Nc1nnc([C@H]2CCCC[NH2+]2)s1 2533977 169311423 /nfs/dbraw/zinc/31/14/23/169311423.db2.gz IPNDDECEUVZBTN-RXMQYKEDSA-N 1 0 184.268 0.935 50 0 in-vitro ACAARO O=C(C1CC1)N1CCC[NH2+]CC1 19679922 169316366 /nfs/dbraw/zinc/31/63/66/169316366.db2.gz JPUWPSGQGXHCGW-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO O=C(C1CCCC1)N1CC[NH2+]CC1 20281575 169316883 /nfs/dbraw/zinc/31/68/83/169316883.db2.gz CJQGSTFFFNJNMC-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 in-vitro ACAARO O=C(CC(F)(F)F)N[C@@H]1CC[NH2+]C1 36287002 169316987 /nfs/dbraw/zinc/31/69/87/169316987.db2.gz MJRGNMIPXMVHHD-RXMQYKEDSA-N 1 0 196.172 0.417 50 0 in-vitro ACAARO O=C(CC(F)(F)F)N1CC[NH2+]CC1 22148031 169316993 /nfs/dbraw/zinc/31/69/93/169316993.db2.gz RUISULBDMIMYAZ-UHFFFAOYSA-N 1 0 196.172 0.371 50 0 in-vitro ACAARO O=C(CC1CC1)N1CC[NH2+]CC1 49728566 169317094 /nfs/dbraw/zinc/31/70/94/169317094.db2.gz SOSJYTYNFONCIM-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 ACAARO O=C(CC1CC1)N[C@H]1CCC[NH2+]C1 49728955 169317188 /nfs/dbraw/zinc/31/71/88/169317188.db2.gz ITFOUUHNECAIMQ-VIFPVBQESA-N 1 0 182.267 0.655 50 0 ACAARO O=C(C1CC[NH2+]CC1)C1CC1 17766559 169317196 /nfs/dbraw/zinc/31/71/96/169317196.db2.gz VWHLYSMNXJLMIE-UHFFFAOYSA-N 1 0 153.225 0.965 50 0 in-vitro ACAARO O=C(C1CCCC1)N1CCC[NH2+]CC1 20282393 169317233 /nfs/dbraw/zinc/31/72/33/169317233.db2.gz IAKLBIUEDKQHMB-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 ACAARO O=C(CC(F)(F)F)N[C@H]1CC[NH2+]C1 36287003 169317350 /nfs/dbraw/zinc/31/73/50/169317350.db2.gz MJRGNMIPXMVHHD-YFKPBYRVSA-N 1 0 196.172 0.417 50 0 in-vitro ACAARO O=C(C1CC[NH2+]CC1)N1CCCCC1 2513492 169317360 /nfs/dbraw/zinc/31/73/60/169317360.db2.gz JFHHGGAQABVJIF-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C(CC1CC1)N[C@@H]1CCC[NH2+]C1 49728958 169317376 /nfs/dbraw/zinc/31/73/76/169317376.db2.gz ITFOUUHNECAIMQ-SECBINFHSA-N 1 0 182.267 0.655 50 0 ACAARO O=C(C1CCCCC1)N1CC[NH2+]CC1 12955304 169317453 /nfs/dbraw/zinc/31/74/53/169317453.db2.gz ZSZROXCAFYZNHE-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C(C1C[NH2+]C1)N1CCCCCC1 19686376 169317597 /nfs/dbraw/zinc/31/75/97/169317597.db2.gz DDQCYRFSJQQSKT-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 ACAARO O=C(C1CC[NH2+]CC1)N1CCCC1 4287446 169317599 /nfs/dbraw/zinc/31/75/99/169317599.db2.gz JQCRUYLUQJNZIC-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 in-vitro ACAARO O=C(C1C[NH2+]C1)N1CCCCC1 19685994 169317648 /nfs/dbraw/zinc/31/76/48/169317648.db2.gz OSAXHPAJGYAHNX-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 ACAARO O=C(CC1CC[NH2+]CC1)N1CCCC1 19424546 169318372 /nfs/dbraw/zinc/31/83/72/169318372.db2.gz OCNFACQIYAGJJE-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C(CC1CCCC1)N1CC[NH2+]CC1 20281565 169318378 /nfs/dbraw/zinc/31/83/78/169318378.db2.gz YANOVQCICLIJBB-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 ACAARO O=C(CC[NH2+]CCO)c1ccccc1 2454577 169318455 /nfs/dbraw/zinc/31/84/55/169318455.db2.gz WOKDIEGSCRUAHU-UHFFFAOYSA-N 1 0 193.246 0.841 50 0 ACAARO O=C(C[NH2+]C[C@H]1CCCO1)NC1CC1 4894554 169320099 /nfs/dbraw/zinc/32/00/99/169320099.db2.gz VRUPYWKKDZPWMV-SECBINFHSA-N 1 0 198.266 0.034 50 0 ACAARO O=C(C[NH2+]C1CC1)NC1CC1 19268176 169320737 /nfs/dbraw/zinc/32/07/37/169320737.db2.gz LDYLPWZAVVETOU-UHFFFAOYSA-N 1 0 154.213 0.017 50 0 in-vitro ACAARO O=C(C[NH2+]CCO)Nc1ccccc1 35101812 169320785 /nfs/dbraw/zinc/32/07/85/169320785.db2.gz LWIIKQLFXXPXFU-UHFFFAOYSA-N 1 0 194.234 0.207 50 0 in-vitro ACAARO O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC1 4894556 169320802 /nfs/dbraw/zinc/32/08/02/169320802.db2.gz VRUPYWKKDZPWMV-VIFPVBQESA-N 1 0 198.266 0.034 50 0 ACAARO O=C(C[NH+]1CCCC1)N1CCCC1 6690998 169320836 /nfs/dbraw/zinc/32/08/36/169320836.db2.gz OPNOEGDSEGKJMY-UHFFFAOYSA-N 1 0 182.267 0.705 50 0 ACAARO O=C(C[NH+]1CCCCC1)NC1CC1 5624777 169321062 /nfs/dbraw/zinc/32/10/62/169321062.db2.gz LDKWBCDTOUSICU-UHFFFAOYSA-N 1 0 182.267 0.751 50 0 ACAARO O=C(CN1CC[NH2+]CC1)c1ccco1 19673231 169321169 /nfs/dbraw/zinc/32/11/69/169321169.db2.gz NYCFEWFXXHEAFG-UHFFFAOYSA-N 1 0 194.234 0.368 50 0 in-vitro ACAARO O=C(COC1CC[NH2+]CC1)NC1CC1 12359779 169321836 /nfs/dbraw/zinc/32/18/36/169321836.db2.gz SNAHKIGYDOOZHZ-UHFFFAOYSA-N 1 0 198.266 0.034 50 0 in-vitro ACAARO O=C(C[C@@H]1COCC[NH2+]1)c1ccco1 78210660 169322086 /nfs/dbraw/zinc/32/20/86/169322086.db2.gz GYZCJDVHZYQKEU-MRVPVSSYSA-N 1 0 195.218 0.841 50 0 in-vitro ACAARO O=C(Cc1ccccc1)OC1C[NH2+]C1 42768734 169322665 /nfs/dbraw/zinc/32/26/65/169322665.db2.gz WMXQZZAXUAHASG-UHFFFAOYSA-N 1 0 191.230 0.744 50 0 ACAARO O=C(C[C@H]1COCC[NH2+]1)c1ccco1 78210661 169322761 /nfs/dbraw/zinc/32/27/61/169322761.db2.gz GYZCJDVHZYQKEU-QMMMGPOBSA-N 1 0 195.218 0.841 50 0 in-vitro ACAARO O=C(N1CCC[NH2+]CC1)C(F)(F)F 19092555 169324669 /nfs/dbraw/zinc/32/46/69/169324669.db2.gz YYHQTRXNMLTEBR-UHFFFAOYSA-N 1 0 196.172 0.371 50 0 in-vitro ACAARO O=C(N1CCCCC1)N1CC[NH2+]CC1 816567 169325051 /nfs/dbraw/zinc/32/50/51/169325051.db2.gz KYEVTVIFIFPALW-UHFFFAOYSA-N 1 0 197.282 0.498 50 0 in-vitro ACAARO O=C(NC1CC1)[C@H]1CCC[NH2+]1 19410195 169325755 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4287438 169361337 /nfs/dbraw/zinc/36/13/37/169361337.db2.gz OSZRYTYCKGZYLB-JTQLQIEISA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C(OC[C@H]1CC[NH2+]C1)C1CC1 42769218 169361375 /nfs/dbraw/zinc/36/13/75/169361375.db2.gz ASBCOKOKNJIWIP-ZETCQYMHSA-N 1 0 169.224 0.549 50 0 ACAARO O=C(O[C@H]1CC[NH2+]C1)c1ccncc1 42768335 169361414 /nfs/dbraw/zinc/36/14/14/169361414.db2.gz QDOIALQJBGRNGH-VIFPVBQESA-N 1 0 192.218 0.600 50 0 ACAARO O=C(OC[C@H]1CCC[NH2+]C1)C1CC1 42769178 169361416 /nfs/dbraw/zinc/36/14/16/169361416.db2.gz LVESGAFALXIVIV-QMMMGPOBSA-N 1 0 183.251 0.939 50 0 ACAARO O=C([C@H]1CCC[NH2+]1)N1CCCC1 19411026 169361454 /nfs/dbraw/zinc/36/14/54/169361454.db2.gz HDLWINONZUFKQV-MRVPVSSYSA-N 1 0 168.240 0.361 50 0 in-vitro ACAARO O=C([C@@H]1CCC[NH2+]1)N1CCCCC1 11754369 169361475 /nfs/dbraw/zinc/36/14/75/169361475.db2.gz VTWSMIPLWRXVEQ-VIFPVBQESA-N 1 0 182.267 0.751 50 0 in-vitro ACAARO O=C(O[C@H]1CC[NH2+]C1)C1CC1 42769228 169361481 /nfs/dbraw/zinc/36/14/81/169361481.db2.gz 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15635441 169363538 /nfs/dbraw/zinc/36/35/38/169363538.db2.gz HVPYRRBZJNYSJM-UHFFFAOYSA-N 1 0 194.234 0.715 50 0 in-vitro ACAARO O=C(c1cccnc1)N1CC[NH2+]CC1 251609 169363631 /nfs/dbraw/zinc/36/36/31/169363631.db2.gz VYSFCBZMPSKWOF-UHFFFAOYSA-N 1 0 191.234 0.127 50 0 in-vitro ACAARO O=C(c1ccncc1)N1CC[NH2+]CC1 4218870 169363732 /nfs/dbraw/zinc/36/37/32/169363732.db2.gz YLYAETTZHAUHNX-UHFFFAOYSA-N 1 0 191.234 0.127 50 0 in-vitro ACAARO O=C(c1ccoc1)N1CC[NH2+]CC1 20282500 169363898 /nfs/dbraw/zinc/36/38/98/169363898.db2.gz PQYHMMSELUVQFX-UHFFFAOYSA-N 1 0 180.207 0.325 50 0 in-vitro ACAARO O=C(c1ccco1)N1CCC[NH2+]CC1 19088623 169363959 /nfs/dbraw/zinc/36/39/59/169363959.db2.gz SDTBJQANMVJMSP-UHFFFAOYSA-N 1 0 194.234 0.715 50 0 in-vitro ACAARO O=C(c1ccsc1)N1CC[NH2+]CC1 20284265 169364008 /nfs/dbraw/zinc/36/40/08/169364008.db2.gz GOTAZYHBTVLKFD-UHFFFAOYSA-N 1 0 196.275 0.794 50 0 in-vitro ACAARO O=C(c1ccccn1)N1CC[NH2+]CC1 6118993 169364106 /nfs/dbraw/zinc/36/41/06/169364106.db2.gz 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O=C1CCC2=C(CC[NH2+]C2)N1 12505966 169369907 /nfs/dbraw/zinc/36/99/07/169369907.db2.gz WKFCIAVGFNKGSR-UHFFFAOYSA-N 1 0 152.197 0.144 50 0 ACAARO O=C1CCC2(CC[NH2+]CC2)O1 36533249 169369943 /nfs/dbraw/zinc/36/99/43/169369943.db2.gz SEUNTAIZLCAWDW-UHFFFAOYSA-N 1 0 155.197 0.446 50 0 in-vitro ACAARO O=C1CCCC2(CC[NH2+]CC2)N1 33414797 169370237 /nfs/dbraw/zinc/37/02/37/169370237.db2.gz ROVQEFKRZNILIZ-UHFFFAOYSA-N 1 0 168.240 0.409 50 0 in-vitro ACAARO O=C1CCCCN1CC1CC[NH2+]CC1 6855156 169370256 /nfs/dbraw/zinc/37/02/56/169370256.db2.gz ANHXAHZTCCCODM-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C1CCCC2=[NH+]CCCN12 25624428 169370265 /nfs/dbraw/zinc/37/02/65/169370265.db2.gz SENZWMNCHJFUGV-UHFFFAOYSA-N 1 0 152.197 0.801 50 0 ACAARO O=C1CCCC[C@@H]1[C@H]1COCC[NH2+]1 82162917 169370334 /nfs/dbraw/zinc/37/03/34/169370334.db2.gz NCQBNMVGQRGUHD-RKDXNWHRSA-N 1 0 183.251 0.734 50 0 in-vitro ACAARO O=C1CCCC[NH2+]C1 34744940 169370458 /nfs/dbraw/zinc/37/04/58/169370458.db2.gz 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O=C1CCC[NH2+]CC1 1420540 169371469 /nfs/dbraw/zinc/37/14/69/169371469.db2.gz GMHPWGYTSXHHPI-UHFFFAOYSA-N 1 0 113.160 0.329 50 0 in-vitro ACAARO O=C1CCCOC12CC[NH2+]CC2 238584559 169371520 /nfs/dbraw/zinc/37/15/20/169371520.db2.gz PSLSWKZUUIEQCF-UHFFFAOYSA-N 1 0 169.224 0.488 50 0 ACAARO O=C1CCCN1C[C@@H]1CC[NH2+]C1 51890196 169371542 /nfs/dbraw/zinc/37/15/42/169371542.db2.gz UOEQVGGEGKRRLM-MRVPVSSYSA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO O=C1CCCN1[C@H]1CCC[NH2+]C1 19421988 169371623 /nfs/dbraw/zinc/37/16/23/169371623.db2.gz BZRSOJJKKGRFNG-QMMMGPOBSA-N 1 0 168.240 0.361 50 0 in-vitro ACAARO O=C1CCCN1CCC1CC[NH2+]CC1 4298626 169371628 /nfs/dbraw/zinc/37/16/28/169371628.db2.gz VXEDMQRKJUGYBQ-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO O=C1CCCN1CC1CC[NH2+]CC1 6855082 169371643 /nfs/dbraw/zinc/37/16/43/169371643.db2.gz NDYUYNKSORUJAS-UHFFFAOYSA-N 1 0 182.267 0.608 50 0 in-vitro ACAARO O=C1CCCN1C[C@@H]1CCCC[NH2+]1 6855183 169371827 /nfs/dbraw/zinc/37/18/27/169371827.db2.gz 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ACAARO O=C1CCCN1C[C@H]1CCC[NH2+]C1 2486712 169372210 /nfs/dbraw/zinc/37/22/10/169372210.db2.gz PNQLQOFVZKTDSF-VIFPVBQESA-N 1 0 182.267 0.608 50 0 in-vitro ACAARO O=C1CCC[C@@H]2C[NH2+]C[C@H]12 95635234 169372392 /nfs/dbraw/zinc/37/23/92/169372392.db2.gz BGXMXYKDFFAEKA-RQJHMYQMSA-N 1 0 139.198 0.575 50 0 in-vitro ACAARO O=C1CCC[C@H]1[C@H]1COCC[NH2+]1 95347991 169372569 /nfs/dbraw/zinc/37/25/69/169372569.db2.gz BUJQGAAPMDUOQV-JGVFFNPUSA-N 1 0 169.224 0.344 50 0 in-vitro ACAARO O=C1CCC[C@@H]2[C@H]3C[NH2+]C[C@H](C3)CN12 28537566 169372602 /nfs/dbraw/zinc/37/26/02/169372602.db2.gz KWVYCGMBGRYVQH-IVZWLZJFSA-N 1 0 194.278 0.607 50 0 ACAARO O=C1CCC[C@@H]1[C@H]1COCC[NH2+]1 95347990 169372607 /nfs/dbraw/zinc/37/26/07/169372607.db2.gz BUJQGAAPMDUOQV-HTQZYQBOSA-N 1 0 169.224 0.344 50 0 in-vitro ACAARO O=C1CCC[C@H]2C[NH2+]C[C@H]12 95635235 169372635 /nfs/dbraw/zinc/37/26/35/169372635.db2.gz BGXMXYKDFFAEKA-BQBZGAKWSA-N 1 0 139.198 0.575 50 0 in-vitro ACAARO O=C1CCC[C@H]1[C@@H]1COCC[NH2+]1 95347989 169372670 /nfs/dbraw/zinc/37/26/70/169372670.db2.gz BUJQGAAPMDUOQV-YUMQZZPRSA-N 1 0 169.224 0.344 50 0 in-vitro ACAARO O=C1CCC[C@@H]2[NH2+]CC[C@@H]2N1 77010663 169372712 /nfs/dbraw/zinc/37/27/12/169372712.db2.gz ZFRHITQPUMDVLY-BQBZGAKWSA-N 1 0 154.213 0.017 50 0 ACAARO O=C1CCC[n+]2ccccc21 337475 169372829 /nfs/dbraw/zinc/37/28/29/169372829.db2.gz VNRJKJFPDFARHO-UHFFFAOYSA-N 1 0 148.185 0.951 50 0 ACAARO O=C1CCC[C@@H]1[C@@H]1COCC[NH2+]1 95347988 169372835 /nfs/dbraw/zinc/37/28/35/169372835.db2.gz BUJQGAAPMDUOQV-SFYZADRCSA-N 1 0 169.224 0.344 50 0 in-vitro ACAARO O=C1CCC[C@@H]2C[NH2+]C[C@@H]12 95635236 169372837 /nfs/dbraw/zinc/37/28/37/169372837.db2.gz BGXMXYKDFFAEKA-RNFRBKRXSA-N 1 0 139.198 0.575 50 0 in-vitro ACAARO O=C1CCC[C@H]2[C@H]3C[NH2+]C[C@H](C3)CN12 85923331 169372880 /nfs/dbraw/zinc/37/28/80/169372880.db2.gz KWVYCGMBGRYVQH-AEJSXWLSSA-N 1 0 194.278 0.607 50 0 ACAARO O=C1CCC[C@H]2C[NH2+]C[C@@H]12 95635237 169372968 /nfs/dbraw/zinc/37/29/68/169372968.db2.gz BGXMXYKDFFAEKA-NKWVEPMBSA-N 1 0 139.198 0.575 50 0 in-vitro ACAARO O=C1CC[N@@H+]2CCC[C@@H]2C1 18506828 169373411 /nfs/dbraw/zinc/37/34/11/169373411.db2.gz CQTKSBAHMPWPQD-SSDOTTSWSA-N 1 0 139.198 0.814 50 0 in-vitro ACAARO O=C1CC[N@@H+]2CCCC[C@@H]12 25879323 169373507 /nfs/dbraw/zinc/37/35/07/169373507.db2.gz GSQLNIVPNDDIHU-ZETCQYMHSA-N 1 0 139.198 0.814 50 0 in-vitro ACAARO O=C1CC[NH2+][C@@H](C2CC2)C1 18880523 169373801 /nfs/dbraw/zinc/37/38/01/169373801.db2.gz VBGIWAZOKLKBKM-MRVPVSSYSA-N 1 0 139.198 0.718 50 0 ACAARO O=C1CC[NH2+]CCN1CC1CC1 40449031 169373803 /nfs/dbraw/zinc/37/38/03/169373803.db2.gz OBWWBEKDKLXONJ-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 ACAARO O=C1CC[NH2+]CC12CCOCC2 82401460 169373850 /nfs/dbraw/zinc/37/38/50/169373850.db2.gz YHLWGYWIHHPAPD-UHFFFAOYSA-N 1 0 169.224 0.346 50 0 ACAARO O=C1CC[N@@H+]2CCCC[C@H]12 25879320 169374015 /nfs/dbraw/zinc/37/40/15/169374015.db2.gz GSQLNIVPNDDIHU-SSDOTTSWSA-N 1 0 139.198 0.814 50 0 in-vitro ACAARO O=C1CC[N@@H+]2CCC[C@@H]12 3592734 169374028 /nfs/dbraw/zinc/37/40/28/169374028.db2.gz WYOIGGSUICKDNZ-LURJTMIESA-N 1 0 125.171 0.424 50 0 in-vitro ACAARO O=C1CC[NH2+]CCCCCCN1 238591310 169374152 /nfs/dbraw/zinc/37/41/52/169374152.db2.gz RPTDWQWOLTVUKT-UHFFFAOYSA-N 1 0 170.256 0.656 50 0 ACAARO O=C1CC[NH2+]CC12CC2 82411459 169374204 /nfs/dbraw/zinc/37/42/04/169374204.db2.gz UHMYRHMVLXAGQA-UHFFFAOYSA-N 1 0 125.171 0.329 50 0 ACAARO O=C1CC[NH2+]CC[C@H]1F 97759020 169374237 /nfs/dbraw/zinc/37/42/37/169374237.db2.gz KLHIJIQUXRHWOY-RXMQYKEDSA-N 1 0 131.150 0.277 50 0 ACAARO O=C1CC[N@@H+]2CCC[C@H]2C1 18506830 169374447 /nfs/dbraw/zinc/37/44/47/169374447.db2.gz CQTKSBAHMPWPQD-ZETCQYMHSA-N 1 0 139.198 0.814 50 0 in-vitro ACAARO O=C1CC[NH2+]CC[C@@H]1F 97759021 169374464 /nfs/dbraw/zinc/37/44/64/169374464.db2.gz KLHIJIQUXRHWOY-YFKPBYRVSA-N 1 0 131.150 0.277 50 0 ACAARO O=C1CC[NH2+]C2(CCC2)C1 82410474 169374506 /nfs/dbraw/zinc/37/45/06/169374506.db2.gz TURGHONWVPUISN-UHFFFAOYSA-N 1 0 139.198 0.862 50 0 ACAARO O=C1CC[N@@H+]2CCC[C@H]12 3592737 169374532 /nfs/dbraw/zinc/37/45/32/169374532.db2.gz WYOIGGSUICKDNZ-ZCFIWIBFSA-N 1 0 125.171 0.424 50 0 in-vitro ACAARO O=C1CC[NH2+][C@@H]2CCC[C@H]12 1235047 169374789 /nfs/dbraw/zinc/37/47/89/169374789.db2.gz ARUFORLDGOXCSV-NKWVEPMBSA-N 1 0 139.198 0.718 50 0 in-vitro ACAARO O=C1CC[NH2+][C@@H]2CCC[C@@H]12 1235045 169374869 /nfs/dbraw/zinc/37/48/69/169374869.db2.gz ARUFORLDGOXCSV-RNFRBKRXSA-N 1 0 139.198 0.718 50 0 in-vitro ACAARO O=C1CC[NH2+][C@H]2CCC[C@@H]12 1235046 169374871 /nfs/dbraw/zinc/37/48/71/169374871.db2.gz ARUFORLDGOXCSV-RQJHMYQMSA-N 1 0 139.198 0.718 50 0 in-vitro ACAARO O=C1CC[NH2+][C@H]2CCC[C@H]12 1235048 169374962 /nfs/dbraw/zinc/37/49/62/169374962.db2.gz ARUFORLDGOXCSV-BQBZGAKWSA-N 1 0 139.198 0.718 50 0 in-vitro ACAARO O=C1CCNc2cc[nH+]cc2N1 76594504 169374965 /nfs/dbraw/zinc/37/49/65/169374965.db2.gz ADKXFPUWJFKXRD-UHFFFAOYSA-N 1 0 163.180 0.836 50 0 ACAARO O=C1CCOC2(CC[NH2+]CC2)C1 82401445 169375089 /nfs/dbraw/zinc/37/50/89/169375089.db2.gz WCHPMAPLPYLRCY-UHFFFAOYSA-N 1 0 169.224 0.488 50 0 ACAARO O=C1CC[NH2+][C@H](C2CC2)C1 18880526 169375175 /nfs/dbraw/zinc/37/51/75/169375175.db2.gz VBGIWAZOKLKBKM-QMMMGPOBSA-N 1 0 139.198 0.718 50 0 ACAARO O=C1CC[C@@H]([C@@H]2CCCC[NH2+]2)C(=O)N1 82909176 169375411 /nfs/dbraw/zinc/37/54/11/169375411.db2.gz KKIQXXJYJDPRMR-YUMQZZPRSA-N 1 0 196.250 0.181 50 0 ACAARO O=C1CC[C@@H]([C@H]2CCCC[NH2+]2)C(=O)N1 82909177 169375416 /nfs/dbraw/zinc/37/54/16/169375416.db2.gz KKIQXXJYJDPRMR-JGVFFNPUSA-N 1 0 196.250 0.181 50 0 ACAARO O=C1CC[C@@]2(CCC[NH2+]C2)O1 91297552 169375418 /nfs/dbraw/zinc/37/54/18/169375418.db2.gz FTYPAOABBVPJML-MRVPVSSYSA-N 1 0 155.197 0.446 50 0 in-vitro ACAARO O=C1CC[C@@]2(CCC[NH2+]C2)CN1 96904845 169375759 /nfs/dbraw/zinc/37/57/59/169375759.db2.gz UHCNRACOOIGVSF-SECBINFHSA-N 1 0 168.240 0.266 50 0 ACAARO O=C1CC[C@@H]2C[NH2+]CC[C@H]2N1C1CC1 84136869 169375809 /nfs/dbraw/zinc/37/58/09/169375809.db2.gz DZWDNTCJRQVATP-PSASIEDQSA-N 1 0 194.278 0.749 50 0 in-vitro ACAARO O=C1CC[C@@H]2C[NH2+]C[C@H]12 26897726 169375837 /nfs/dbraw/zinc/37/58/37/169375837.db2.gz VTJCOTZQTGPOSP-RITPCOANSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1CC[C@@H]2C[NH2+]C[C@@H]12 26897732 169375879 /nfs/dbraw/zinc/37/58/79/169375879.db2.gz VTJCOTZQTGPOSP-PHDIDXHHSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1CC[C@@H]2C[NH2+]CC[C@@H]2N1C1CC1 84136871 169375958 /nfs/dbraw/zinc/37/59/58/169375958.db2.gz DZWDNTCJRQVATP-SCZZXKLOSA-N 1 0 194.278 0.749 50 0 in-vitro ACAARO O=C1CC[C@]2(CCC[NH2+]C2)CN1 96904846 169376307 /nfs/dbraw/zinc/37/63/07/169376307.db2.gz UHCNRACOOIGVSF-VIFPVBQESA-N 1 0 168.240 0.266 50 0 ACAARO O=C1CC[C@H]2C[NH2+]CC[C@@H]2N1C1CC1 84136867 169376373 /nfs/dbraw/zinc/37/63/73/169376373.db2.gz DZWDNTCJRQVATP-WPRPVWTQSA-N 1 0 194.278 0.749 50 0 in-vitro ACAARO O=C1CC[C@H]([C@H]2CCCC[NH2+]2)C(=O)N1 82909179 169376402 /nfs/dbraw/zinc/37/64/02/169376402.db2.gz KKIQXXJYJDPRMR-HTQZYQBOSA-N 1 0 196.250 0.181 50 0 ACAARO O=C1CC[C@]2(CCC[NH2+]C2)O1 91297554 169376467 /nfs/dbraw/zinc/37/64/67/169376467.db2.gz FTYPAOABBVPJML-QMMMGPOBSA-N 1 0 155.197 0.446 50 0 in-vitro ACAARO O=C1CC[C@H]2C[NH2+]C[C@H]12 26897729 169376657 /nfs/dbraw/zinc/37/66/57/169376657.db2.gz VTJCOTZQTGPOSP-WDSKDSINSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1CC[C@H]([C@@H]2CCCC[NH2+]2)C(=O)N1 82909178 169376676 /nfs/dbraw/zinc/37/66/76/169376676.db2.gz KKIQXXJYJDPRMR-SFYZADRCSA-N 1 0 196.250 0.181 50 0 ACAARO O=C1CC[C@H]2C[NH2+]CC[C@H]2N1C1CC1 84136864 169376793 /nfs/dbraw/zinc/37/67/93/169376793.db2.gz DZWDNTCJRQVATP-WCBMZHEXSA-N 1 0 194.278 0.749 50 0 in-vitro ACAARO O=C1CC[C@H]2C[NH2+]C[C@@H]12 26897733 169376850 /nfs/dbraw/zinc/37/68/50/169376850.db2.gz VTJCOTZQTGPOSP-NTSWFWBYSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1CN2CCC1CC2 164555 169377654 /nfs/dbraw/zinc/37/76/54/169377654.db2.gz ZKMZPXWMMSBLNO-UHFFFAOYSA-N 1 0 125.171 0.281 50 0 in-vitro ACAARO O=C1CNc2cc[nH+]cc2N1 19763834 169378619 /nfs/dbraw/zinc/37/86/19/169378619.db2.gz MJNNGMNZUQSJNV-UHFFFAOYSA-N 1 0 149.153 0.446 50 0 in-vitro ACAARO O=C1CSC(=O)N1[C@@H]1CC[NH2+]C1 96034703 169379091 /nfs/dbraw/zinc/37/90/91/169379091.db2.gz NSMFKWBTMPTRPZ-RXMQYKEDSA-N 1 0 186.236 0.044 50 0 ACAARO O=C1CSC(=O)N1[C@H]1CC[NH2+]C1 96034704 169379747 /nfs/dbraw/zinc/37/97/47/169379747.db2.gz NSMFKWBTMPTRPZ-YFKPBYRVSA-N 1 0 186.236 0.044 50 0 ACAARO O=C1COC2(CC[NH2+]CC2)C1 13741159 169379877 /nfs/dbraw/zinc/37/98/77/169379877.db2.gz HQTYIRUSJRQGBS-UHFFFAOYSA-N 1 0 155.197 0.098 50 0 in-vitro ACAARO O=C1CS[C@]2(C[NH+]3CCC2CC3)N1 191476 169380211 /nfs/dbraw/zinc/38/02/11/169380211.db2.gz APJNBAHDDFOIDD-VIFPVBQESA-N 1 0 198.291 0.271 50 0 ACAARO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1 36853391 169380350 /nfs/dbraw/zinc/38/03/50/169380350.db2.gz DBHHBVCYMKHDIF-MRVPVSSYSA-N 1 0 196.250 0.324 50 0 ACAARO O=C1C[C@@H]([NH+]2CCCCCC2)C(=O)N1 98213445 169380481 /nfs/dbraw/zinc/38/04/81/169380481.db2.gz VAUONVXKFFCCBY-MRVPVSSYSA-N 1 0 196.250 0.278 50 0 ACAARO O=C1C[C@@H](C2C[NH2+]C2)CCO1 95704850 169380939 /nfs/dbraw/zinc/38/09/39/169380939.db2.gz GTEYRGVBSGFRTE-LURJTMIESA-N 1 0 155.197 0.159 50 0 ACAARO O=C1CS[C@@]2(C[NH+]3CCC2CC3)N1 191477 169380987 /nfs/dbraw/zinc/38/09/87/169380987.db2.gz APJNBAHDDFOIDD-SECBINFHSA-N 1 0 198.291 0.271 50 0 ACAARO O=C1C[C@@H](C2CC[NH2+]CC2)CN1 95883446 169380995 /nfs/dbraw/zinc/38/09/95/169380995.db2.gz PLHLWCBBZWSJDN-MRVPVSSYSA-N 1 0 168.240 0.122 50 0 ACAARO O=C1C[C@@H]([C@H]2CCC[NH2+]C2)CN1 95883448 169381132 /nfs/dbraw/zinc/38/11/32/169381132.db2.gz NYZXJNMZZDKONC-JGVFFNPUSA-N 1 0 168.240 0.122 50 0 in-vitro ACAARO O=C1C[C@@H]2C[NH2+]C[C@H]2C1 66339701 169381214 /nfs/dbraw/zinc/38/12/14/169381214.db2.gz XRSFPEFHACEZSM-PHDIDXHHSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1C[C@@H]([C@H]2CCCC[NH2+]2)CN1 88613626 169381254 /nfs/dbraw/zinc/38/12/54/169381254.db2.gz HJALDROXAGLBHX-HTQZYQBOSA-N 1 0 168.240 0.265 50 0 ACAARO O=C1C[C@@H]([C@@H]2CCC[NH2+]C2)CN1 95883449 169381258 /nfs/dbraw/zinc/38/12/58/169381258.db2.gz NYZXJNMZZDKONC-HTQZYQBOSA-N 1 0 168.240 0.122 50 0 in-vitro ACAARO O=C1C[C@@H]2CCC[C@H](C1)[NH2+]2 5134501 169381326 /nfs/dbraw/zinc/38/13/26/169381326.db2.gz JIYPUEZSSJAXBO-KNVOCYPGSA-N 1 0 139.198 0.860 50 0 endogenous,in-man ACAARO O=C1C[C@@H]([C@@H]2CCCC[NH2+]2)CN1 88613625 169381348 /nfs/dbraw/zinc/38/13/48/169381348.db2.gz HJALDROXAGLBHX-SFYZADRCSA-N 1 0 168.240 0.265 50 0 ACAARO O=C1C[C@@H]2C[NH2+]C[C@@H]2C1 66339693 169381482 /nfs/dbraw/zinc/38/14/82/169381482.db2.gz XRSFPEFHACEZSM-OLQVQODUSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1C[C@@H]2CC[C@H](C1)[NH2+]2 5382660 169381608 /nfs/dbraw/zinc/38/16/08/169381608.db2.gz CVDLBKMNONQOHJ-OLQVQODUSA-N 1 0 125.171 0.470 50 0 biogenic,in-vitro ACAARO O=C1C[C@@H]2CCCC[N@@H+]2C1 83255396 169381675 /nfs/dbraw/zinc/38/16/75/169381675.db2.gz GNBXSXWCRFYWBT-ZETCQYMHSA-N 1 0 139.198 0.814 50 0 ACAARO O=C1C[C@H](C2C[NH2+]C2)CCO1 95704849 169382141 /nfs/dbraw/zinc/38/21/41/169382141.db2.gz 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O=C1C[C@H]([C@H]2CCCC[NH2+]2)CN1 88613628 169382697 /nfs/dbraw/zinc/38/26/97/169382697.db2.gz HJALDROXAGLBHX-JGVFFNPUSA-N 1 0 168.240 0.265 50 0 ACAARO O=C1C[C@H]2CCC[C@@H](CN1)[NH2+]2 38343327 169383148 /nfs/dbraw/zinc/38/31/48/169383148.db2.gz NLAPIPXGKAQEPU-RQJHMYQMSA-N 1 0 154.213 0.017 50 0 ACAARO O=C1C[C@H]2C[NH2+]C[C@@H]2C1 66339698 169383363 /nfs/dbraw/zinc/38/33/63/169383363.db2.gz XRSFPEFHACEZSM-WDSKDSINSA-N 1 0 125.171 0.185 50 0 in-vitro ACAARO O=C1C[C@H]2CCCC[N@@H+]2C1 83255399 169383386 /nfs/dbraw/zinc/38/33/86/169383386.db2.gz GNBXSXWCRFYWBT-SSDOTTSWSA-N 1 0 139.198 0.814 50 0 ACAARO O=C1N(c2ccccc2)CC12C[NH2+]C2 72194303 169384001 /nfs/dbraw/zinc/38/40/01/169384001.db2.gz JGOYKNYAYFJVST-UHFFFAOYSA-N 1 0 188.230 0.623 50 0 in-vitro ACAARO O=C1N=C(C2CC2)NC12CC[NH2+]CC2 95483705 169384052 /nfs/dbraw/zinc/38/40/52/169384052.db2.gz DYYMFOGBXBVSSU-UHFFFAOYSA-N 1 0 193.250 0.047 50 0 ACAARO O=C1NCCCC12CC[NH2+]CC2 20445378 169384621 /nfs/dbraw/zinc/38/46/21/169384621.db2.gz 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/nfs/dbraw/zinc/38/51/62/169385162.db2.gz WQEZNOIZYDJGLE-UHFFFAOYSA-N 1 0 183.255 0.154 50 0 in-vitro ACAARO O=C1NCC[NH2+]C12CCCC2 31817277 169385741 /nfs/dbraw/zinc/38/57/41/169385741.db2.gz HOOFQCLLFLKXDW-UHFFFAOYSA-N 1 0 154.213 0.019 50 0 in-vitro ACAARO O=C1NCCN1CC[NH+]1CCCCC1 71289181 169385989 /nfs/dbraw/zinc/38/59/89/169385989.db2.gz QIMQGBDWMCXROL-UHFFFAOYSA-N 1 0 197.282 0.498 50 0 ACAARO O=C1NCC[N@@H+]2CCCCC[C@H]12 251449 169386266 /nfs/dbraw/zinc/38/62/66/169386266.db2.gz CDOWWLAUOWFXOK-MRVPVSSYSA-N 1 0 168.240 0.361 50 0 ACAARO O=C1NCCC[C@H]1[NH+]1CCCCC1 75403505 169386362 /nfs/dbraw/zinc/38/63/62/169386362.db2.gz SAQUDTWVZQIELT-SECBINFHSA-N 1 0 182.267 0.751 50 0 ACAARO O=C1NCC[N@@H+]2CCCCC[C@@H]12 251439 169386409 /nfs/dbraw/zinc/38/64/09/169386409.db2.gz CDOWWLAUOWFXOK-QMMMGPOBSA-N 1 0 168.240 0.361 50 0 ACAARO O=C1NCCC[C@]12CCC[NH2+]C2 23508762 169386470 /nfs/dbraw/zinc/38/64/70/169386470.db2.gz NXPRYCXVFFTXOK-VIFPVBQESA-N 1 0 168.240 0.266 50 0 in-vitro ACAARO O=C1NCC[NH2+]C12CCCCC2 95481219 169386498 /nfs/dbraw/zinc/38/64/98/169386498.db2.gz NPGCDXDRKGAHMU-UHFFFAOYSA-N 1 0 168.240 0.409 50 0 in-vitro ACAARO O=C1NCCC[C@]12CCC[NH2+]2 39115566 169386731 /nfs/dbraw/zinc/38/67/31/169386731.db2.gz IGNANRMPQBBION-QMMMGPOBSA-N 1 0 154.213 0.019 50 0 ACAARO O=C1NC[C@@]2(C[NH+]3CCC2CC3)O1 7403 169386957 /nfs/dbraw/zinc/38/69/57/169386957.db2.gz TYAGAVRSOFABFO-VIFPVBQESA-N 1 0 182.223 0.191 50 0 in-vitro ACAARO O=C1NC[C@@]2(CCC[NH2+]CC2)O1 67425223 169387343 /nfs/dbraw/zinc/38/73/43/169387343.db2.gz ZGBXGJPUSCAJEA-QMMMGPOBSA-N 1 0 170.212 0.239 50 0 in-vitro ACAARO O=C1NC[C@]2(CCC[NH2+]CC2)O1 67425221 169387749 /nfs/dbraw/zinc/38/77/49/169387749.db2.gz ZGBXGJPUSCAJEA-MRVPVSSYSA-N 1 0 170.212 0.239 50 0 in-vitro ACAARO O=C1NC[C@]2(C[NH+]3CCC2CC3)O1 13834389 169387843 /nfs/dbraw/zinc/38/78/43/169387843.db2.gz TYAGAVRSOFABFO-SECBINFHSA-N 1 0 182.223 0.191 50 0 in-vitro ACAARO O=C1N[C@@H](C2CC[NH2+]CC2)CO1 96509479 169388923 /nfs/dbraw/zinc/38/89/23/169388923.db2.gz UDYHHOKBSSUHTR-SSDOTTSWSA-N 1 0 170.212 0.094 50 0 ACAARO O=C1N[C@H](C2CC[NH2+]CC2)CO1 96509478 169389041 /nfs/dbraw/zinc/38/90/41/169389041.db2.gz UDYHHOKBSSUHTR-ZETCQYMHSA-N 1 0 170.212 0.094 50 0 ACAARO O=C1N[C@]2(CCC[NH2+]C2)CCO1 95628921 169389430 /nfs/dbraw/zinc/38/94/30/169389430.db2.gz ZFHMIJFABNRRBE-MRVPVSSYSA-N 1 0 170.212 0.239 50 0 ACAARO O=C1N[C@@]2(CCC[NH2+]C2)CCO1 95628922 169389654 /nfs/dbraw/zinc/38/96/54/169389654.db2.gz ZFHMIJFABNRRBE-QMMMGPOBSA-N 1 0 170.212 0.239 50 0 ACAARO O=C1OCCC12CC[NH2+]CC2 74942818 169390238 /nfs/dbraw/zinc/39/02/38/169390238.db2.gz HZLUMDLSMBEFMQ-UHFFFAOYSA-N 1 0 155.197 0.303 50 0 in-vitro ACAARO O=C1OCCCN1C1CC[NH2+]CC1 41054606 169390320 /nfs/dbraw/zinc/39/03/20/169390320.db2.gz UAMPFCXIVPCTCN-UHFFFAOYSA-N 1 0 184.239 0.581 50 0 ACAARO O=C1Nc2ccccc2[C@]12CC[NH2+]C2 95577096 169390627 /nfs/dbraw/zinc/39/06/27/169390627.db2.gz FQSHLSLQUHZOMV-LLVKDONJSA-N 1 0 188.230 0.870 50 0 in-vitro ACAARO O=C1OCC2(CC[NH2+]CC2)O1 49584879 169390796 /nfs/dbraw/zinc/39/07/96/169390796.db2.gz LWUMZEBRKKPBIR-UHFFFAOYSA-N 1 0 157.169 0.275 50 0 in-vitro ACAARO O=C1Nc2ccccc2[C@@]12CC[NH2+]C2 95630123 169390813 /nfs/dbraw/zinc/39/08/13/169390813.db2.gz FQSHLSLQUHZOMV-NSHDSACASA-N 1 0 188.230 0.870 50 0 in-vitro ACAARO O=C1OCCN1C[C@@H]1CC[NH2+]C1 51890338 169391063 /nfs/dbraw/zinc/39/10/63/169391063.db2.gz QFHACGNMJCBUFQ-SSDOTTSWSA-N 1 0 170.212 0.048 50 0 ACAARO O=C1OCCN1C1CC[NH2+]CC1 39384269 169391106 /nfs/dbraw/zinc/39/11/06/169391106.db2.gz SQGSXVBOGZMGFV-UHFFFAOYSA-N 1 0 170.212 0.191 50 0 in-vitro ACAARO O=C1OCC[C@@]12CCC[NH2+]2 95883984 169391524 /nfs/dbraw/zinc/39/15/24/169391524.db2.gz QCNFPWDMQHAJKE-ZETCQYMHSA-N 1 0 141.170 0.056 50 0 in-vitro ACAARO O=C1OCC[C@@H]1NC1=[NH+]CCC1 4166356 169391611 /nfs/dbraw/zinc/39/16/11/169391611.db2.gz CYLFWQVTXCWLQV-LURJTMIESA-N 1 0 168.196 0.084 50 0 ACAARO O=C1OCC[C@]12CCC[NH2+]2 95883985 169392016 /nfs/dbraw/zinc/39/20/16/169392016.db2.gz QCNFPWDMQHAJKE-SSDOTTSWSA-N 1 0 141.170 0.056 50 0 in-vitro ACAARO O=C1OCCN1C[C@H]1CC[NH2+]C1 51890339 169392041 /nfs/dbraw/zinc/39/20/41/169392041.db2.gz QFHACGNMJCBUFQ-ZETCQYMHSA-N 1 0 170.212 0.048 50 0 ACAARO O=S1(=O)CC[C@]2(CCC[NH2+]C2)C1 70063921 169412254 /nfs/dbraw/zinc/41/22/54/169412254.db2.gz LIFASBZAWLZEKC-QMMMGPOBSA-N 1 0 189.280 0.175 50 0 ACAARO O=S1(=O)CC[C@@]2(CCC[NH2+]C2)C1 70063920 169412315 /nfs/dbraw/zinc/41/23/15/169412315.db2.gz LIFASBZAWLZEKC-MRVPVSSYSA-N 1 0 189.280 0.175 50 0 ACAARO O=c1cc2c(c[nH]1)C[NH2+]CC2 91692036 169418746 /nfs/dbraw/zinc/41/87/46/169418746.db2.gz LHHKETSCNHQSTA-UHFFFAOYSA-N 1 0 150.181 0.021 50 0 in-vitro ACAARO O=c1ccc([C@@H]2CCC[NH2+]2)n[nH]1 96034372 169419848 /nfs/dbraw/zinc/41/98/48/169419848.db2.gz JYSXFCRHRSRAGI-LURJTMIESA-N 1 0 165.196 0.194 50 0 ACAARO O=c1ccccn1C1CC[NH2+]CC1 41630258 169420458 /nfs/dbraw/zinc/42/04/58/169420458.db2.gz BUVUMZCYOKVAEC-UHFFFAOYSA-N 1 0 178.235 0.773 50 0 ACAARO OC1(c2cncnc2)CC[NH2+]CC1 55189694 169421985 /nfs/dbraw/zinc/42/19/85/169421985.db2.gz GHUWXZBDLABZRJ-UHFFFAOYSA-N 1 0 179.223 0.048 50 0 ACAARO OC1CC[NH+]([C@H]2CCSC2)CC1 23550025 169422392 /nfs/dbraw/zinc/42/23/92/169422392.db2.gz AQTLLNHGCPDPCW-QMMMGPOBSA-N 1 0 187.308 0.949 50 0 ACAARO OC1CC[NH+](C2CC2)CC1 18851504 169422689 /nfs/dbraw/zinc/42/26/89/169422689.db2.gz CAYTVMPUNMZTFU-UHFFFAOYSA-N 1 0 141.214 0.606 50 0 ACAARO OCC(CO)[NH2+]C1CCCCC1 75563671 169423503 /nfs/dbraw/zinc/42/35/03/169423503.db2.gz LXEONYQIOXLKOC-UHFFFAOYSA-N 1 0 173.256 0.262 50 0 ACAARO OCC1(c2ccccc2)C[NH2+]C1 34273427 169423667 /nfs/dbraw/zinc/42/36/67/169423667.db2.gz BGORPCNZTLVDOY-UHFFFAOYSA-N 1 0 163.220 0.520 50 0 ACAARO OCC1CC2(CC[NH2+]C2)C1 95078443 169423733 /nfs/dbraw/zinc/42/37/33/169423733.db2.gz YGZXVXPJKIJJOL-UHFFFAOYSA-N 1 0 141.214 0.368 50 0 in-vitro ACAARO OCC1([C@@H](O)C2CC[NH2+]CC2)CC1 328577981 169423971 /nfs/dbraw/zinc/42/39/71/169423971.db2.gz AELSJFHBQFGJMQ-VIFPVBQESA-N 1 0 185.267 0.119 50 0 ACAARO OCC12CC(CC[NH2+]1)C2 95743062 169424020 /nfs/dbraw/zinc/42/40/20/169424020.db2.gz NZPQUUKDWPIDAW-UHFFFAOYSA-N 1 0 127.187 0.121 50 0 ACAARO OCC1CC[NH+](C2CCOCC2)CC1 40448091 169424090 /nfs/dbraw/zinc/42/40/90/169424090.db2.gz CXHFFCOHKYPIRG-UHFFFAOYSA-N 1 0 199.294 0.870 50 0 ACAARO OCCC[NH2+]C1CCC1 44480472 169425452 /nfs/dbraw/zinc/42/54/52/169425452.db2.gz MULXVHIMSXWXST-UHFFFAOYSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO OCCC[NH2+]Cc1ccccn1 1692503 169425567 /nfs/dbraw/zinc/42/55/67/169425567.db2.gz UTTDICFUEAFWJV-UHFFFAOYSA-N 1 0 166.224 0.554 50 0 in-vitro ACAARO OCCC[NH+]1CCC1 79064812 169425951 /nfs/dbraw/zinc/42/59/51/169425951.db2.gz FUEPSWDWSHCZHJ-UHFFFAOYSA-N 1 0 115.176 0.075 50 0 in-vitro ACAARO OCC[NH+]1CCCCCC1 1682062 169426358 /nfs/dbraw/zinc/42/63/58/169426358.db2.gz VMRYMOMQCYSPHS-UHFFFAOYSA-N 1 0 143.230 0.855 50 0 in-vitro ACAARO OCC[NH+]1CCCC1 388750 169426424 /nfs/dbraw/zinc/42/64/24/169426424.db2.gz XBRDBODLCHKXHI-UHFFFAOYSA-N 1 0 115.176 0.075 50 0 in-vitro ACAARO OCC[NH+](CCO)C1CCCCC1 15042740 169426480 /nfs/dbraw/zinc/42/64/80/169426480.db2.gz HHPDFYDITNAMAM-UHFFFAOYSA-N 1 0 187.283 0.606 50 0 ACAARO OCC[NH2+]CCOCC(F)(F)F 49310949 169428412 /nfs/dbraw/zinc/42/84/12/169428412.db2.gz JQRPNKCHJZXTQH-UHFFFAOYSA-N 1 0 187.161 0.147 50 0 in-vitro ACAARO OCC[NH2+]C1CCCC1 12357200 169428582 /nfs/dbraw/zinc/42/85/82/169428582.db2.gz DWEWXGZAFBYSSR-UHFFFAOYSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO OCC[C@H]1CCCC[NH2+]1 2039527 169429572 /nfs/dbraw/zinc/42/95/72/169429572.db2.gz PTHDBHDZSMGHKF-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 biogenic,in-vitro ACAARO OCC[C@H]1CCC[NH2+]1 88243307 169429675 /nfs/dbraw/zinc/42/96/75/169429675.db2.gz JZXVADSBLRIAIB-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO OCC[n+]1ccsc1 156914 169429677 /nfs/dbraw/zinc/42/96/77/169429677.db2.gz SMUMNAJURYZMBT-UHFFFAOYSA-N 1 0 130.192 0.028 50 0 ACAARO OCCc1cc([C@@H]2CCC[NH2+]2)[nH]n1 19686284 169430040 /nfs/dbraw/zinc/43/00/40/169430040.db2.gz QNZVDMAUVMAQIR-QMMMGPOBSA-N 1 0 181.239 0.369 50 0 ACAARO OCCc1cc([C@H]2CC[NH2+]C2)no1 19686669 169430074 /nfs/dbraw/zinc/43/00/74/169430074.db2.gz SFAODANWSYOKCJ-ZETCQYMHSA-N 1 0 182.223 0.286 50 0 ACAARO OCC[C@H]1CCCCC[NH2+]1 104459758 169430095 /nfs/dbraw/zinc/43/00/95/169430095.db2.gz SCOAZWTYYSRFOB-MRVPVSSYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO OC[C@@H]1CCCCC[NH2+]1 4402445 169431792 /nfs/dbraw/zinc/43/17/92/169431792.db2.gz SAHMJQZPPPFESV-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO OC[C@@H]1CC2CC[NH+]1CC2 5134177 169431955 /nfs/dbraw/zinc/43/19/55/169431955.db2.gz YUZMBZAYRWUWCN-QMMMGPOBSA-N 1 0 141.214 0.463 50 0 ACAARO OC[C@@H](O)C[NH2+]C1CCCCC1 5133642 169432038 /nfs/dbraw/zinc/43/20/38/169432038.db2.gz YDVGXVAWWFKAKA-VIFPVBQESA-N 1 0 173.256 0.262 50 0 ACAARO OC[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F 215154028 169432599 /nfs/dbraw/zinc/43/25/99/169432599.db2.gz DTZSOURCVAIALX-WDSKDSINSA-N 1 0 183.173 0.767 50 0 in-vitro ACAARO OC[C@H](O)C[NH2+]C1CCCCC1 5133644 169434139 /nfs/dbraw/zinc/43/41/39/169434139.db2.gz YDVGXVAWWFKAKA-SECBINFHSA-N 1 0 173.256 0.262 50 0 ACAARO OC[C@@]1(c2ccccn2)CC[NH2+]C1 258804195 169434743 /nfs/dbraw/zinc/43/47/43/169434743.db2.gz NNAVHWUIFSXSBV-SNVBAGLBSA-N 1 0 178.235 0.305 50 0 ACAARO OC[C@H]1C[NH2+]CCC1(F)F 95704724 169435146 /nfs/dbraw/zinc/43/51/46/169435146.db2.gz XTGWMTQKEVTLQD-RXMQYKEDSA-N 1 0 151.156 0.224 50 0 in-vitro ACAARO OC[C@H]1CCCC[NH2+]1 388340 169435661 /nfs/dbraw/zinc/43/56/61/169435661.db2.gz PRAYXGYYVXRDDW-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO OC[C@H]1CCC[NH2+]CC1 57354212 169435841 /nfs/dbraw/zinc/43/58/41/169435841.db2.gz ICMFRWRTMCSQFV-ZETCQYMHSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO OC[C@]12CCC[C@H]1C[NH2+]C2 48056644 169437676 /nfs/dbraw/zinc/43/76/76/169437676.db2.gz ZUGGTKAULOSNOR-JGVFFNPUSA-N 1 0 141.214 0.368 50 0 ACAARO O[C@@H]1CCCOC12CC[NH2+]CC2 34514775 169443779 /nfs/dbraw/zinc/44/37/79/169443779.db2.gz YSGOQZNAPVCOGT-MRVPVSSYSA-N 1 0 171.240 0.280 50 0 ACAARO O[C@@H]1CCCC[NH2+]1 2548044 169443795 /nfs/dbraw/zinc/44/37/95/169443795.db2.gz LEGMHPGYPXPXKB-RXMQYKEDSA-N 1 0 101.149 0.078 50 0 in-vitro ACAARO O[C@@H]1CC[NH2+]CC12CCOCC2 82400500 169445031 /nfs/dbraw/zinc/44/50/31/169445031.db2.gz PIXLUSMZPCRFQX-MRVPVSSYSA-N 1 0 171.240 0.137 50 0 ACAARO O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 238857091 169445091 /nfs/dbraw/zinc/44/50/91/169445091.db2.gz YBUHNJVCTFHMMI-IWSPIJDZSA-N 1 0 155.241 0.899 50 0 ACAARO O[C@@H]1CC[NH2+]CC[C@H]1F 110915941 169445489 /nfs/dbraw/zinc/44/54/89/169445489.db2.gz TZQHBKPSQPSMGM-PHDIDXHHSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 216486887 169445751 /nfs/dbraw/zinc/44/57/51/169445751.db2.gz PKKMWSSDRQBNKG-XHNCKOQMSA-N 1 0 171.240 0.136 50 0 in-vitro ACAARO O[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 95635176 169445758 /nfs/dbraw/zinc/44/57/58/169445758.db2.gz DPOLLBMYIRHSRA-XLPZGREQSA-N 1 0 141.214 0.367 50 0 in-vitro ACAARO O[C@@H]1CC[NH2+][C@H]2CCC[C@@H]21 227692711 169445773 /nfs/dbraw/zinc/44/57/73/169445773.db2.gz QBJPYDROHNVNAT-BIIVOSGPSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 128696 169446091 /nfs/dbraw/zinc/44/60/91/169446091.db2.gz MLQARXBFLAEGNM-HRDYMLBCSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 18504305 169446188 /nfs/dbraw/zinc/44/61/88/169446188.db2.gz DPOLLBMYIRHSRA-GJMOJQLCSA-N 1 0 141.214 0.367 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]2C1 22205455 169446283 /nfs/dbraw/zinc/44/62/83/169446283.db2.gz CFYDLDXIZVAABZ-DJLDLDEBSA-N 1 0 155.241 0.899 50 0 ACAARO O[C@@H]1CC[C@H]2CCC[NH2+][C@H]2C1 4005637 169446362 /nfs/dbraw/zinc/44/63/62/169446362.db2.gz CFYDLDXIZVAABZ-HLTSFMKQSA-N 1 0 155.241 0.899 50 0 ACAARO O[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 4955439 169446466 /nfs/dbraw/zinc/44/64/66/169446466.db2.gz MLQARXBFLAEGNM-DJLDLDEBSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2CC[C@H]1[NH2+]2 104693890 169446534 /nfs/dbraw/zinc/44/65/34/169446534.db2.gz AOYUQKRGAQMSJV-RRKCRQDMSA-N 1 0 127.187 0.262 50 0 ACAARO O[C@@H]1C[NH2+]C[C@H]1c1ccccc1 21303686 169447125 /nfs/dbraw/zinc/44/71/25/169447125.db2.gz LKWOEDBCCDPEQB-VHSXEESVSA-N 1 0 163.220 0.734 50 0 in-vitro ACAARO O[C@@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 100007259 169447414 /nfs/dbraw/zinc/44/74/14/169447414.db2.gz YYMCYJLIYNNOMK-ZMONIFLSSA-N 1 0 127.187 0.262 50 0 in-vitro ACAARO O[C@@H]1C[NH2+][C@H]([C@H]2CCCOC2)C1 69970856 169447516 /nfs/dbraw/zinc/44/75/16/169447516.db2.gz LBTXLKFGHXHZMQ-CIUDSAMLSA-N 1 0 171.240 0.136 50 0 ACAARO O[C@@]1(C(F)(F)F)CC[NH2+]C1 57218890 169447903 /nfs/dbraw/zinc/44/79/03/169447903.db2.gz PLQLGPQFZLVKTF-BYPYZUCNSA-N 1 0 155.119 0.273 50 0 in-vitro ACAARO O[C@@H]1C[C@H]2CC[C@@H]1[NH2+]C2 60128774 169448013 /nfs/dbraw/zinc/44/80/13/169448013.db2.gz WTHAVLKCRJPDGR-DSYKOEDSSA-N 1 0 127.187 0.119 50 0 ACAARO O[C@@]1(c2ccccc2)CC[NH2+]C1 4384402 169448642 /nfs/dbraw/zinc/44/86/42/169448642.db2.gz AFQYBBFSDHKQJV-JTQLQIEISA-N 1 0 163.220 0.868 50 0 in-vitro ACAARO O[C@H](C1CC[NH2+]CC1)C(F)(F)F 57219141 169448834 /nfs/dbraw/zinc/44/88/34/169448834.db2.gz AWHZGSFJGAXLAR-ZCFIWIBFSA-N 1 0 183.173 0.909 50 0 in-vitro ACAARO O[C@H]([C@@H]1CC[NH2+]C1)C(F)(F)F 40442780 169449587 /nfs/dbraw/zinc/44/95/87/169449587.db2.gz DOLDPSVROLKMCI-RFZPGFLSSA-N 1 0 169.146 0.519 50 0 ACAARO O[C@H]1CCCOC12CC[NH2+]CC2 34514774 169451068 /nfs/dbraw/zinc/45/10/68/169451068.db2.gz YSGOQZNAPVCOGT-QMMMGPOBSA-N 1 0 171.240 0.280 50 0 ACAARO O[C@H]1CCC[NH2+]CC1 4202948 169451152 /nfs/dbraw/zinc/45/11/52/169451152.db2.gz JKYGZQCMFANMFM-LURJTMIESA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO O[C@H]1CC[NH2+]CC12CCC2 82409917 169451962 /nfs/dbraw/zinc/45/19/62/169451962.db2.gz SSQZBCHWYBTUCV-ZETCQYMHSA-N 1 0 141.214 0.511 50 0 ACAARO O[C@H]1CC[NH2+][C@@H]2CCC[C@H]12 5290440 169452094 /nfs/dbraw/zinc/45/20/94/169452094.db2.gz QBJPYDROHNVNAT-RNJXMRFFSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@H]1CC[C@@H]2CCC[NH2+][C@H]2C1 4005636 169453073 /nfs/dbraw/zinc/45/30/73/169453073.db2.gz CFYDLDXIZVAABZ-CIUDSAMLSA-N 1 0 155.241 0.899 50 0 ACAARO O[C@H]1C[NH2+]CCC[C@@H]1F 110915890 169453306 /nfs/dbraw/zinc/45/33/06/169453306.db2.gz ITQAIPLTHRXFQD-WDSKDSINSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@H]1CC[NH2+][C@H]2CCC[C@H]12 5290444 169453802 /nfs/dbraw/zinc/45/38/02/169453802.db2.gz QBJPYDROHNVNAT-FXQIFTODSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@H]1CSc2cccc[n+]2C1 497166 169454633 /nfs/dbraw/zinc/45/46/33/169454633.db2.gz QUUWGSSHBLENTO-SSDOTTSWSA-N 1 0 168.241 0.441 50 0 ACAARO O[C@H]1C[C@H]2CC[C@@H]1[NH2+]C2 60128775 169455215 /nfs/dbraw/zinc/45/52/15/169455215.db2.gz WTHAVLKCRJPDGR-VQVTYTSYSA-N 1 0 127.187 0.119 50 0 ACAARO O[C@]1(CF)CCC[NH2+]CC1 261507832 169455756 /nfs/dbraw/zinc/45/57/56/169455756.db2.gz MRIWBUNZEYWWCJ-SSDOTTSWSA-N 1 0 147.193 0.461 50 0 ACAARO Oc1ccc([C@H]2C[NH2+]CCN2)cc1 38545436 169458016 /nfs/dbraw/zinc/45/80/16/169458016.db2.gz SASIFHOHGBPKMK-SNVBAGLBSA-N 1 0 178.235 0.626 50 0 in-vitro ACAARO C#[N+]c1cnc(N)cc1N 100931134 169468606 /nfs/dbraw/zinc/46/86/06/169468606.db2.gz SIRLJNAKSMDDNX-UHFFFAOYSA-N 1 0 134.142 0.797 50 0 ACAARO c1cc(N[C@@H]2CC[NH2+]C2)ncn1 52094006 169470176 /nfs/dbraw/zinc/47/01/76/169470176.db2.gz DMMXYRXUVPJIRJ-SSDOTTSWSA-N 1 0 164.212 0.250 50 0 ACAARO c1cc(N[C@H]2CC[NH2+]C2)ncn1 52094007 169470393 /nfs/dbraw/zinc/47/03/93/169470393.db2.gz DMMXYRXUVPJIRJ-ZETCQYMHSA-N 1 0 164.212 0.250 50 0 ACAARO c1cc(CO[C@H]2CC[NH2+]C2)ccn1 51782359 169470423 /nfs/dbraw/zinc/47/04/23/169470423.db2.gz HYLCAZBXNHYCSI-JTQLQIEISA-N 1 0 178.235 0.960 50 0 ACAARO c1cc(NC2CC[NH2+]CC2)ncn1 40863461 169471172 /nfs/dbraw/zinc/47/11/72/169471172.db2.gz YEHOJHBOXFZFCW-UHFFFAOYSA-N 1 0 178.239 0.641 50 0 ACAARO c1cc([C@@H]2C[NH2+]CCO2)ccn1 28531662 169471721 /nfs/dbraw/zinc/47/17/21/169471721.db2.gz GFTUMNQJJFHZIQ-VIFPVBQESA-N 1 0 164.208 0.743 50 0 ACAARO c1cc([C@H]2CCC[NH2+]2)n[nH]1 19686272 169471839 /nfs/dbraw/zinc/47/18/39/169471839.db2.gz MHSGZEFYVKSBLF-ZCFIWIBFSA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO c1cc([C@H]2CC[NH2+]C2)on1 79069071 169471876 /nfs/dbraw/zinc/47/18/76/169471876.db2.gz ZQCMJHCSXCMVNR-LURJTMIESA-N 1 0 138.170 0.752 50 0 ACAARO c1cc([C@H]2C[NH2+]CCO2)ccn1 28531660 169472024 /nfs/dbraw/zinc/47/20/24/169472024.db2.gz GFTUMNQJJFHZIQ-SECBINFHSA-N 1 0 164.208 0.743 50 0 ACAARO c1cc([C@@H]2CC[NH2+]C2)no1 82410676 169472695 /nfs/dbraw/zinc/47/26/95/169472695.db2.gz UPYSXYBXOWPKLL-ZCFIWIBFSA-N 1 0 138.170 0.752 50 0 ACAARO c1cc([C@H]2CCC[NH2+]2)ncn1 19686454 169472708 /nfs/dbraw/zinc/47/27/08/169472708.db2.gz AXENJVBPOZAZTL-SSDOTTSWSA-N 1 0 149.197 0.901 50 0 in-vitro ACAARO c1cc2c(cn1)OCC[NH2+]C2 23670862 169473735 /nfs/dbraw/zinc/47/37/35/169473735.db2.gz QAJQDCAYPDQVRO-UHFFFAOYSA-N 1 0 150.181 0.564 50 0 ACAARO c1cc2n(c1)CCC[NH2+]C2 24532895 169474655 /nfs/dbraw/zinc/47/46/55/169474655.db2.gz UVJKEFYAXQRWID-UHFFFAOYSA-N 1 0 136.198 0.981 50 0 ACAARO c1ccc(CO[C@H]2CC[NH2+]C2)nc1 51782603 169475640 /nfs/dbraw/zinc/47/56/40/169475640.db2.gz FIXUFKVTRYTERV-JTQLQIEISA-N 1 0 178.235 0.960 50 0 in-vitro ACAARO c1ccc(CNC2=[NH+]CCN2)nc1 96027897 169475915 /nfs/dbraw/zinc/47/59/15/169475915.db2.gz NTPOIGDFKKSXES-UHFFFAOYSA-N 1 0 176.223 0.130 50 0 ACAARO c1ccc(O[C@H]2CC[NH2+]C2)nc1 51868129 169476787 /nfs/dbraw/zinc/47/67/87/169476787.db2.gz FOZWWJMAFNEKFU-QMMMGPOBSA-N 1 0 164.208 0.822 50 0 in-vitro ACAARO c1ccc(N[C@H]2CC[NH2+]C2)nc1 52093693 169476849 /nfs/dbraw/zinc/47/68/49/169476849.db2.gz HEMVTRSSBJCRGX-QMMMGPOBSA-N 1 0 163.224 0.855 50 0 ACAARO c1cnc(C[C@@H]2CC[NH2+]C2)nc1 72344187 169482070 /nfs/dbraw/zinc/48/20/70/169482070.db2.gz JOTVARMUVBKFSM-QMMMGPOBSA-N 1 0 163.224 0.629 50 0 ACAARO c1cn([C@H]2CCC[NH2+]C2)nn1 82049764 169482091 /nfs/dbraw/zinc/48/20/91/169482091.db2.gz KGXBEJFERUBKKY-ZETCQYMHSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO c1cn(C[C@H]2CCC[NH2+]C2)cn1 13483618 169482258 /nfs/dbraw/zinc/48/22/58/169482258.db2.gz KFQCTIRXHQSXEZ-VIFPVBQESA-N 1 0 165.240 0.883 50 0 in-vitro ACAARO c1cnc(C2CC[NH2+]CC2)cn1 19686482 169482618 /nfs/dbraw/zinc/48/26/18/169482618.db2.gz QQMDJOVPTLPHMB-UHFFFAOYSA-N 1 0 163.224 0.944 50 0 ACAARO c1cn(C[C@@H]2CCC[NH2+]2)nn1 98213675 169483113 /nfs/dbraw/zinc/48/31/13/169483113.db2.gz MJIWVLBPVFCYJB-ZETCQYMHSA-N 1 0 152.201 0.030 50 0 ACAARO c1cnc([C@H]2CC[NH2+]C2)cn1 6476975 169483191 /nfs/dbraw/zinc/48/31/91/169483191.db2.gz FKXFAWRHPGWZGE-ZETCQYMHSA-N 1 0 149.197 0.554 50 0 ACAARO c1cnc2scc[n+]2c1 391037 169483545 /nfs/dbraw/zinc/48/35/45/169483545.db2.gz ZOYQGPGGBMOMMD-UHFFFAOYSA-N 1 0 137.187 0.882 50 0 ACAARO c1cnn(C[C@@H]2CCC[NH2+]2)c1 12398322 169484079 /nfs/dbraw/zinc/48/40/79/169484079.db2.gz NROSSDZFPHQESU-QMMMGPOBSA-N 1 0 151.213 0.635 50 0 in-vitro ACAARO c1cnn([C@@H]2CC[NH2+]C2)c1 47218682 169484361 /nfs/dbraw/zinc/48/43/61/169484361.db2.gz ZUZKWDPTWJFIPQ-SSDOTTSWSA-N 1 0 137.186 0.418 50 0 in-vitro ACAARO c1cnn(C[C@H]2CCC[NH2+]C2)c1 43472072 169484463 /nfs/dbraw/zinc/48/44/63/169484463.db2.gz QLVBYKCAAHNALM-VIFPVBQESA-N 1 0 165.240 0.883 50 0 ACAARO c1cnn(C2C[NH2+]C2)c1 19091772 169484469 /nfs/dbraw/zinc/48/44/69/169484469.db2.gz BTVFEBGEHBKUDA-UHFFFAOYSA-N 1 0 123.159 0.027 50 0 in-vitro ACAARO c1cnn(C[C@H]2CCC[NH2+]2)c1 12398320 169484634 /nfs/dbraw/zinc/48/46/34/169484634.db2.gz NROSSDZFPHQESU-MRVPVSSYSA-N 1 0 151.213 0.635 50 0 in-vitro ACAARO c1csc(N2CCC[NH2+]CC2)n1 22168542 169486677 /nfs/dbraw/zinc/48/66/77/169486677.db2.gz YFODOQRAEQFQHL-UHFFFAOYSA-N 1 0 183.280 0.943 50 0 in-vitro ACAARO c1csc([C@H]2C[NH2+]CCO2)n1 68587078 169486866 /nfs/dbraw/zinc/48/68/66/169486866.db2.gz GBGMYPGSDOAQHU-ZCFIWIBFSA-N 1 0 170.237 0.804 50 0 in-vitro ACAARO c1n[nH]cc1[C@H]1CCC[NH2+]C1 68585299 169486913 /nfs/dbraw/zinc/48/69/13/169486913.db2.gz LZQLJAMVAKAJPK-ZETCQYMHSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO c1n[nH]cc1[C@H]1CCC[NH2+]1 62775459 169486932 /nfs/dbraw/zinc/48/69/32/169486932.db2.gz XKYLOHBQOURYOK-SSDOTTSWSA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO c1nc(CN2CC[NH2+]CC2)cs1 20253466 169488028 /nfs/dbraw/zinc/48/80/28/169488028.db2.gz YRQHAURHWDVVTK-UHFFFAOYSA-N 1 0 183.280 0.548 50 0 in-vitro ACAARO c1nc(CN2CCC[NH2+]CC2)cs1 20253484 169488166 /nfs/dbraw/zinc/48/81/66/169488166.db2.gz UQJQXOABQSIGCG-UHFFFAOYSA-N 1 0 197.307 0.938 50 0 ACAARO c1nc([C@H]2CCC[NH2+]C2)no1 60393379 169488527 /nfs/dbraw/zinc/48/85/27/169488527.db2.gz FAPUBBZZFHTOQQ-LURJTMIESA-N 1 0 153.185 0.537 50 0 ACAARO c1ncc([C@H]2CC[NH2+]C2)cn1 79068860 169488786 /nfs/dbraw/zinc/48/87/86/169488786.db2.gz FYXLWTLBUNGETM-ZETCQYMHSA-N 1 0 149.197 0.554 50 0 ACAARO c1ncn(C2CC[NH2+]CC2)n1 32915043 169490264 /nfs/dbraw/zinc/49/02/64/169490264.db2.gz KFJYLCFNRATSPE-UHFFFAOYSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO c1ncn(C[C@H]2CCC[NH2+]2)n1 12399023 169490266 /nfs/dbraw/zinc/49/02/66/169490266.db2.gz AGIXGQFDUZRXCT-SSDOTTSWSA-N 1 0 152.201 0.030 50 0 in-vitro ACAARO c1ncn(C[C@H]2CCCC[NH2+]2)n1 43494214 169490271 /nfs/dbraw/zinc/49/02/71/169490271.db2.gz RYHAXZZMCHTQKU-MRVPVSSYSA-N 1 0 166.228 0.420 50 0 in-vitro ACAARO c1nncn1CC1CC[NH2+]CC1 51332689 169490523 /nfs/dbraw/zinc/49/05/23/169490523.db2.gz ITPGEBNEESCNKC-UHFFFAOYSA-N 1 0 166.228 0.278 50 0 in-vitro ACAARO c1nnc(C2CC[NH2+]CC2)o1 19676457 169490546 /nfs/dbraw/zinc/49/05/46/169490546.db2.gz YDKMMXBPUCTFTD-UHFFFAOYSA-N 1 0 153.185 0.537 50 0 ACAARO [NH3+]CC1(O)CCCCC1 406948 170995547 /nfs/dbraw/zinc/99/55/47/170995547.db2.gz XUSXTHMTOSFZII-UHFFFAOYSA-N 1 0 129.203 0.640 50 0 in-vitro ACAARO O=[N+]1CN(O)CC1c1cccs1 497187 170995588 /nfs/dbraw/zinc/99/55/88/170995588.db2.gz MBTLLKXFJYNOGC-UHFFFAOYSA-N 1 0 184.220 0.710 50 0 ACAARO CC[NH+](CC)CCC(=O)OC 1555284 170997349 /nfs/dbraw/zinc/99/73/49/170997349.db2.gz MGOYBMFCELTAHS-UHFFFAOYSA-N 1 0 159.229 0.891 50 0 ACAARO COC(=O)[C@H]1CCC[NH2+]C1 1605230 170998268 /nfs/dbraw/zinc/99/82/68/170998268.db2.gz BCDBHIAXYFPJCT-LURJTMIESA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO CC(=O)OCC[NH+](C)C 1683612 171000336 /nfs/dbraw/zinc/00/03/36/171000336.db2.gz GOLSFPMYASLXJC-UHFFFAOYSA-N 1 0 131.175 0.111 50 0 ACAARO [NH3+]CC1CC1 1685955 171000419 /nfs/dbraw/zinc/00/04/19/171000419.db2.gz IGSKHXTUVXSOMB-UHFFFAOYSA-N 1 0 71.123 0.355 50 0 in-vitro ACAARO c1cncc(C2=[NH+]CCN2)c1 1675069 171000549 /nfs/dbraw/zinc/00/05/49/171000549.db2.gz MBRFGGHJIHPHGK-UHFFFAOYSA-N 1 0 147.181 0.431 50 0 ACAARO C[NH+]1CCCC1 1692466 171000781 /nfs/dbraw/zinc/00/07/81/171000781.db2.gz AVFZOVWCLRSYKC-UHFFFAOYSA-N 1 0 85.150 0.712 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@@H](O)C1 1695063 171000864 /nfs/dbraw/zinc/00/08/64/171000864.db2.gz UKANCZCEGQDKGF-ZCFIWIBFSA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO CC[NH+](CC)CC(C)=O 1690948 171000897 /nfs/dbraw/zinc/00/08/97/171000897.db2.gz GDXMMBDEMOUTNS-UHFFFAOYSA-N 1 0 129.203 0.917 50 0 in-vitro ACAARO C[C@H]1CC([NH3+])C[C@H](C)O1 1714273 171001158 /nfs/dbraw/zinc/00/11/58/171001158.db2.gz KFHJTIAGNFALSH-WDSKDSINSA-N 1 0 129.203 0.901 50 0 ACAARO C[N@@H+]1CCCC[C@@H]1CCO 1701707 171001442 /nfs/dbraw/zinc/00/14/42/171001442.db2.gz OVMRRCXDBKEQIU-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C1C[NH+]=C2CCCN2C1 1707763 171001579 /nfs/dbraw/zinc/00/15/79/171001579.db2.gz SGUVLZREKBPKCE-UHFFFAOYSA-N 1 0 124.187 0.884 50 0 in-vitro ACAARO C[C@@H]1CC([NH3+])C[C@@H](C)O1 1714272 171001637 /nfs/dbraw/zinc/00/16/37/171001637.db2.gz KFHJTIAGNFALSH-PHDIDXHHSA-N 1 0 129.203 0.901 50 0 ACAARO C=Cn1cc[n+](C)c1 1705336 171001648 /nfs/dbraw/zinc/00/16/48/171001648.db2.gz VPNMTSAIINVZTK-UHFFFAOYSA-N 1 0 109.152 0.413 50 0 ACAARO C[NH+]1CCC(CO)CC1 1705504 171001690 /nfs/dbraw/zinc/00/16/90/171001690.db2.gz KJZLJGZZDNGGCA-UHFFFAOYSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO C[n+]1ccc(C2(C)OCCO2)cc1 1719778 171001974 /nfs/dbraw/zinc/00/19/74/171001974.db2.gz YXNGEXMKUJBFDR-UHFFFAOYSA-N 1 0 180.227 0.731 50 0 ACAARO OCCC[C@H]1CCCC[NH2+]1 1727082 171002283 /nfs/dbraw/zinc/00/22/83/171002283.db2.gz URCTXVMRFKFRMP-MRVPVSSYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO CC1(C)COC[NH2+]1 1850141 171002559 /nfs/dbraw/zinc/00/25/59/171002559.db2.gz GUQMDNQYMMRJPY-UHFFFAOYSA-N 1 0 101.149 0.342 50 0 ACAARO CC(C)[NH+](C)C 1845412 171002825 /nfs/dbraw/zinc/00/28/25/171002825.db2.gz VMOWKUTXPNPTEN-UHFFFAOYSA-N 1 0 87.166 0.956 50 0 ACAARO CC(=O)Nc1ccc[n+](C)c1 1750091 171002906 /nfs/dbraw/zinc/00/29/06/171002906.db2.gz ONNCCSBPWGJRSG-UHFFFAOYSA-O 1 0 151.189 0.470 50 0 ACAARO Cc1cc[nH+]c(N)c1N 1767816 171002930 /nfs/dbraw/zinc/00/29/30/171002930.db2.gz RWGGFJXJRPCCGD-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO OCCC[C@@H]1CCCC[NH2+]1 2014674 171003676 /nfs/dbraw/zinc/00/36/76/171003676.db2.gz URCTXVMRFKFRMP-QMMMGPOBSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO [NH3+]CC1CCC(CO)CC1 2004453 171003757 /nfs/dbraw/zinc/00/37/57/171003757.db2.gz WWDKVICMJWBJKJ-UHFFFAOYSA-N 1 0 143.230 0.744 50 0 ACAARO C[N@@H+]1CCCC[C@H]1CCO 2036712 171003888 /nfs/dbraw/zinc/00/38/88/171003888.db2.gz OVMRRCXDBKEQIU-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[N@H+](C)C1 2039311 171003991 /nfs/dbraw/zinc/00/39/91/171003991.db2.gz LLEOWWWENNCINW-SSDOTTSWSA-N 1 0 157.213 0.501 50 0 biogenic,investigational ACAARO COC(=O)[C@H]1CCC[N@H+](C)C1 2039313 171004160 /nfs/dbraw/zinc/00/41/60/171004160.db2.gz LLEOWWWENNCINW-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 investigational ACAARO C1COC2(CC[NH2+]CC2)OC1 2389986 171005355 /nfs/dbraw/zinc/00/53/55/171005355.db2.gz ZQGLEEFGEZLSAJ-UHFFFAOYSA-N 1 0 157.213 0.503 50 0 in-vitro ACAARO Cc1ccccc1NC(=O)C[NH3+] 2381339 171005399 /nfs/dbraw/zinc/00/53/99/171005399.db2.gz FPOILVHVCSERPJ-UHFFFAOYSA-N 1 0 164.208 0.892 50 0 in-vitro ACAARO CC(=O)OC1CC[NH2+]CC1 2391893 171005515 /nfs/dbraw/zinc/00/55/15/171005515.db2.gz XCOWFHRNGJAHDO-UHFFFAOYSA-N 1 0 143.186 0.302 50 0 in-vitro ACAARO c1cnc([C@@H]2CC[NH2+]C2)cn1 2513100 171005996 /nfs/dbraw/zinc/00/59/96/171005996.db2.gz FKXFAWRHPGWZGE-SSDOTTSWSA-N 1 0 149.197 0.554 50 0 ACAARO c1cnc(OC2CC[NH2+]CC2)nc1 2513135 171006010 /nfs/dbraw/zinc/00/60/10/171006010.db2.gz IAFUZCLDORRBJY-UHFFFAOYSA-N 1 0 179.223 0.607 50 0 in-vitro ACAARO CCN(CC)CC(=O)OC 2522794 171006223 /nfs/dbraw/zinc/00/62/23/171006223.db2.gz YLZLHVWLTRZOJH-UHFFFAOYSA-N 1 0 145.202 0.501 50 0 in-vitro ACAARO F[n+]1ccccc1 2512257 171006286 /nfs/dbraw/zinc/00/62/86/171006286.db2.gz UWDCUCCPBLHLTI-UHFFFAOYSA-N 1 0 98.100 0.707 50 0 in-vitro ACAARO F[C@@H]1CC[NH2+]C1 2525426 171006293 /nfs/dbraw/zinc/00/62/93/171006293.db2.gz CDDGNGVFPQRJJM-SCSAIBSYSA-N 1 0 89.113 0.318 50 0 in-vitro ACAARO c1cnc(OC2CC[NH2+]CC2)cn1 2513134 171006404 /nfs/dbraw/zinc/00/64/04/171006404.db2.gz KFNFTHXHLCBICA-UHFFFAOYSA-N 1 0 179.223 0.607 50 0 in-vitro ACAARO CCOC(=O)C[C@@H]([NH3+])C1CC1 2511901 171006407 /nfs/dbraw/zinc/00/64/07/171006407.db2.gz DARPOOYXGSBFGN-SSDOTTSWSA-N 1 0 157.213 0.677 50 0 ACAARO NC(=S)NCC[NH+]1CCCCC1 2545184 171006720 /nfs/dbraw/zinc/00/67/20/171006720.db2.gz ANIWOJALUCBCGB-UHFFFAOYSA-N 1 0 187.312 0.306 50 0 ACAARO NC(=O)C1CCC(C[NH3+])CC1 2541485 171006740 /nfs/dbraw/zinc/00/67/40/171006740.db2.gz RSILLSRLAWUTAY-UHFFFAOYSA-N 1 0 156.229 0.237 50 0 in-vitro ACAARO [NH3+]Cc1ccc2c(n1)NCCC2 2527505 171006749 /nfs/dbraw/zinc/00/67/49/171006749.db2.gz XPEHODLGQDPVTB-UHFFFAOYSA-N 1 0 163.224 0.898 50 0 ACAARO CC[C@@H](C)C(N)=[NH2+] 2547500 171006802 /nfs/dbraw/zinc/00/68/02/171006802.db2.gz VEXJSFASSDRQRD-SCSAIBSYSA-N 1 0 100.165 0.968 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[NH2+][C@@H]1C 2527169 171006817 /nfs/dbraw/zinc/00/68/17/171006817.db2.gz ZORUKIWYFWDAKK-RNFRBKRXSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO Cc1ccccc1[C@@H](O)C[NH3+] 2529131 171006847 /nfs/dbraw/zinc/00/68/47/171006847.db2.gz CZDCJURGLKNBIV-VIFPVBQESA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO COC(=O)[C@H]1CCC[NH2+][C@@H]1C 2527163 171006903 /nfs/dbraw/zinc/00/69/03/171006903.db2.gz ZORUKIWYFWDAKK-RQJHMYQMSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO COc1ccccc1[C@@H](O)C[NH3+] 2529130 171006904 /nfs/dbraw/zinc/00/69/04/171006904.db2.gz ILFKFOKAPPGUOP-QMMMGPOBSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO C[N@@H+]1CCCC(=O)CC1 2581126 171007864 /nfs/dbraw/zinc/00/78/64/171007864.db2.gz HXCVYSRFFKEHEA-UHFFFAOYSA-N 1 0 127.187 0.671 50 0 in-vitro ACAARO COC(=O)[C@H]1C[NH+]2CCC1CC2 2572336 171007886 /nfs/dbraw/zinc/00/78/86/171007886.db2.gz RSOWDTALVBLZPE-QMMMGPOBSA-N 1 0 169.224 0.501 50 0 in-vitro ACAARO [NH3+]CC1CCOCC1 2577849 171008164 /nfs/dbraw/zinc/00/81/64/171008164.db2.gz IPBPLHNLRKRLPJ-UHFFFAOYSA-N 1 0 115.176 0.372 50 0 biogenic,in-vitro ACAARO CC(C)CC(=O)N1CC[NH2+]CC1 2578523 171008357 /nfs/dbraw/zinc/00/83/57/171008357.db2.gz OHUHHACSCXRQJS-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 in-vitro ACAARO c1cc(C2=[NH+]CCN2)ccn1 3190289 171009293 /nfs/dbraw/zinc/00/92/93/171009293.db2.gz MWJNDHSPXOXMIH-UHFFFAOYSA-N 1 0 147.181 0.431 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1ccc(F)c(F)c1 3295214 171009609 /nfs/dbraw/zinc/00/96/09/171009609.db2.gz VKEOZYCTTXSZOP-UHFFFAOYSA-N 1 0 186.161 0.862 50 0 in-vitro ACAARO CN1CCC([NH2+]C[C@H]2CCCO2)CC1 3683633 171009702 /nfs/dbraw/zinc/00/97/02/171009702.db2.gz ZDXPPVJOETXBJZ-LLVKDONJSA-N 1 0 198.310 0.849 50 0 in-vitro ACAARO [NH3+]Cc1ccc2c(c1)OCCO2 3887793 171010185 /nfs/dbraw/zinc/01/01/85/171010185.db2.gz FUDYRLUSXBRPIA-UHFFFAOYSA-N 1 0 165.192 0.917 50 0 in-vitro ACAARO CCSC(N)=[NH2+] 3806245 171010539 /nfs/dbraw/zinc/01/05/39/171010539.db2.gz VFIZBHJTOHUOEK-UHFFFAOYSA-N 1 0 104.178 0.633 50 0 in-vivo ACAARO c1cnc2c(c1)C[NH2+]C2 4203917 171010749 /nfs/dbraw/zinc/01/07/49/171010749.db2.gz SJMNQXLXIIXDDS-UHFFFAOYSA-N 1 0 120.155 0.685 50 0 in-vitro ACAARO CCN(CC)CC(N)=[NH2+] 4203413 171010959 /nfs/dbraw/zinc/01/09/59/171010959.db2.gz BMFVLJDYYWMBHV-UHFFFAOYSA-N 1 0 129.207 0.264 50 0 ACAARO CN1CCC([NH2+]C[C@@H]2CCCO2)CC1 4030533 171011052 /nfs/dbraw/zinc/01/10/52/171011052.db2.gz ZDXPPVJOETXBJZ-NSHDSACASA-N 1 0 198.310 0.849 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1ccc(F)cc1 4201715 171011143 /nfs/dbraw/zinc/01/11/43/171011143.db2.gz QILHBMOLSGACTC-UHFFFAOYSA-N 1 0 168.171 0.723 50 0 in-vitro ACAARO COc1ccccc1NC(=O)C[NH3+] 4201693 171011408 /nfs/dbraw/zinc/01/14/08/171011408.db2.gz FVEBHWMTYMXJSL-UHFFFAOYSA-N 1 0 180.207 0.592 50 0 ACAARO F[C@H]1CCC[NH2+]C1 4264636 171011786 /nfs/dbraw/zinc/01/17/86/171011786.db2.gz YUKQZLBLVRAJSW-YFKPBYRVSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO COc1ccccc1OC[C@H](O)C[NH3+] 4299046 171011902 /nfs/dbraw/zinc/01/19/02/171011902.db2.gz BUURBCAOIUVUIY-MRVPVSSYSA-N 1 0 197.234 0.394 50 0 ACAARO F[C@@H]1CCC[NH2+]C1 4264639 171011942 /nfs/dbraw/zinc/01/19/42/171011942.db2.gz YUKQZLBLVRAJSW-RXMQYKEDSA-N 1 0 103.140 0.708 50 0 in-vitro ACAARO [NH3+]C1CCN(C(=O)c2ccco2)CC1 4299055 171012093 /nfs/dbraw/zinc/01/20/93/171012093.db2.gz YEHVHAZOHWSZJH-UHFFFAOYSA-N 1 0 194.234 0.843 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](CN2CCOCC2)C1 4312797 171012161 /nfs/dbraw/zinc/01/21/61/171012161.db2.gz ALFVQZQTMWKLKX-JTQLQIEISA-N 1 0 184.283 0.318 50 0 in-vitro ACAARO COc1ccccc1OC[C@@H](O)C[NH3+] 4299047 171012269 /nfs/dbraw/zinc/01/22/69/171012269.db2.gz BUURBCAOIUVUIY-QMMMGPOBSA-N 1 0 197.234 0.394 50 0 ACAARO CC(C)(O)C1CC[NH2+]CC1 4344063 171012885 /nfs/dbraw/zinc/01/28/85/171012885.db2.gz IIXYTWTZMGUQPT-UHFFFAOYSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO [NH3+]C1CCN(C(=O)C2CC2)CC1 4502812 171013333 /nfs/dbraw/zinc/01/33/33/171013333.db2.gz GCYSQXZPDQBVCH-UHFFFAOYSA-N 1 0 168.240 0.346 50 0 in-vitro ACAARO NC(=S)C[NH+]1CCCCC1 4670460 171013463 /nfs/dbraw/zinc/01/34/63/171013463.db2.gz UIZPJCVGVCURNY-UHFFFAOYSA-N 1 0 158.270 0.758 50 0 ACAARO [NH3+]CC(F)F 4716343 171013696 /nfs/dbraw/zinc/01/36/96/171013696.db2.gz OVRWUZYZECPJOB-UHFFFAOYSA-N 1 0 81.065 0.210 50 0 in-vitro ACAARO C[NH+](C)CCSC(N)=[NH2+] 4791968 171014220 /nfs/dbraw/zinc/01/42/20/171014220.db2.gz MUYRPUKYVOXLSN-UHFFFAOYSA-N 1 0 147.247 0.175 50 0 in-vitro ACAARO CCOC(=O)CSC(N)=[NH2+] 5315506 171016189 /nfs/dbraw/zinc/01/61/89/171016189.db2.gz ZXLWFDAADIYVKO-UHFFFAOYSA-N 1 0 162.214 0.176 50 0 ACAARO C[n+]1cccc(C(=O)N=S(C)C)c1 5257631 171016358 /nfs/dbraw/zinc/01/63/58/171016358.db2.gz ZDWJJBPHZLDMFO-UHFFFAOYSA-N 1 0 197.283 0.713 50 0 ACAARO CN1CCCC(=O)C1 5699298 171017294 /nfs/dbraw/zinc/01/72/94/171017294.db2.gz SIKTVUHUQZNEPY-UHFFFAOYSA-N 1 0 113.160 0.281 50 0 in-vitro ACAARO CCOC(=O)C[C@@H]1CCC[NH2+]1 5496127 171017345 /nfs/dbraw/zinc/01/73/45/171017345.db2.gz MYUVDBULNNBWOG-ZETCQYMHSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[NH2+]C1 5607467 171017614 /nfs/dbraw/zinc/01/76/14/171017614.db2.gz BCDBHIAXYFPJCT-ZCFIWIBFSA-N 1 0 143.186 0.159 50 0 in-vitro ACAARO [NH2+]=C1NCn2c(nc3ccccc32)N1 5729216 171018271 /nfs/dbraw/zinc/01/82/71/171018271.db2.gz GJRGAHXIMACQSZ-UHFFFAOYSA-N 1 0 187.206 0.543 50 0 ACAARO Cc1ccc2[nH]c(=NCCO)[nH]c2c1 6065943 171018569 /nfs/dbraw/zinc/01/85/69/171018569.db2.gz INPABJKRULYZFC-UHFFFAOYSA-N 1 0 191.234 0.697 50 0 in-vitro ACAARO COc1ccccc1C(=O)NCC[NH3+] 5880597 171018792 /nfs/dbraw/zinc/01/87/92/171018792.db2.gz ANBVTCVUPAJQLV-UHFFFAOYSA-N 1 0 194.234 0.384 50 0 ACAARO CC[NH+](CC)[C@@H](C)CO 5848707 171018871 /nfs/dbraw/zinc/01/88/71/171018871.db2.gz FBJITINXSJWUMT-ZETCQYMHSA-N 1 0 131.219 0.709 50 0 ACAARO CCSC(N)=[NH+]N 6411412 171019798 /nfs/dbraw/zinc/01/97/98/171019798.db2.gz FJAQOSQLBLPALR-UHFFFAOYSA-N 1 0 119.193 0.138 50 0 ACAARO C[NH+]1CCC(O)(c2cccnc2)CC1 6273989 171019994 /nfs/dbraw/zinc/01/99/94/171019994.db2.gz GHHFIXSVTXTKTH-UHFFFAOYSA-N 1 0 192.262 0.995 50 0 ACAARO Cc1ccccc1C(=O)NCC[NH3+] 6238030 171020005 /nfs/dbraw/zinc/02/00/05/171020005.db2.gz OEIGMXAHEGQPSM-UHFFFAOYSA-N 1 0 178.235 0.684 50 0 in-vitro ACAARO [NH3+]CCC(=O)N1CCCCC1 6679790 171020549 /nfs/dbraw/zinc/02/05/49/171020549.db2.gz WXNXYKNQQCRFSR-UHFFFAOYSA-N 1 0 156.229 0.348 50 0 in-vitro ACAARO OCCC[C@H]1CCC[NH2+]C1 6855276 171021375 /nfs/dbraw/zinc/02/13/75/171021375.db2.gz CHCGEJVYCWSXML-MRVPVSSYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO C[N@@H+]1CCCC[C@@H]1CC[NH3+] 8375751 171021420 /nfs/dbraw/zinc/02/14/20/171021420.db2.gz JHOVBQVZOXCQSI-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO OCCC[C@@H]1CCC[NH2+]C1 6855296 171021446 /nfs/dbraw/zinc/02/14/46/171021446.db2.gz CHCGEJVYCWSXML-QMMMGPOBSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO C[n+]1ccc2c(c1)CCC2 6796004 171021451 /nfs/dbraw/zinc/02/14/51/171021451.db2.gz YINZZIDMVPJDAI-UHFFFAOYSA-N 1 0 134.202 1.000 50 0 ACAARO [NH3+]Cc1ccc2c(c1)NC(=O)CO2 36258774 171021461 /nfs/dbraw/zinc/02/14/61/171021461.db2.gz QJJYZZOVAXLABA-UHFFFAOYSA-N 1 0 178.191 0.476 50 0 in-vitro ACAARO C[NH+](C)C 8216125 171021535 /nfs/dbraw/zinc/02/15/35/171021535.db2.gz GETQZCLCWQTVFV-UHFFFAOYSA-N 1 0 59.112 0.178 50 0 endogenous,in-man ACAARO C[N@@H+]1CCCC[C@H]1CC[NH3+] 8375760 171021547 /nfs/dbraw/zinc/02/15/47/171021547.db2.gz JHOVBQVZOXCQSI-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO COc1ccccc1NC(=O)CC[NH3+] 8732971 171022135 /nfs/dbraw/zinc/02/21/35/171022135.db2.gz JXRAGPMDMNPHMS-UHFFFAOYSA-N 1 0 194.234 0.983 50 0 ACAARO Cc1ccccc1[C@H](O)C[NH3+] 8699504 171022452 /nfs/dbraw/zinc/02/24/52/171022452.db2.gz CZDCJURGLKNBIV-SECBINFHSA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO [NH3+]CC1(O)CCCC1 11755497 171023490 /nfs/dbraw/zinc/02/34/90/171023490.db2.gz FEALJKFIUQDJAV-UHFFFAOYSA-N 1 0 115.176 0.250 50 0 in-vitro ACAARO [NH3+]CCC(=O)NC1CCCCC1 11755115 171023633 /nfs/dbraw/zinc/02/36/33/171023633.db2.gz OHYOQNYNFIQCLU-UHFFFAOYSA-N 1 0 170.256 0.784 50 0 in-vitro ACAARO [NH3+]CCC(=O)NCCc1ccccc1 11755142 171023636 /nfs/dbraw/zinc/02/36/36/171023636.db2.gz GSWICJNVZYUKRT-UHFFFAOYSA-N 1 0 192.262 0.694 50 0 ACAARO [NH3+]CCC(=O)N1CCc2ccccc21 11755161 171023687 /nfs/dbraw/zinc/02/36/87/171023687.db2.gz AYTQSAKTWLODFY-UHFFFAOYSA-N 1 0 190.246 0.925 50 0 ACAARO CCCN(CCC)C(=O)CC[NH3+] 11755276 171023822 /nfs/dbraw/zinc/02/38/22/171023822.db2.gz CZYOSMJXFJWCDH-UHFFFAOYSA-N 1 0 172.272 0.984 50 0 ACAARO [NH3+]CC1=CSC2=NCCN12 11850541 171023925 /nfs/dbraw/zinc/02/39/25/171023925.db2.gz KLSGPRPKBJAGET-UHFFFAOYSA-N 1 0 155.226 0.205 50 0 in-vitro ACAARO [NH3+]CCC(=O)NC1CCCC1 11755114 171024050 /nfs/dbraw/zinc/02/40/50/171024050.db2.gz CYRXLURCHTWKSI-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 in-vitro ACAARO [NH3+]CC1=CSC2=NCCCN12 11757513 171024143 /nfs/dbraw/zinc/02/41/43/171024143.db2.gz VOBPQLHBOFJXQA-UHFFFAOYSA-N 1 0 169.253 0.595 50 0 ACAARO [NH3+]CC(=O)Nc1ccc2c[nH]nc2c1 11957158 171024309 /nfs/dbraw/zinc/02/43/09/171024309.db2.gz MHXYJDNTMVJGAR-UHFFFAOYSA-N 1 0 190.206 0.460 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1ccc(F)cc1F 11957015 171024414 /nfs/dbraw/zinc/02/44/14/171024414.db2.gz CYHDMIJLSXIJHR-UHFFFAOYSA-N 1 0 186.161 0.862 50 0 ACAARO [NH3+]CC1CCN(C(=O)C2CC2)CC1 12343461 171024527 /nfs/dbraw/zinc/02/45/27/171024527.db2.gz MCOASAUGLHDNGH-UHFFFAOYSA-N 1 0 182.267 0.594 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1ccc2c(c1)OCO2 11957182 171024530 /nfs/dbraw/zinc/02/45/30/171024530.db2.gz WHPGBQBVYRZGGJ-UHFFFAOYSA-N 1 0 194.190 0.313 50 0 ACAARO [NH3+]CC(=O)Nc1ccccc1F 11956859 171024741 /nfs/dbraw/zinc/02/47/41/171024741.db2.gz FTIAWEJHCFHJJC-UHFFFAOYSA-N 1 0 168.171 0.723 50 0 ACAARO CCCN(CCC)C(=O)C[NH3+] 11957268 171024785 /nfs/dbraw/zinc/02/47/85/171024785.db2.gz XSCWTEXRVXWWNI-UHFFFAOYSA-N 1 0 158.245 0.594 50 0 in-vitro ACAARO CC1(C)COCC[NH2+]1 11950119 171024956 /nfs/dbraw/zinc/02/49/56/171024956.db2.gz HEYGLTRAXBZNAD-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1cccc(F)c1 11957160 171024961 /nfs/dbraw/zinc/02/49/61/171024961.db2.gz YOMZAZVCZRABSL-UHFFFAOYSA-N 1 0 168.171 0.723 50 0 in-vitro ACAARO [NH3+]Cc1ccc2nccn2c1 12370205 171025227 /nfs/dbraw/zinc/02/52/27/171025227.db2.gz YGXHRFPVDFQLNF-UHFFFAOYSA-N 1 0 147.181 0.793 50 0 in-vitro ACAARO CC(C)CC(=O)N1CCC([NH3+])CC1 12359829 171025480 /nfs/dbraw/zinc/02/54/80/171025480.db2.gz ZAFPTTKRKHUWPN-UHFFFAOYSA-N 1 0 184.283 0.982 50 0 in-vitro ACAARO CC(C)OC(=O)CC[NH3+] 12504870 171025694 /nfs/dbraw/zinc/02/56/94/171025694.db2.gz ZOPZESRASFRAIT-UHFFFAOYSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO COc1ccccc1[C@@H]([NH3+])CO 12404645 171025741 /nfs/dbraw/zinc/02/57/41/171025741.db2.gz XOHKELIJPISIBB-QMMMGPOBSA-N 1 0 167.208 0.687 50 0 in-vitro ACAARO Cn1nccc1CN1CCC([NH3+])CC1 12398817 171025892 /nfs/dbraw/zinc/02/58/92/171025892.db2.gz CSIHQWLBQRLMIQ-UHFFFAOYSA-N 1 0 194.282 0.343 50 0 ACAARO CCOC(=O)C[C@@H](C)[NH+](C)C 13347104 171026087 /nfs/dbraw/zinc/02/60/87/171026087.db2.gz JKSXUJFHXQYFMR-SSDOTTSWSA-N 1 0 159.229 0.890 50 0 in-vitro ACAARO CCO/C=C/[C@@](O)(C[NH3+])C(F)(F)F 12505923 171026266 /nfs/dbraw/zinc/02/62/66/171026266.db2.gz UMACIHMNGIOELS-FCJGRKLLSA-N 1 0 199.172 0.789 50 0 in-vitro ACAARO [NH3+]C1CCN(C(=O)c2ccoc2)CC1 12505840 171026280 /nfs/dbraw/zinc/02/62/80/171026280.db2.gz FFFQQRAYJATYKT-UHFFFAOYSA-N 1 0 194.234 0.843 50 0 in-vitro ACAARO CCO/C=C/[C@](O)(C[NH3+])C(F)(F)F 12505924 171026401 /nfs/dbraw/zinc/02/64/01/171026401.db2.gz UMACIHMNGIOELS-YUDCMIJISA-N 1 0 199.172 0.789 50 0 in-vitro ACAARO C[N+]1=C2c3ccccc3N=CN2CC1 13115691 171026465 /nfs/dbraw/zinc/02/64/65/171026465.db2.gz FNIWBKLQVBSFAO-UHFFFAOYSA-N 1 0 186.238 0.972 50 0 ACAARO [NH3+]Cc1ccc2c(c1)CC(=O)N2 12506755 171026522 /nfs/dbraw/zinc/02/65/22/171026522.db2.gz YRYLTTPCTDJAMT-UHFFFAOYSA-N 1 0 162.192 0.640 50 0 in-vitro ACAARO NC(=O)c1ccc2nccn2c1 13207464 171026684 /nfs/dbraw/zinc/02/66/84/171026684.db2.gz PWWXIULQEXRUCV-UHFFFAOYSA-N 1 0 161.164 0.433 50 0 in-vitro ACAARO NC(=O)c1ccc2c(c1)C[NH2+]CC2 13518376 171027530 /nfs/dbraw/zinc/02/75/30/171027530.db2.gz DPCGMMLZFLMVGJ-UHFFFAOYSA-N 1 0 176.219 0.431 50 0 ACAARO c1cncc(N2CCC[NH2+]CC2)c1 13704061 171028033 /nfs/dbraw/zinc/02/80/33/171028033.db2.gz JBOVXXZNZSULJJ-UHFFFAOYSA-N 1 0 177.251 0.881 50 0 in-vitro ACAARO [NH3+]CC1(O)Cc2ccccc2C1 13858485 171028358 /nfs/dbraw/zinc/02/83/58/171028358.db2.gz XBYIWCFPKUDVOF-UHFFFAOYSA-N 1 0 163.220 0.475 50 0 in-vitro ACAARO CC1(C(=O)N2CCCC2)CC[NH2+]CC1 14984816 171028729 /nfs/dbraw/zinc/02/87/29/171028729.db2.gz VMZBMCVXUDHSQD-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 in-vitro ACAARO C[C@@H]1CC(O)C[C@@H](C)[NH2+]1 14982729 171028733 /nfs/dbraw/zinc/02/87/33/171028733.db2.gz IEMVEYRBXJCBBQ-PHDIDXHHSA-N 1 0 129.203 0.508 50 0 ACAARO C[C@H]1CC(O)C[C@H](C)[NH2+]1 14982735 171029302 /nfs/dbraw/zinc/02/93/02/171029302.db2.gz IEMVEYRBXJCBBQ-WDSKDSINSA-N 1 0 129.203 0.508 50 0 ACAARO C[N@@H+]1CCCC[C@H]1C(CO)CO 15781495 171029816 /nfs/dbraw/zinc/02/98/16/171029816.db2.gz ATUHEEACQURBNU-VIFPVBQESA-N 1 0 173.256 0.072 50 0 ACAARO C[N@@H+]1CCCC[C@@H]1C(CO)CO 15781493 171029899 /nfs/dbraw/zinc/02/98/99/171029899.db2.gz ATUHEEACQURBNU-SECBINFHSA-N 1 0 173.256 0.072 50 0 ACAARO C[NH+]1CCC(NC(=O)C2CC2)CC1 16603136 171030098 /nfs/dbraw/zinc/03/00/98/171030098.db2.gz ZCBWCNANMIEFMZ-UHFFFAOYSA-N 1 0 182.267 0.607 50 0 ACAARO C[NH+]1CCC(NC(=O)C2CCC2)CC1 16604963 171030251 /nfs/dbraw/zinc/03/02/51/171030251.db2.gz UIGGFUFSBHTMQZ-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO Cc1ccnc(C[NH3+])c1 16124523 171030491 /nfs/dbraw/zinc/03/04/91/171030491.db2.gz QVDFBCYBLHPIOI-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO Oc1ccc(C2=[NH+]CCN2)cc1 16123857 171030535 /nfs/dbraw/zinc/03/05/35/171030535.db2.gz NPDVQVNFWYFKNU-UHFFFAOYSA-N 1 0 162.192 0.742 50 0 ACAARO Oc1cccc(C2=[NH+]CCN2)c1 16123860 171030626 /nfs/dbraw/zinc/03/06/26/171030626.db2.gz YMULJMVKZKHEEH-UHFFFAOYSA-N 1 0 162.192 0.742 50 0 ACAARO [NH3+]CC1(CO)CCCC1 19091065 171033345 /nfs/dbraw/zinc/03/33/45/171033345.db2.gz WUROIEARWDBJIO-UHFFFAOYSA-N 1 0 129.203 0.498 50 0 in-vitro ACAARO CCC[NH2+][C@@H](C)CO 19092659 171033348 /nfs/dbraw/zinc/03/33/48/171033348.db2.gz RBDMEECWQBIBGN-LURJTMIESA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO [NH3+]CC1(CO)CCC1 19091062 171033356 /nfs/dbraw/zinc/03/33/56/171033356.db2.gz ZDGSQIAVDXICTE-UHFFFAOYSA-N 1 0 115.176 0.108 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1cc(F)ccc1F 19093276 171033421 /nfs/dbraw/zinc/03/34/21/171033421.db2.gz OEDRYZOTPDYMBI-UHFFFAOYSA-N 1 0 186.161 0.862 50 0 in-vitro ACAARO C[NH+]1CCC2(CC1)NC(=O)NC2=O 19230096 171033475 /nfs/dbraw/zinc/03/34/75/171033475.db2.gz ZGSNEAYELPMHGT-UHFFFAOYSA-N 1 0 183.211 0.131 50 0 in-vitro ACAARO c1ccc(CCN2CC[NH2+]CC2)nc1 19229966 171033512 /nfs/dbraw/zinc/03/35/12/171033512.db2.gz NJUNCRDVGUBYCB-UHFFFAOYSA-N 1 0 191.278 0.529 50 0 in-vitro ACAARO c1ccc(CN2CC[NH2+]CC2)nc1 19361838 171033513 /nfs/dbraw/zinc/03/35/13/171033513.db2.gz NATRYEXANYVWAW-UHFFFAOYSA-N 1 0 177.251 0.487 50 0 in-vitro ACAARO C[NH+]1CCC2(CC1)CNC(=O)C2 19091869 171033550 /nfs/dbraw/zinc/03/35/50/171033550.db2.gz VPRICBVWISBIQT-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO NC(=S)C1CC[NH2+]CC1 19089007 171033575 /nfs/dbraw/zinc/03/35/75/171033575.db2.gz LXOBYAWHAIZPPU-UHFFFAOYSA-N 1 0 144.243 0.272 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1nccs1 19093156 171033687 /nfs/dbraw/zinc/03/36/87/171033687.db2.gz JVRRHVNPKGSGSX-UHFFFAOYSA-N 1 0 157.198 0.040 50 0 in-vitro ACAARO [NH3+]CC1(CN2CCOCC2)CC1 19092019 171033691 /nfs/dbraw/zinc/03/36/91/171033691.db2.gz IVQHZQNJTYWCNZ-UHFFFAOYSA-N 1 0 170.256 0.058 50 0 in-vitro ACAARO CCOC(=O)C[C@@H]([NH3+])C(C)C 19089759 171033704 /nfs/dbraw/zinc/03/37/04/171033704.db2.gz UEXXWHOBPJEQJJ-SSDOTTSWSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO [NH3+]Cc1ccc2nonc2c1 19087889 171033763 /nfs/dbraw/zinc/03/37/63/171033763.db2.gz SJBQXDAJQLKGKC-UHFFFAOYSA-N 1 0 149.153 0.682 50 0 in-vitro ACAARO [NH3+]CC1(Cn2cccn2)CC1 19091840 171033782 /nfs/dbraw/zinc/03/37/82/171033782.db2.gz KLSLGEOJPPVCBX-UHFFFAOYSA-N 1 0 151.213 0.622 50 0 ACAARO [NH3+]CC1(Cn2ccnc2)CC1 19091845 171033801 /nfs/dbraw/zinc/03/38/01/171033801.db2.gz BMPMBBWPKSTTIE-UHFFFAOYSA-N 1 0 151.213 0.622 50 0 in-vitro ACAARO CN(C)C(=O)CC1CC[NH2+]CC1 19504609 171034150 /nfs/dbraw/zinc/03/41/50/171034150.db2.gz QLGTUZHDVFYBCD-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 in-vitro ACAARO CN(C)C(=O)C1([NH3+])CCCCC1 19484382 171034274 /nfs/dbraw/zinc/03/42/74/171034274.db2.gz GBQZIWLYKBNXBX-UHFFFAOYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO NC(=S)CC[NH+]1CCCC1 19487438 171034311 /nfs/dbraw/zinc/03/43/11/171034311.db2.gz QYOZQYAKXVBNDX-UHFFFAOYSA-N 1 0 158.270 0.758 50 0 ACAARO CCCN(CCC)C(=O)C[NH2+]C 19424177 171034402 /nfs/dbraw/zinc/03/44/02/171034402.db2.gz NJCFYJXPDSCLAK-UHFFFAOYSA-N 1 0 172.272 0.854 50 0 ACAARO [NH3+]CC(=O)N1CCCCCC1 19432716 171034405 /nfs/dbraw/zinc/03/44/05/171034405.db2.gz SMKSFQOKWFVPPK-UHFFFAOYSA-N 1 0 156.229 0.348 50 0 ACAARO CC(C)N(C)C(=O)C1CC[NH2+]CC1 19410615 171034472 /nfs/dbraw/zinc/03/44/72/171034472.db2.gz QMYFFOVYQNMFKO-UHFFFAOYSA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO c1cc(CN2CC[NH2+]CC2)ccn1 19369592 171034524 /nfs/dbraw/zinc/03/45/24/171034524.db2.gz XZYLSJPLCLKCMR-UHFFFAOYSA-N 1 0 177.251 0.487 50 0 in-vitro ACAARO NC(=S)C[NH+]1CCCC1 19480520 171034535 /nfs/dbraw/zinc/03/45/35/171034535.db2.gz QCKBBLGKMHPCSF-UHFFFAOYSA-N 1 0 144.243 0.368 50 0 in-vitro ACAARO c1cc(CN2CC[NH2+]CC2)no1 19362177 171034629 /nfs/dbraw/zinc/03/46/29/171034629.db2.gz VJMTXOUUYNPWLF-UHFFFAOYSA-N 1 0 167.212 0.080 50 0 in-vitro ACAARO CCCN(CCC)C(=O)[C@@H](C)[NH3+] 19432702 171034637 /nfs/dbraw/zinc/03/46/37/171034637.db2.gz AZHUMSKXUDUMAU-MRVPVSSYSA-N 1 0 172.272 0.982 50 0 ACAARO [NH3+]CC1(N2CCOCC2)CCCCC1 19362023 171034675 /nfs/dbraw/zinc/03/46/75/171034675.db2.gz MCIDPQNLGSHVEJ-UHFFFAOYSA-N 1 0 198.310 0.980 50 0 in-vitro ACAARO c1cnc2n[nH]c(C3C[NH2+]C3)c2c1 19686512 171034856 /nfs/dbraw/zinc/03/48/56/171034856.db2.gz KKWJJHDKDRSSKB-UHFFFAOYSA-N 1 0 174.207 0.645 50 0 ACAARO c1cc(C2CC[NH2+]CC2)ncn1 19686346 171034886 /nfs/dbraw/zinc/03/48/86/171034886.db2.gz NXWUMAKDYWLFIS-UHFFFAOYSA-N 1 0 163.224 0.944 50 0 in-vitro ACAARO CN(C)c1cncc([C@H]2CCC[NH2+]2)n1 19686781 171034902 /nfs/dbraw/zinc/03/49/02/171034902.db2.gz WVLYKGKHRJXVTJ-MRVPVSSYSA-N 1 0 192.266 0.967 50 0 ACAARO CN(C)c1cncc([C@@H]2CCC[NH2+]2)n1 19686779 171034931 /nfs/dbraw/zinc/03/49/31/171034931.db2.gz WVLYKGKHRJXVTJ-QMMMGPOBSA-N 1 0 192.266 0.967 50 0 ACAARO CC(C)CC(=O)N1CCC[NH2+]CC1 19679924 171034999 /nfs/dbraw/zinc/03/49/99/171034999.db2.gz AEBLYKSUJSUQLD-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CN(C)c1nccc([C@@H]2CC[NH2+]C2)n1 19686810 171035029 /nfs/dbraw/zinc/03/50/29/171035029.db2.gz XCASHPSQIVOHLJ-MRVPVSSYSA-N 1 0 192.266 0.620 50 0 ACAARO CN(C)c1nccc([C@H]2CCC[NH2+]2)n1 19686336 171035096 /nfs/dbraw/zinc/03/50/96/171035096.db2.gz QVDVTYGOEXPFDN-MRVPVSSYSA-N 1 0 192.266 0.967 50 0 ACAARO CN(C)c1nccc([C@@H]2CCC[NH2+]2)n1 19686334 171035153 /nfs/dbraw/zinc/03/51/53/171035153.db2.gz QVDVTYGOEXPFDN-QMMMGPOBSA-N 1 0 192.266 0.967 50 0 ACAARO CN(C)c1nccc([C@H]2CC[NH2+]C2)n1 19686812 171035191 /nfs/dbraw/zinc/03/51/91/171035191.db2.gz XCASHPSQIVOHLJ-QMMMGPOBSA-N 1 0 192.266 0.620 50 0 ACAARO c1cncc(CN2CC[NH2+]CC2)c1 19702362 171035299 /nfs/dbraw/zinc/03/52/99/171035299.db2.gz UNGUQQBXDOAOQO-UHFFFAOYSA-N 1 0 177.251 0.487 50 0 in-vitro ACAARO c1cc(C2CC[NH2+]CC2)n[nH]1 19685960 171035309 /nfs/dbraw/zinc/03/53/09/171035309.db2.gz FCKYIGWJVZIPLK-UHFFFAOYSA-N 1 0 151.213 0.877 50 0 ACAARO c1cc(C2C[NH2+]C2)n[nH]1 19686510 171035313 /nfs/dbraw/zinc/03/53/13/171035313.db2.gz CMLYUYXCLKBTDM-UHFFFAOYSA-N 1 0 123.159 0.097 50 0 ACAARO CN(C)c1ccc(C(N)=[NH2+])cn1 19510114 171035393 /nfs/dbraw/zinc/03/53/93/171035393.db2.gz WBRDXQRWVXOANY-UHFFFAOYSA-N 1 0 164.212 0.432 50 0 in-vitro ACAARO [NH3+]C[C@]1(O)CCc2ccccc21 19727338 171035414 /nfs/dbraw/zinc/03/54/14/171035414.db2.gz STXJWRAZXHJWQO-SNVBAGLBSA-N 1 0 163.220 0.779 50 0 in-vitro ACAARO CC(C)(O)CCN1CC[NH2+]CC1 19722038 171035440 /nfs/dbraw/zinc/03/54/40/171035440.db2.gz YBASWHAGJKHKTN-UHFFFAOYSA-N 1 0 172.272 0.053 50 0 ACAARO C[NH+](C)CCOc1ccc(N)cn1 19754087 171035691 /nfs/dbraw/zinc/03/56/91/171035691.db2.gz GXXKHIYFTNGUKM-UHFFFAOYSA-N 1 0 181.239 0.604 50 0 in-vitro ACAARO CC[NH+](CC)[C@@H](C)CN 19735765 171035882 /nfs/dbraw/zinc/03/58/82/171035882.db2.gz JNFLSJUGIONDMJ-ZETCQYMHSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO [NH3+]CC(F)(F)C(F)F 19836500 171036065 /nfs/dbraw/zinc/03/60/65/171036065.db2.gz ZHCINVLBWAIBRN-UHFFFAOYSA-N 1 0 131.072 0.846 50 0 in-vitro ACAARO CC(C)N(C)C(N)=[NH2+] 19874145 171036763 /nfs/dbraw/zinc/03/67/63/171036763.db2.gz AEKXWVSPVCTOIA-UHFFFAOYSA-N 1 0 115.180 0.220 50 0 in-vitro ACAARO C1C[NH2+]CCSC1 20216505 171037451 /nfs/dbraw/zinc/03/74/51/171037451.db2.gz OQFUNFPIPRUQAE-UHFFFAOYSA-N 1 0 117.217 0.713 50 0 in-vitro ACAARO Cc1ccccc1C[C@H]([NH3+])CO 20268016 171037477 /nfs/dbraw/zinc/03/74/77/171037477.db2.gz YVWFFJRQKHLWQV-JTQLQIEISA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO Cc1ccccc1C[C@@H]([NH3+])CO 20268015 171037590 /nfs/dbraw/zinc/03/75/90/171037590.db2.gz YVWFFJRQKHLWQV-SNVBAGLBSA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO COc1ccccc1C[C@H]([NH3+])CO 20268030 171037599 /nfs/dbraw/zinc/03/75/99/171037599.db2.gz RANUGARSDWUCCI-VIFPVBQESA-N 1 0 181.235 0.557 50 0 ACAARO CC(C)(C)C(=O)N1CCC([NH3+])CC1 20267656 171037604 /nfs/dbraw/zinc/03/76/04/171037604.db2.gz LGPNCEHZFHZVGO-UHFFFAOYSA-N 1 0 184.283 0.982 50 0 in-vitro ACAARO O[C@@H](CN1CC[NH2+]CC1)c1ccco1 20264212 171037681 /nfs/dbraw/zinc/03/76/81/171037681.db2.gz UEEAIVAMUGLAFR-VIFPVBQESA-N 1 0 196.250 0.218 50 0 in-vitro ACAARO CC(=O)Nc1cccc(OCC[NH3+])c1 20224627 171037687 /nfs/dbraw/zinc/03/76/87/171037687.db2.gz UFVPUUQXTLJKAB-UHFFFAOYSA-N 1 0 194.234 0.983 50 0 in-vitro ACAARO COc1ccccc1C[C@@H]([NH3+])CO 20268029 171037999 /nfs/dbraw/zinc/03/79/99/171037999.db2.gz RANUGARSDWUCCI-SECBINFHSA-N 1 0 181.235 0.557 50 0 ACAARO O=c1cc(C2CC[NH2+]CC2)[nH][nH]1 20213285 171038002 /nfs/dbraw/zinc/03/80/02/171038002.db2.gz ZEIPMWRDENQLAY-UHFFFAOYSA-N 1 0 167.212 0.582 50 0 in-vitro ACAARO c1cc(CN2CC[NH2+]CC2)on1 20253465 171038020 /nfs/dbraw/zinc/03/80/20/171038020.db2.gz LQODNXYCBXGONE-UHFFFAOYSA-N 1 0 167.212 0.080 50 0 ACAARO [NH3+]C[C@]1(O)CCOc2ccccc21 20398360 171038345 /nfs/dbraw/zinc/03/83/45/171038345.db2.gz LJIMCZDPGHYLKP-SNVBAGLBSA-N 1 0 179.219 0.615 50 0 ACAARO CC(C)(C)C(=O)CN1CC[NH2+]CC1 20282632 171038533 /nfs/dbraw/zinc/03/85/33/171038533.db2.gz JLBKUCZVQDCILY-UHFFFAOYSA-N 1 0 184.283 0.507 50 0 ACAARO c1cnc2c(c1)C[NH2+]CC2 20282822 171038974 /nfs/dbraw/zinc/03/89/74/171038974.db2.gz FPEAARFNXIWCTP-UHFFFAOYSA-N 1 0 134.182 0.727 50 0 in-vitro ACAARO [NH3+]C1CCN(CC(F)(F)F)CC1 20282544 171039030 /nfs/dbraw/zinc/03/90/30/171039030.db2.gz JJGAYYBQGNJNJQ-UHFFFAOYSA-N 1 0 182.189 0.972 50 0 in-vitro ACAARO OC1(Cc2ccccn2)CC[NH2+]CC1 20439057 171039184 /nfs/dbraw/zinc/03/91/84/171039184.db2.gz LXUHUVGWIFPFGR-UHFFFAOYSA-N 1 0 192.262 0.739 50 0 ACAARO Cc1ccnc(C[NH3+])n1 20441605 171039275 /nfs/dbraw/zinc/03/92/75/171039275.db2.gz MBVLWFLZWJQUQW-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CC(C)CC(=O)N1CCC[C@H]([NH3+])C1 20468448 171039330 /nfs/dbraw/zinc/03/93/30/171039330.db2.gz TZKNDZVHVOCMQJ-VIFPVBQESA-N 1 0 184.283 0.982 50 0 ACAARO O=C1NC(=O)[C@@]2(C[NH+]3CCC2CC3)N1 20442072 171039434 /nfs/dbraw/zinc/03/94/34/171039434.db2.gz IKRSGHMLOHITNH-VIFPVBQESA-N 1 0 195.222 0.131 50 0 in-vitro ACAARO c1cnc2c(c1)CC[NH2+]C2 20446506 171039517 /nfs/dbraw/zinc/03/95/17/171039517.db2.gz SRQJSMFCZYZSLB-UHFFFAOYSA-N 1 0 134.182 0.727 50 0 in-vitro ACAARO O=C1NC(=O)[C@]2(C[NH+]3CCC2CC3)N1 20442076 171039635 /nfs/dbraw/zinc/03/96/35/171039635.db2.gz IKRSGHMLOHITNH-SECBINFHSA-N 1 0 195.222 0.131 50 0 in-vitro ACAARO CC(C)CC(=O)N1CCC[C@@H]([NH3+])C1 20468447 171039700 /nfs/dbraw/zinc/03/97/00/171039700.db2.gz TZKNDZVHVOCMQJ-SECBINFHSA-N 1 0 184.283 0.982 50 0 ACAARO C[N@@H+]1CCC[C@@H](O)CC1 21298462 171040347 /nfs/dbraw/zinc/04/03/47/171040347.db2.gz GLXOHWLGZMRLRM-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC1(C)C[C@@H]1C[NH3+] 21953293 171041189 /nfs/dbraw/zinc/04/11/89/171041189.db2.gz FPMPHZAUZKHZNK-RXMQYKEDSA-N 1 0 99.177 0.991 50 0 in-vitro ACAARO CC1(C)C[C@H]1C[NH3+] 21953296 171041354 /nfs/dbraw/zinc/04/13/54/171041354.db2.gz FPMPHZAUZKHZNK-YFKPBYRVSA-N 1 0 99.177 0.991 50 0 in-vitro ACAARO [NH3+]C1CCC2(CC1)OCCO2 22216155 171041940 /nfs/dbraw/zinc/04/19/40/171041940.db2.gz KDAFVGCPLFJMHY-UHFFFAOYSA-N 1 0 157.213 0.631 50 0 in-vitro ACAARO [NH3+]CCC(=O)N1CCCCCC1 22221006 171041975 /nfs/dbraw/zinc/04/19/75/171041975.db2.gz WADIBBBJYAFYCT-UHFFFAOYSA-N 1 0 170.256 0.738 50 0 in-vitro ACAARO [NH3+]C1CCN(C(=O)C2CCC2)CC1 22149213 171042044 /nfs/dbraw/zinc/04/20/44/171042044.db2.gz AQACJKPILBMRGP-UHFFFAOYSA-N 1 0 182.267 0.736 50 0 in-vitro ACAARO [NH3+]C1CCN(CC(F)F)CC1 22637835 171042433 /nfs/dbraw/zinc/04/24/33/171042433.db2.gz GNQSOMJHGLZMJE-UHFFFAOYSA-N 1 0 164.199 0.675 50 0 in-vitro ACAARO c1cc(CCN2CC[NH2+]CC2)ccn1 22852070 171042483 /nfs/dbraw/zinc/04/24/83/171042483.db2.gz PXJMEKXBONLMNG-UHFFFAOYSA-N 1 0 191.278 0.529 50 0 in-vitro ACAARO c1cncc(CN2CCC[NH2+]CC2)c1 22935994 171042525 /nfs/dbraw/zinc/04/25/25/171042525.db2.gz MXQPXVVTZOHEKW-UHFFFAOYSA-N 1 0 191.278 0.877 50 0 ACAARO c1cc(CN2CCC[NH2+]CC2)ccn1 22935991 171042561 /nfs/dbraw/zinc/04/25/61/171042561.db2.gz BSSOBVDBEBZUJL-UHFFFAOYSA-N 1 0 191.278 0.877 50 0 ACAARO C1C[N@@H+]2[C@H](CN1)[C@H]1CC[C@@H]2C1 22921700 171042617 /nfs/dbraw/zinc/04/26/17/171042617.db2.gz FXDOBDLENLQBBY-DJLDLDEBSA-N 1 0 152.241 0.443 50 0 ACAARO CC(C)(C)[C@@H]([NH3+])CN1CCOCC1 23069334 171042640 /nfs/dbraw/zinc/04/26/40/171042640.db2.gz DKPDLTGDTFHZCE-VIFPVBQESA-N 1 0 186.299 0.692 50 0 ACAARO c1cnc2c(n1)CC[NH2+]C2 24190158 171042866 /nfs/dbraw/zinc/04/28/66/171042866.db2.gz XPONSZGOXQPNGL-UHFFFAOYSA-N 1 0 135.170 0.122 50 0 in-vitro ACAARO c1c[nH]c(C[NH2+]C2CC2)n1 22861381 171042970 /nfs/dbraw/zinc/04/29/70/171042970.db2.gz YAABIHNYMABHCT-UHFFFAOYSA-N 1 0 137.186 0.662 50 0 ACAARO OC1(C2CC2)CC[NH2+]CC1 23789531 171043025 /nfs/dbraw/zinc/04/30/25/171043025.db2.gz AHIDHDSSUAYXBC-UHFFFAOYSA-N 1 0 141.214 0.511 50 0 in-vitro ACAARO c1cc(C2C[NH2+]C2)ncn1 23894232 171043061 /nfs/dbraw/zinc/04/30/61/171043061.db2.gz MHOUSAQYMWHVNZ-UHFFFAOYSA-N 1 0 135.170 0.163 50 0 in-vitro ACAARO C1C[N@H+]2[C@@H]3CC[C@@H](C3)[C@@H]2CN1 22921696 171043156 /nfs/dbraw/zinc/04/31/56/171043156.db2.gz FXDOBDLENLQBBY-YIZRAAEISA-N 1 0 152.241 0.443 50 0 ACAARO [NH3+]CC1(N2CCOCC2)CCCC1 23094274 171043199 /nfs/dbraw/zinc/04/31/99/171043199.db2.gz JNCPKKGFSCOURD-UHFFFAOYSA-N 1 0 184.283 0.590 50 0 in-vitro ACAARO c1ccc(CN2CCC[NH2+]CC2)nc1 22926527 171043259 /nfs/dbraw/zinc/04/32/59/171043259.db2.gz ZXINKXGHIZTUQX-UHFFFAOYSA-N 1 0 191.278 0.877 50 0 ACAARO c1cncc(C2C[NH2+]C2)c1 23894218 171043299 /nfs/dbraw/zinc/04/32/99/171043299.db2.gz NICDQCJISYGBRN-UHFFFAOYSA-N 1 0 134.182 0.768 50 0 in-vitro ACAARO c1ccc(C2C[NH2+]C2)nc1 23894229 171043339 /nfs/dbraw/zinc/04/33/39/171043339.db2.gz YYWMJKZHVDFSHE-UHFFFAOYSA-N 1 0 134.182 0.768 50 0 in-vitro ACAARO c1cc(C2C[NH2+]C2)ccn1 23894215 171043369 /nfs/dbraw/zinc/04/33/69/171043369.db2.gz NMTRJQSTTCLCTR-UHFFFAOYSA-N 1 0 134.182 0.768 50 0 in-vitro ACAARO c1cnc2c(c1)C[NH2+]CCO2 23670977 171043471 /nfs/dbraw/zinc/04/34/71/171043471.db2.gz WLBFWQVBUBLMSS-UHFFFAOYSA-N 1 0 150.181 0.564 50 0 in-vitro ACAARO OC1(C2CC[NH2+]CC2)CC1 204018589 171043959 /nfs/dbraw/zinc/04/39/59/171043959.db2.gz CHGCHEYIMSEZOO-UHFFFAOYSA-N 1 0 141.214 0.511 50 0 in-vitro ACAARO COc1ccccc1C[C@](C)([NH3+])CO 38124747 171044089 /nfs/dbraw/zinc/04/40/89/171044089.db2.gz DZAROKGDMCLNAC-NSHDSACASA-N 1 0 195.262 0.947 50 0 in-vitro ACAARO c1cncc(OC2C[NH2+]C2)c1 26007184 171044263 /nfs/dbraw/zinc/04/42/63/171044263.db2.gz QTFWLMMAUAFUMN-UHFFFAOYSA-N 1 0 150.181 0.432 50 0 in-vitro ACAARO COc1ccccc1C[C@@](C)([NH3+])CO 38124746 171044285 /nfs/dbraw/zinc/04/42/85/171044285.db2.gz DZAROKGDMCLNAC-LLVKDONJSA-N 1 0 195.262 0.947 50 0 in-vitro ACAARO CC(=O)Nc1cccc(NC(N)=[NH2+])c1 26423546 171044863 /nfs/dbraw/zinc/04/48/63/171044863.db2.gz UCUNRBHZCYABOH-UHFFFAOYSA-N 1 0 192.222 0.950 50 0 ACAARO c1c[nH]c(C2CC[NH2+]CC2)n1 26461390 171045097 /nfs/dbraw/zinc/04/50/97/171045097.db2.gz YJNKIVCXVAKYRD-UHFFFAOYSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO Cc1ccc2nc(C[NH3+])[nH]c2n1 26460093 171045133 /nfs/dbraw/zinc/04/51/33/171045133.db2.gz PCQHDMMVOOBIHK-UHFFFAOYSA-N 1 0 162.196 0.725 50 0 ACAARO c1cnc([C@H]2CCC[NH2+]2)cn1 26461194 171045265 /nfs/dbraw/zinc/04/52/65/171045265.db2.gz BWILWNGVMGQILB-SSDOTTSWSA-N 1 0 149.197 0.901 50 0 in-vitro ACAARO c1cnc([C@@H]2CCC[NH2+]2)cn1 26461199 171045309 /nfs/dbraw/zinc/04/53/09/171045309.db2.gz BWILWNGVMGQILB-ZETCQYMHSA-N 1 0 149.197 0.901 50 0 in-vitro ACAARO OCCC[C@@H]1CCC[NH2+]1 26898530 171045836 /nfs/dbraw/zinc/04/58/36/171045836.db2.gz JAAFQZNROQTUIW-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO CC(C)(O)CC[NH3+] 26896713 171045888 /nfs/dbraw/zinc/04/58/88/171045888.db2.gz PUSZHIWAFZLOMD-UHFFFAOYSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CC1(C(N)=[NH2+])CC1 26898073 171046057 /nfs/dbraw/zinc/04/60/57/171046057.db2.gz YVODAGKDGITUPJ-UHFFFAOYSA-N 1 0 98.149 0.722 50 0 in-vitro ACAARO OCCC[C@H]1CCC[NH2+]1 26898533 171046059 /nfs/dbraw/zinc/04/60/59/171046059.db2.gz JAAFQZNROQTUIW-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO C[C@@H]1OCC2(CC[NH2+]CC2)O1 27549581 171046665 /nfs/dbraw/zinc/04/66/65/171046665.db2.gz FDFOTAGGJONTSD-SSDOTTSWSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[C@@H]1[NH3+] 32099099 171049763 /nfs/dbraw/zinc/04/97/63/171049763.db2.gz RGXCCQQWSIEIEF-RITPCOANSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO [NH3+]C12CC3C[C@@H](C1)C(O)[C@H](C3)C2 32920072 171050332 /nfs/dbraw/zinc/05/03/32/171050332.db2.gz IQZMKGCMSXOILZ-ALPUWHEMSA-N 1 0 167.252 0.885 50 0 ACAARO [NH3+]Cc1ccc2n[nH]nc2c1 32600326 171050429 /nfs/dbraw/zinc/05/04/29/171050429.db2.gz HFJXZTKRHRFTPK-UHFFFAOYSA-N 1 0 148.169 0.417 50 0 in-vitro ACAARO CN1CCCC[C@H]1C[NH3+] 32445551 171050451 /nfs/dbraw/zinc/05/04/51/171050451.db2.gz PPUMJZMVFCLQBI-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CN1CCCC[C@@H]1C[NH3+] 32445550 171050535 /nfs/dbraw/zinc/05/05/35/171050535.db2.gz PPUMJZMVFCLQBI-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[NH+](CC)CC1(N)CC1 32445533 171050616 /nfs/dbraw/zinc/05/06/16/171050616.db2.gz AFLJYQVZKSWYLC-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 ACAARO c1c[nH]c([C@@H]2CCC[NH2+]2)n1 32914832 171050753 /nfs/dbraw/zinc/05/07/53/171050753.db2.gz JUJYNCPRVMVRCV-LURJTMIESA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO [NH3+]CC1CCC2(CC1)OCCO2 32629239 171050797 /nfs/dbraw/zinc/05/07/97/171050797.db2.gz OEBYRQFXIBUGSR-UHFFFAOYSA-N 1 0 171.240 0.878 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](N2CCCC2)C1 32445549 171050800 /nfs/dbraw/zinc/05/08/00/171050800.db2.gz DSRVXZMXCPNZDO-VIFPVBQESA-N 1 0 154.257 0.834 50 0 in-vitro ACAARO CN1CCC[C@@H]([NH3+])C1 32445477 171050822 /nfs/dbraw/zinc/05/08/22/171050822.db2.gz QZSACHHNFDNCNB-ZCFIWIBFSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](c2nnc3n2CCC3)C1 32627471 171050889 /nfs/dbraw/zinc/05/08/89/171050889.db2.gz PLXWEVMKYRZMMI-QMMMGPOBSA-N 1 0 192.266 0.691 50 0 in-vitro ACAARO C[NH+]1CCC(c2nnc(N)o2)CC1 33414666 171050929 /nfs/dbraw/zinc/05/09/29/171050929.db2.gz LIJNHHNZLNRFDS-UHFFFAOYSA-N 1 0 182.227 0.461 50 0 ACAARO Cn1nccc1C1CC[NH2+]CC1 33487579 171051258 /nfs/dbraw/zinc/05/12/58/171051258.db2.gz CRBVTTLKUJAYDY-UHFFFAOYSA-N 1 0 165.240 0.887 50 0 in-vitro ACAARO [NH3+]CC1(c2cnccn2)CC1 33487074 171051680 /nfs/dbraw/zinc/05/16/80/171051680.db2.gz HMTGTLHUGUOYPJ-UHFFFAOYSA-N 1 0 149.197 0.467 50 0 ACAARO CC(=O)CCC[NH3+] 34101527 171052839 /nfs/dbraw/zinc/05/28/39/171052839.db2.gz VTHKLCWOLNQWHB-UHFFFAOYSA-N 1 0 101.149 0.314 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC[N@H+](C)C1 34085380 171053006 /nfs/dbraw/zinc/05/30/06/171053006.db2.gz ZWWOGQHZGYEOFM-ZCFIWIBFSA-N 1 0 143.186 0.111 50 0 ACAARO COC(=O)[C@H]1CC[N@H+](C)C1 34085378 171053034 /nfs/dbraw/zinc/05/30/34/171053034.db2.gz ZWWOGQHZGYEOFM-LURJTMIESA-N 1 0 143.186 0.111 50 0 ACAARO CC(C)CC(=O)C[NH3+] 34128962 171053115 /nfs/dbraw/zinc/05/31/15/171053115.db2.gz LLXOMWAOBYXBDE-UHFFFAOYSA-N 1 0 115.176 0.560 50 0 ACAARO COC1=CCC[N@H+](C)C1 34227156 171053687 /nfs/dbraw/zinc/05/36/87/171053687.db2.gz ZVLYIVWDEAHCOQ-UHFFFAOYSA-N 1 0 127.187 0.852 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[C@H]1[NH3+] 34347989 171054953 /nfs/dbraw/zinc/05/49/53/171054953.db2.gz RGXCCQQWSIEIEF-PHDIDXHHSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO [NH3+]CC1CCC(O)CC1 34386310 171055165 /nfs/dbraw/zinc/05/51/65/171055165.db2.gz AODBGHUVYYWBRL-UHFFFAOYSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO c1cc(CN2CC[NH2+]CC2)co1 34517417 171055367 /nfs/dbraw/zinc/05/53/67/171055367.db2.gz GBENEUKPWXEEBO-UHFFFAOYSA-N 1 0 166.224 0.685 50 0 ACAARO CN(C)c1nc(CC[NH3+])cs1 34433918 171055611 /nfs/dbraw/zinc/05/56/11/171055611.db2.gz QKGBVDNCHIWTSM-UHFFFAOYSA-N 1 0 171.269 0.710 50 0 in-vitro ACAARO CN(C)c1nc2c(s1)C[NH2+]CC2 34433904 171055651 /nfs/dbraw/zinc/05/56/51/171055651.db2.gz IJZOLPKKYVQWTF-UHFFFAOYSA-N 1 0 183.280 0.855 50 0 ACAARO C1C[C@H]2CN(C1)CC[NH2+]2 34477124 171055839 /nfs/dbraw/zinc/05/58/39/171055839.db2.gz NYPUYWSDUIENGC-ZETCQYMHSA-N 1 0 126.203 0.054 50 0 ACAARO CCOC(=O)C[C@@H](C)[NH2+]C 34925151 171057051 /nfs/dbraw/zinc/05/70/51/171057051.db2.gz BCDWUXYUMDIPLB-ZCFIWIBFSA-N 1 0 145.202 0.548 50 0 in-vitro ACAARO O=C1CC2(CC[NH2+]CC2)C(=O)N1 34625909 171057155 /nfs/dbraw/zinc/05/71/55/171057155.db2.gz WODIALSWFWKWMM-UHFFFAOYSA-N 1 0 168.196 0.243 50 0 ACAARO OCCCOC1CC[NH2+]CC1 34974069 171057383 /nfs/dbraw/zinc/05/73/83/171057383.db2.gz XVUFXPAZEVAGIX-UHFFFAOYSA-N 1 0 159.229 0.137 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](N2CCOCC2)C1 34791705 171057500 /nfs/dbraw/zinc/05/75/00/171057500.db2.gz ITZRLXIJTDBGJS-VIFPVBQESA-N 1 0 170.256 0.071 50 0 in-vitro ACAARO C1C[NH2+]CC[C@H](N2CCOCC2)C1 35270231 171058069 /nfs/dbraw/zinc/05/80/69/171058069.db2.gz GXTOUPLOWMLMMH-SNVBAGLBSA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO C1C[NH2+]CC[C@@H](N2CCOCC2)C1 35270228 171058354 /nfs/dbraw/zinc/05/83/54/171058354.db2.gz GXTOUPLOWMLMMH-JTQLQIEISA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO CC(=O)Nc1cc(N)cc[nH+]1 35653837 171058653 /nfs/dbraw/zinc/05/86/53/171058653.db2.gz JXLUCZOWEKZFQZ-UHFFFAOYSA-N 1 0 151.169 0.622 50 0 in-vitro ACAARO CN1CCC([N@H+](C)CCO)CC1 35649779 171058828 /nfs/dbraw/zinc/05/88/28/171058828.db2.gz LYWPINHOEXHUDK-UHFFFAOYSA-N 1 0 172.272 0.005 50 0 ACAARO C[S@@](=O)c1ccc(C[NH3+])cc1 35287562 171058859 /nfs/dbraw/zinc/05/88/59/171058859.db2.gz OVDPJXUHQXPHIX-NSHDSACASA-N 1 0 169.249 0.883 50 0 in-vitro ACAARO COc1ccccc1[C@@H](N)C[NH3+] 35677087 171059237 /nfs/dbraw/zinc/05/92/37/171059237.db2.gz XUBNIEXLYZKEQM-QMMMGPOBSA-N 1 0 166.224 0.654 50 0 in-vitro ACAARO [NH3+]CC1CCC(=O)CC1 35569360 171059245 /nfs/dbraw/zinc/05/92/45/171059245.db2.gz YCONSIXZNJVTBN-UHFFFAOYSA-N 1 0 127.187 0.704 50 0 in-vitro ACAARO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCCC1 35931798 171060255 /nfs/dbraw/zinc/06/02/55/171060255.db2.gz QYYWFIOBVXLDLZ-QMMMGPOBSA-N 1 0 184.283 0.982 50 0 ACAARO CC1(C)OCC([NH3+])CO1 36419632 171060371 /nfs/dbraw/zinc/06/03/71/171060371.db2.gz ADLFBRNPQMLXTQ-UHFFFAOYSA-N 1 0 131.175 0.097 50 0 ACAARO [NH3+]C[C@]1(O)C=CCCC1 36447768 171060573 /nfs/dbraw/zinc/06/05/73/171060573.db2.gz WRAMDELWEFMLRG-ZETCQYMHSA-N 1 0 127.187 0.416 50 0 ACAARO c1c[nH]c([C@@H]2CCC[NH2+]C2)n1 36324386 171060656 /nfs/dbraw/zinc/06/06/56/171060656.db2.gz CFZKRYFTIHMWBI-SSDOTTSWSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO [NH3+]C1(c2ncon2)CCOCC1 36305034 171060877 /nfs/dbraw/zinc/06/08/77/171060877.db2.gz GIKUZGHIKMDENY-UHFFFAOYSA-N 1 0 169.184 0.034 50 0 in-vitro ACAARO CC(C)C(=O)N(C)C1CC[NH2+]CC1 36283050 171060915 /nfs/dbraw/zinc/06/09/15/171060915.db2.gz HRTAAAVPCAFZGB-UHFFFAOYSA-N 1 0 184.283 0.853 50 0 ACAARO OC1(C(F)(F)F)CC[NH2+]CC1 36379830 171060945 /nfs/dbraw/zinc/06/09/45/171060945.db2.gz AXPLSJSIKGZOMF-UHFFFAOYSA-N 1 0 169.146 0.663 50 0 in-vitro ACAARO CC(=O)Nc1cc(C)nn1CCC[NH3+] 36379895 171061039 /nfs/dbraw/zinc/06/10/39/171061039.db2.gz JWZBFDXTQFBTPB-UHFFFAOYSA-N 1 0 196.254 0.499 50 0 ACAARO [NH3+]C1(c2ncon2)CCC1 36762107 171061479 /nfs/dbraw/zinc/06/14/79/171061479.db2.gz JELQPVSROGURLI-UHFFFAOYSA-N 1 0 139.158 0.408 50 0 ACAARO [NH3+]C1(c2ncon2)CCCC1 36761945 171061545 /nfs/dbraw/zinc/06/15/45/171061545.db2.gz SPGBVLNKECJTKQ-UHFFFAOYSA-N 1 0 153.185 0.798 50 0 ACAARO C1COC2(C1)CC[NH2+]CC2 36533247 171061605 /nfs/dbraw/zinc/06/16/05/171061605.db2.gz KVYOWXUQJLOCIA-UHFFFAOYSA-N 1 0 141.214 0.919 50 0 in-vitro ACAARO Cc1ccccc1[C@@H]([NH3+])CO 36949475 171062099 /nfs/dbraw/zinc/06/20/99/171062099.db2.gz WBOFHSAPFDGCGW-VIFPVBQESA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO CC(C)OC(=O)C1CC[NH2+]CC1 36827680 171062112 /nfs/dbraw/zinc/06/21/12/171062112.db2.gz DCYUJGGJVYIWAG-UHFFFAOYSA-N 1 0 171.240 0.938 50 0 ACAARO Cc1ccccc1[C@H]([NH3+])CO 36949474 171062193 /nfs/dbraw/zinc/06/21/93/171062193.db2.gz WBOFHSAPFDGCGW-SECBINFHSA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO Cn1nccc1C[NH2+]C1CC1 36901018 171062369 /nfs/dbraw/zinc/06/23/69/171062369.db2.gz UKMYNLANZAIDSJ-UHFFFAOYSA-N 1 0 151.213 0.672 50 0 ACAARO c1cc(C[NH2+]C2CC2)n[nH]1 36899929 171062398 /nfs/dbraw/zinc/06/23/98/171062398.db2.gz XIISZVITFKMLBM-UHFFFAOYSA-N 1 0 137.186 0.662 50 0 ACAARO CC(C)OC(=O)CCC[NH3+] 36827682 171062535 /nfs/dbraw/zinc/06/25/35/171062535.db2.gz WJFTXCSLMWOXBL-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO C[NH+]1CCC(N2CCC(=O)CC2)CC1 37267444 171063000 /nfs/dbraw/zinc/06/30/00/171063000.db2.gz ZVOXFJQPAJRFJR-UHFFFAOYSA-N 1 0 196.294 0.746 50 0 ACAARO CCCOC(=O)CC[NH3+] 37025320 171063076 /nfs/dbraw/zinc/06/30/76/171063076.db2.gz JYSNRZNGUVBJQZ-UHFFFAOYSA-N 1 0 131.175 0.288 50 0 in-vitro ACAARO [NH3+]C[C@]1(O)CCc2ccccc2C1 37460404 171064375 /nfs/dbraw/zinc/06/43/75/171064375.db2.gz LUNDWBGKMFHRAO-NSHDSACASA-N 1 0 177.247 0.865 50 0 ACAARO CN(C)C(=O)C1([NH3+])CCCC1 37479416 171064916 /nfs/dbraw/zinc/06/49/16/171064916.db2.gz NVSZYUBCASULGA-UHFFFAOYSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO [NH3+]CC1CCN(CC(F)F)CC1 37756106 171066520 /nfs/dbraw/zinc/06/65/20/171066520.db2.gz VRSDQEWRCJCHMH-UHFFFAOYSA-N 1 0 178.226 0.922 50 0 ACAARO c1cncc(CNC2CC[NH2+]CC2)c1 38040712 171067707 /nfs/dbraw/zinc/06/77/07/171067707.db2.gz ADQMAUSMBIUXJY-UHFFFAOYSA-N 1 0 191.278 0.923 50 0 ACAARO COc1ccccc1C1(C[NH3+])COC1 76635779 171067752 /nfs/dbraw/zinc/06/77/52/171067752.db2.gz PAJGBWYUHACYGK-UHFFFAOYSA-N 1 0 193.246 0.922 50 0 ACAARO Oc1cccc(CN2CC[NH2+]CC2)c1 38086597 171068544 /nfs/dbraw/zinc/06/85/44/171068544.db2.gz APDLKHAYHYJBDP-UHFFFAOYSA-N 1 0 192.262 0.797 50 0 ACAARO C1CNCC[N@H+](C2CCOCC2)C1 38087053 171068588 /nfs/dbraw/zinc/06/85/88/171068588.db2.gz PHUQGIXTOHOPQJ-UHFFFAOYSA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO CC[NH+](CC)CC(OC)OC 78676546 171068784 /nfs/dbraw/zinc/06/87/84/171068784.db2.gz XAWREZAJTBLKDR-UHFFFAOYSA-N 1 0 161.245 0.947 50 0 ACAARO c1c[nH]c(CC2CC[NH2+]CC2)n1 38076169 171068904 /nfs/dbraw/zinc/06/89/04/171068904.db2.gz LNPROGAMXALBAN-UHFFFAOYSA-N 1 0 165.240 0.952 50 0 ACAARO Oc1ccc(CN2CC[NH2+]CC2)cc1 38086673 171068910 /nfs/dbraw/zinc/06/89/10/171068910.db2.gz CNRXJITXJZQWPJ-UHFFFAOYSA-N 1 0 192.262 0.797 50 0 in-vitro ACAARO OC1([C@@H]2CCC[NH2+]2)CC1 38301389 171069054 /nfs/dbraw/zinc/06/90/54/171069054.db2.gz QVFDYFLRRDIIDX-LURJTMIESA-N 1 0 127.187 0.263 50 0 ACAARO COC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 38518588 171069295 /nfs/dbraw/zinc/06/92/95/171069295.db2.gz ZMMITUCIAZVHCG-RNFRBKRXSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[NH2+][C@H]1C 38338400 171069399 /nfs/dbraw/zinc/06/93/99/171069399.db2.gz ZORUKIWYFWDAKK-NKWVEPMBSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO [NH3+]CC1CC(F)(F)C1 38540891 171069893 /nfs/dbraw/zinc/06/98/93/171069893.db2.gz BUVXADKKXYLSTP-UHFFFAOYSA-N 1 0 121.130 0.990 50 0 in-vitro ACAARO CN1CC2(CC[NH2+]CC2)OC1=O 38523161 171070093 /nfs/dbraw/zinc/07/00/93/171070093.db2.gz JDMUQPZSWZFNMW-UHFFFAOYSA-N 1 0 170.212 0.191 50 0 in-vitro ACAARO [NH3+]CC1(O)CCSCC1 38526303 171070159 /nfs/dbraw/zinc/07/01/59/171070159.db2.gz MDACFHKAMLKPSK-UHFFFAOYSA-N 1 0 147.243 0.203 50 0 in-vitro ACAARO CN1CCCC[C@H]([NH3+])C1 38803869 171070341 /nfs/dbraw/zinc/07/03/41/171070341.db2.gz SAQGERPDKPUNKQ-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO O=S1(=O)CCCN1c1ccncc1 38974080 171070603 /nfs/dbraw/zinc/07/06/03/171070603.db2.gz IZHWNBDPBZAVPW-UHFFFAOYSA-N 1 0 198.247 0.622 50 0 ACAARO COC(=O)[C@@H]1CCc2cncn2C1 38973497 171070719 /nfs/dbraw/zinc/07/07/19/171070719.db2.gz SKHKESZMMHHOIE-SSDOTTSWSA-N 1 0 180.207 0.619 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC[C@H]([NH3+])C1 38915904 171070724 /nfs/dbraw/zinc/07/07/24/171070724.db2.gz MLVGJFMHFIQWQZ-RITPCOANSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO [NH3+]C12CC[NH+](CC1)CC2 38886827 171070760 /nfs/dbraw/zinc/07/07/60/171070760.db2.gz DBPHZCRAKOJSMX-UHFFFAOYSA-N 1 0 126.203 0.183 50 0 in-vitro ACAARO COC(=O)[C@H]1CCc2cncn2C1 38973498 171070807 /nfs/dbraw/zinc/07/08/07/171070807.db2.gz SKHKESZMMHHOIE-ZETCQYMHSA-N 1 0 180.207 0.619 50 0 in-vitro ACAARO CN1CCCC[C@@H]([NH3+])C1 38803872 171070825 /nfs/dbraw/zinc/07/08/25/171070825.db2.gz SAQGERPDKPUNKQ-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CN(C)c1cncc(N)c1 39051635 171071448 /nfs/dbraw/zinc/07/14/48/171071448.db2.gz OAEKXZSUBYTKEP-UHFFFAOYSA-N 1 0 137.186 0.730 50 0 in-vitro ACAARO CC(=O)OCCC1CC[NH2+]CC1 39017565 171071523 /nfs/dbraw/zinc/07/15/23/171071523.db2.gz UYTPDZISLVQNTP-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC[C@@H]([NH3+])C1 39083140 171073414 /nfs/dbraw/zinc/07/34/14/171073414.db2.gz MLVGJFMHFIQWQZ-PHDIDXHHSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)[C@H]1CC[NH2+][C@H]1C 39087455 171073612 /nfs/dbraw/zinc/07/36/12/171073612.db2.gz XQMDYEQHVQBQMQ-WDSKDSINSA-N 1 0 143.186 0.157 50 0 ACAARO CN(C)C(=O)CCCC[NH3+] 39079210 171073638 /nfs/dbraw/zinc/07/36/38/171073638.db2.gz INWBPWZKQZOGNU-UHFFFAOYSA-N 1 0 144.218 0.204 50 0 ACAARO CC(C)OC(=O)C(C)(C)[NH3+] 39072820 171073755 /nfs/dbraw/zinc/07/37/55/171073755.db2.gz RQXRKAOQBXZNRN-UHFFFAOYSA-N 1 0 145.202 0.675 50 0 ACAARO COC(=O)[C@H]1CC[C@@H]([NH3+])C1 39083142 171073816 /nfs/dbraw/zinc/07/38/16/171073816.db2.gz MLVGJFMHFIQWQZ-NTSWFWBYSA-N 1 0 143.186 0.287 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[NH2+]CC1 39088012 171074183 /nfs/dbraw/zinc/07/41/83/171074183.db2.gz BFCUJOACQSXTBK-SSDOTTSWSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)[C@H]1CCC[NH2+]CC1 39088013 171074377 /nfs/dbraw/zinc/07/43/77/171074377.db2.gz BFCUJOACQSXTBK-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO COC(=O)[C@@H]1CCC[C@H]([NH3+])C1 39088050 171074383 /nfs/dbraw/zinc/07/43/83/171074383.db2.gz ZMMITUCIAZVHCG-RQJHMYQMSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@H]1CCC[NH2+][C@H]1C 39088031 171074400 /nfs/dbraw/zinc/07/44/00/171074400.db2.gz ZORUKIWYFWDAKK-BQBZGAKWSA-N 1 0 157.213 0.548 50 0 in-vitro ACAARO [NH3+]C12CCC(O)(CC1)CC2 39118737 171076441 /nfs/dbraw/zinc/07/64/41/171076441.db2.gz XOWRJAXBYGZUQY-UHFFFAOYSA-N 1 0 141.214 0.783 50 0 ACAARO [NH3+]CC1(c2ccccc2)COC1 39136066 171076922 /nfs/dbraw/zinc/07/69/22/171076922.db2.gz TVBXQZRCYHWTSD-UHFFFAOYSA-N 1 0 163.220 0.913 50 0 in-vitro ACAARO C[C@H]1CC(O)C[C@H](C)[NH+]1C 39192790 171077112 /nfs/dbraw/zinc/07/71/12/171077112.db2.gz RNYCGIOXRWNPLF-BQBZGAKWSA-N 1 0 143.230 0.850 50 0 ACAARO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C 39192792 171077147 /nfs/dbraw/zinc/07/71/47/171077147.db2.gz RNYCGIOXRWNPLF-RNFRBKRXSA-N 1 0 143.230 0.850 50 0 ACAARO [NH3+]C1CN(C(=O)c2ccccc2)C1 39139461 171077150 /nfs/dbraw/zinc/07/71/50/171077150.db2.gz UMVRSUKQZOUCCV-UHFFFAOYSA-N 1 0 176.219 0.470 50 0 ACAARO CC(C)(C)[C@@H]([NH3+])CN 39211935 171077557 /nfs/dbraw/zinc/07/75/57/171077557.db2.gz KKMKAWJAGGJWTJ-YFKPBYRVSA-N 1 0 116.208 0.319 50 0 in-vitro ACAARO C1C[NH2+]CC2(C1)OCCO2 39220129 171077747 /nfs/dbraw/zinc/07/77/47/171077747.db2.gz FZWPOVPBHOSLFN-UHFFFAOYSA-N 1 0 143.186 0.113 50 0 ACAARO COC(=O)[C@H]1CCC[C@H]([NH3+])C1 39424830 171079032 /nfs/dbraw/zinc/07/90/32/171079032.db2.gz ZMMITUCIAZVHCG-BQBZGAKWSA-N 1 0 157.213 0.677 50 0 ACAARO CC1(C)C[C@H]1[NH3+] 39947118 171079323 /nfs/dbraw/zinc/07/93/23/171079323.db2.gz IVYCMLREPMLLEO-SCSAIBSYSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO NC1=[NH+][C@H]2CC[C@H]([NH3+])C[C@H]2S1 39937016 171079364 /nfs/dbraw/zinc/07/93/64/171079364.db2.gz OACNYGDBHTZQDS-HCWXCVPCSA-N 1 0 171.269 0.296 50 0 ACAARO NC1=[NH+][C@@H]2CC[C@H]([NH3+])C[C@H]2S1 39937015 171079472 /nfs/dbraw/zinc/07/94/72/171079472.db2.gz OACNYGDBHTZQDS-KVQBGUIXSA-N 1 0 171.269 0.296 50 0 ACAARO NC1=[NH+][C@H]2CC[C@H]([NH3+])C[C@@H]2S1 39937018 171079497 /nfs/dbraw/zinc/07/94/97/171079497.db2.gz OACNYGDBHTZQDS-ZLUOBGJFSA-N 1 0 171.269 0.296 50 0 ACAARO [NH3+]CC(=O)Cc1ccc(F)cc1 39474808 171079710 /nfs/dbraw/zinc/07/97/10/171079710.db2.gz RTZAPTCNAINKNG-UHFFFAOYSA-N 1 0 167.183 0.896 50 0 in-vitro ACAARO CC1(C)C[C@@H]1[NH3+] 39947117 171079735 /nfs/dbraw/zinc/07/97/35/171079735.db2.gz IVYCMLREPMLLEO-BYPYZUCNSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO [NH3+]CC(=O)Cc1ccccc1 39474807 171079878 /nfs/dbraw/zinc/07/98/78/171079878.db2.gz GIGLHOJHLDZPTD-UHFFFAOYSA-N 1 0 149.193 0.757 50 0 ACAARO NC1=[NH+][C@@H]2CC[C@H]([NH3+])C[C@@H]2S1 39937017 171079937 /nfs/dbraw/zinc/07/99/37/171079937.db2.gz OACNYGDBHTZQDS-JKUQZMGJSA-N 1 0 171.269 0.296 50 0 ACAARO O=C1N=NC(C2CC[NH2+]CC2)O1 40380563 171080049 /nfs/dbraw/zinc/08/00/49/171080049.db2.gz QMIAMKPZGHFEJM-UHFFFAOYSA-N 1 0 169.184 0.242 50 0 in-vitro ACAARO c1cnc(O[C@@H]2CCC[NH2+]C2)cn1 40434802 171080097 /nfs/dbraw/zinc/08/00/97/171080097.db2.gz FSYMLPKETODCMJ-MRVPVSSYSA-N 1 0 179.223 0.607 50 0 ACAARO c1cnc(O[C@H]2CCC[NH2+]C2)cn1 40434803 171080224 /nfs/dbraw/zinc/08/02/24/171080224.db2.gz FSYMLPKETODCMJ-QMMMGPOBSA-N 1 0 179.223 0.607 50 0 ACAARO c1cnc(OC[C@H]2CCC[NH2+]C2)nc1 40434338 171080361 /nfs/dbraw/zinc/08/03/61/171080361.db2.gz RMXRCDWPOLCHAO-VIFPVBQESA-N 1 0 193.250 0.855 50 0 ACAARO c1cnc(N[C@@H]2CCC[NH2+]C2)cn1 40434800 171080473 /nfs/dbraw/zinc/08/04/73/171080473.db2.gz BRHCEHBEWSIJEB-MRVPVSSYSA-N 1 0 178.239 0.641 50 0 ACAARO c1cnc(N[C@@H]2CCC[NH2+]C2)nc1 40434330 171080530 /nfs/dbraw/zinc/08/05/30/171080530.db2.gz JWIUPXRHNJQCPF-MRVPVSSYSA-N 1 0 178.239 0.641 50 0 ACAARO c1cnc(OC[C@@H]2CCC[NH2+]C2)nc1 40434336 171080625 /nfs/dbraw/zinc/08/06/25/171080625.db2.gz RMXRCDWPOLCHAO-SECBINFHSA-N 1 0 193.250 0.855 50 0 ACAARO c1cnc(N[C@H]2CCC[NH2+]C2)cn1 40434801 171080647 /nfs/dbraw/zinc/08/06/47/171080647.db2.gz BRHCEHBEWSIJEB-QMMMGPOBSA-N 1 0 178.239 0.641 50 0 ACAARO c1cnc(O[C@@H]2CCC[NH2+]C2)nc1 40434339 171080649 /nfs/dbraw/zinc/08/06/49/171080649.db2.gz IGDWPVLUYANAMX-MRVPVSSYSA-N 1 0 179.223 0.607 50 0 ACAARO c1cnc(N[C@H]2CCC[NH2+]C2)nc1 40434331 171080674 /nfs/dbraw/zinc/08/06/74/171080674.db2.gz JWIUPXRHNJQCPF-QMMMGPOBSA-N 1 0 178.239 0.641 50 0 ACAARO c1cnc(O[C@H]2CCC[NH2+]C2)nc1 40434341 171080747 /nfs/dbraw/zinc/08/07/47/171080747.db2.gz IGDWPVLUYANAMX-QMMMGPOBSA-N 1 0 179.223 0.607 50 0 ACAARO CN1CCCC2(C[NH2+]C2)C1 40449927 171081115 /nfs/dbraw/zinc/08/11/15/171081115.db2.gz RCFBNCONEUWPDT-UHFFFAOYSA-N 1 0 140.230 0.302 50 0 ACAARO CCCOC(=O)C(C)(C)[NH3+] 40911594 171081524 /nfs/dbraw/zinc/08/15/24/171081524.db2.gz OZRVVWIMOBNLND-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 ACAARO CO[C@@H](C)CC[NH3+] 41042689 171082473 /nfs/dbraw/zinc/08/24/73/171082473.db2.gz IQKTYAYBZRHHJI-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 ACAARO CC1(C)COCCN1CC[NH3+] 42461239 171085556 /nfs/dbraw/zinc/08/55/56/171085556.db2.gz UMUSYFTZUULERM-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO [NH3+]C1CC[NH+](CCCC(=O)[O-])CC1 42429938 171085606 /nfs/dbraw/zinc/08/56/06/171085606.db2.gz DDXKCIQHQCEUAR-UHFFFAOYSA-N 1 0 186.255 0.274 50 0 in-vitro ACAARO [NH3+]CC1=CCCOC1 42689571 171086247 /nfs/dbraw/zinc/08/62/47/171086247.db2.gz SBUCEWQGSWXYKO-UHFFFAOYSA-N 1 0 113.160 0.292 50 0 in-vitro ACAARO CC(=O)OCC[C@@H]1CCC[NH2+]C1 42768255 171086286 /nfs/dbraw/zinc/08/62/86/171086286.db2.gz YNMVOCKBZOJJRP-VIFPVBQESA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO O=C(OC1C[NH2+]C1)C1CCC1 42769253 171086300 /nfs/dbraw/zinc/08/63/00/171086300.db2.gz VIKHMUWNQWOUFE-UHFFFAOYSA-N 1 0 155.197 0.302 50 0 ACAARO O=C(OC1C[NH2+]C1)c1ccccc1 42769414 171086306 /nfs/dbraw/zinc/08/63/06/171086306.db2.gz FEMYWVLACJWVNI-UHFFFAOYSA-N 1 0 177.203 0.815 50 0 ACAARO CC(=O)OCC[C@H]1CCC[NH2+]C1 42768259 171086314 /nfs/dbraw/zinc/08/63/14/171086314.db2.gz YNMVOCKBZOJJRP-SECBINFHSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO O=C(OC[C@@H]1CCC[NH2+]C1)C1CC1 42769183 171086346 /nfs/dbraw/zinc/08/63/46/171086346.db2.gz LVESGAFALXIVIV-MRVPVSSYSA-N 1 0 183.251 0.939 50 0 ACAARO O=C(OC1CC[NH2+]CC1)C1CC1 42769174 171086351 /nfs/dbraw/zinc/08/63/51/171086351.db2.gz RRRMONUJWKCVHZ-UHFFFAOYSA-N 1 0 169.224 0.692 50 0 ACAARO O=C(OC[C@@H]1CC[NH2+]C1)C1CCC1 42769298 171086358 /nfs/dbraw/zinc/08/63/58/171086358.db2.gz FBXCNUQRPAUDJC-MRVPVSSYSA-N 1 0 183.251 0.939 50 0 ACAARO C[NH+]1CCC(F)(CO)CC1 42689496 171086408 /nfs/dbraw/zinc/08/64/08/171086408.db2.gz ZACQKYSISKMVCF-UHFFFAOYSA-N 1 0 147.193 0.413 50 0 in-vitro ACAARO [NH3+]C1(c2cncnc2)CC1 82410906 171086415 /nfs/dbraw/zinc/08/64/15/171086415.db2.gz SESTUDCSHJWAMX-UHFFFAOYSA-N 1 0 135.170 0.424 50 0 ACAARO O=C(OC1C[NH2+]C1)c1ccco1 42768428 171086606 /nfs/dbraw/zinc/08/66/06/171086606.db2.gz QBTRJFZEMREZSV-UHFFFAOYSA-N 1 0 167.164 0.408 50 0 ACAARO O=C(OC1C[NH2+]C1)c1ccncc1 42768291 171086626 /nfs/dbraw/zinc/08/66/26/171086626.db2.gz NIIFNRIHAPJAAH-UHFFFAOYSA-N 1 0 178.191 0.210 50 0 ACAARO O=C(OC1C[NH2+]C1)c1cccnc1 42769474 171086738 /nfs/dbraw/zinc/08/67/38/171086738.db2.gz IWVNWZMZZFXPEI-UHFFFAOYSA-N 1 0 178.191 0.210 50 0 ACAARO O=C(OC[C@@H]1CC[NH2+]C1)C1CC1 42769214 171086865 /nfs/dbraw/zinc/08/68/65/171086865.db2.gz ASBCOKOKNJIWIP-SSDOTTSWSA-N 1 0 169.224 0.549 50 0 ACAARO CC(C)O[C@@H]1CC[NH2+]C1 42783047 171086867 /nfs/dbraw/zinc/08/68/67/171086867.db2.gz IYKVTPKGWBIZFR-SSDOTTSWSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO O=C(OCC1CC[NH2+]CC1)C1CC1 42769188 171086885 /nfs/dbraw/zinc/08/68/85/171086885.db2.gz VQIYUTZDCDBDRM-UHFFFAOYSA-N 1 0 183.251 0.939 50 0 ACAARO O=C(OC1C[NH2+]C1)C1CCCC1 42769338 171086904 /nfs/dbraw/zinc/08/69/04/171086904.db2.gz VEAXGKRNRSXBSC-UHFFFAOYSA-N 1 0 169.224 0.692 50 0 ACAARO c1cncc(CN[C@@H]2CCC[NH2+]C2)c1 43324836 171087127 /nfs/dbraw/zinc/08/71/27/171087127.db2.gz JPQNGSMDQKEWBS-LLVKDONJSA-N 1 0 191.278 0.923 50 0 ACAARO c1cncc(CN[C@H]2CCC[NH2+]C2)c1 43324838 171087355 /nfs/dbraw/zinc/08/73/55/171087355.db2.gz JPQNGSMDQKEWBS-NSHDSACASA-N 1 0 191.278 0.923 50 0 ACAARO C1C[NH2+]C[C@@H](NC2CC2)C1 43323581 171087540 /nfs/dbraw/zinc/08/75/40/171087540.db2.gz ZMIGJHHQCUHNJJ-QMMMGPOBSA-N 1 0 140.230 0.490 50 0 ACAARO C[NH+](C)CCOc1cc(N)ccn1 43569627 171088412 /nfs/dbraw/zinc/08/84/12/171088412.db2.gz VINYJNGGVYOFMO-UHFFFAOYSA-N 1 0 181.239 0.604 50 0 in-vitro ACAARO C1C[NH2+]C2(C1)CC[NH2+]CC2 44068825 171088623 /nfs/dbraw/zinc/08/86/23/171088623.db2.gz BFAHRLVWYDSXIA-UHFFFAOYSA-N 1 0 140.230 0.492 50 0 in-vitro ACAARO CC(C)(C)[C@@H]([NH3+])CCO 44232436 171089414 /nfs/dbraw/zinc/08/94/14/171089414.db2.gz JMAOWDJEWXBRGR-LURJTMIESA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)OC(=O)N1CCC([NH3+])CC1 44238562 171089766 /nfs/dbraw/zinc/08/97/66/171089766.db2.gz YZYPFMHFXAXPCF-UHFFFAOYSA-N 1 0 186.255 0.955 50 0 in-vitro ACAARO NCC(F)(F)Cl 44249411 171089799 /nfs/dbraw/zinc/08/97/99/171089799.db2.gz SAOIWALCPKHWQI-UHFFFAOYSA-N 1 0 115.510 0.777 50 0 ACAARO [NH3+]CC1CCN(C(=O)C2CCC2)CC1 44512657 171090608 /nfs/dbraw/zinc/09/06/08/171090608.db2.gz BQLJGMOPOVTPLD-UHFFFAOYSA-N 1 0 196.294 0.984 50 0 ACAARO C/C=C/CC[NH3+] 44396512 171090631 /nfs/dbraw/zinc/09/06/31/171090631.db2.gz VWJYDONMXDIHNY-NSCUHMNNSA-N 1 0 85.150 0.911 50 0 in-vitro ACAARO CN(C)c1ncc(C[NH3+])cn1 44398266 171090728 /nfs/dbraw/zinc/09/07/28/171090728.db2.gz UNESATFQYMYWAM-UHFFFAOYSA-N 1 0 152.201 0.001 50 0 in-vitro ACAARO CN(C)C(=O)C1(C[NH3+])CCCC1 44761737 171091419 /nfs/dbraw/zinc/09/14/19/171091419.db2.gz VOTLEMUHQYHGQM-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 in-vitro ACAARO C1C[NH2+]CC2(C1)COC2 45028305 171091695 /nfs/dbraw/zinc/09/16/95/171091695.db2.gz SDESQEIYRGXXPA-UHFFFAOYSA-N 1 0 127.187 0.386 50 0 in-vitro ACAARO [NH3+]CC1(F)CCOCC1 45328641 171092405 /nfs/dbraw/zinc/09/24/05/171092405.db2.gz OFAYDVVDQZEUIY-UHFFFAOYSA-N 1 0 133.166 0.464 50 0 in-vitro ACAARO c1[nH]nc2c1CC[NH2+]CC2 45166779 171092473 /nfs/dbraw/zinc/09/24/73/171092473.db2.gz ZKSLBQITPNATCT-UHFFFAOYSA-N 1 0 137.186 0.098 50 0 ACAARO C1C[NH2+]C[C@@H](C2OCCO2)C1 47844233 171094115 /nfs/dbraw/zinc/09/41/15/171094115.db2.gz QAFXKOPNBQVMIE-ZETCQYMHSA-N 1 0 157.213 0.359 50 0 in-vitro ACAARO CN(C)c1ncc2c(n1)CCC[C@@H]2[NH3+] 50094098 171095502 /nfs/dbraw/zinc/09/55/02/171095502.db2.gz OTHNZVJFKARKDY-QMMMGPOBSA-N 1 0 192.266 0.879 50 0 ACAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH3+] 50094099 171095955 /nfs/dbraw/zinc/09/59/55/171095955.db2.gz OTHNZVJFKARKDY-MRVPVSSYSA-N 1 0 192.266 0.879 50 0 ACAARO c1cnc(N[C@@H]2CC[NH2+]C2)nc1 52093914 171097557 /nfs/dbraw/zinc/09/75/57/171097557.db2.gz YDGWWNRXHXZWPS-SSDOTTSWSA-N 1 0 164.212 0.250 50 0 in-vitro ACAARO c1cnc(N[C@H]2CC[NH2+]C2)cn1 52093911 171097752 /nfs/dbraw/zinc/09/77/52/171097752.db2.gz DUBLJYPGNJHYPP-ZETCQYMHSA-N 1 0 164.212 0.250 50 0 ACAARO c1cnc(N[C@@H]2CC[NH2+]C2)cn1 52093910 171097768 /nfs/dbraw/zinc/09/77/68/171097768.db2.gz DUBLJYPGNJHYPP-SSDOTTSWSA-N 1 0 164.212 0.250 50 0 ACAARO O=S1(=O)CCC2(CC[NH2+]C2)CC1 51955253 171098109 /nfs/dbraw/zinc/09/81/09/171098109.db2.gz IJLJEBISGITNGH-UHFFFAOYSA-N 1 0 189.280 0.175 50 0 ACAARO F[C@@H]1C[NH2+]C[C@H]1F 51951731 171098165 /nfs/dbraw/zinc/09/81/65/171098165.db2.gz PHFTVEADDMICLE-QWWZWVQMSA-N 1 0 107.103 0.266 50 0 in-vitro ACAARO [NH3+]C1(c2cnccn2)CC1 54404889 171099038 /nfs/dbraw/zinc/09/90/38/171099038.db2.gz KMEKESGKPAVRFO-UHFFFAOYSA-N 1 0 135.170 0.424 50 0 in-vitro ACAARO [NH3+]C1(c2ncccn2)CC1 54404886 171099291 /nfs/dbraw/zinc/09/92/91/171099291.db2.gz OBSRDFSSNGPUIY-UHFFFAOYSA-N 1 0 135.170 0.424 50 0 in-vitro ACAARO COc1ccc(OC)c(C(=O)CN)c1 54967308 171099363 /nfs/dbraw/zinc/09/93/63/171099363.db2.gz IQFIJLKOVJRFBW-UHFFFAOYSA-N 1 0 195.218 0.845 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](C[NH+]2CCCC2)OC1 54956994 171099429 /nfs/dbraw/zinc/09/94/29/171099429.db2.gz NFHDKDQZUBECJA-JTQLQIEISA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO CCSC1C[NH2+]C1 54931779 171099559 /nfs/dbraw/zinc/09/95/59/171099559.db2.gz PUEVLAZXPSMNHE-UHFFFAOYSA-N 1 0 117.217 0.711 50 0 ACAARO O[C@@H](C1CC[NH2+]CC1)C(F)(F)F 57219140 171099897 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/nfs/dbraw/zinc/12/33/40/171123340.db2.gz KFOFUZRBPHPFIM-UHFFFAOYSA-N 1 0 135.170 0.424 50 0 in-vitro ACAARO [NH3+]CC1(N2CCOCC2)CCC1 82633573 171124287 /nfs/dbraw/zinc/12/42/87/171124287.db2.gz AHSKOHBWGVBSDE-UHFFFAOYSA-N 1 0 170.256 0.200 50 0 ACAARO [NH3+]C1CCN(CCF)CC1 82707730 171124545 /nfs/dbraw/zinc/12/45/45/171124545.db2.gz ZIINOCJZDVAKLR-UHFFFAOYSA-N 1 0 146.209 0.379 50 0 in-vitro ACAARO C[C@H]1CCOCC[NH2+]1 82835625 171124601 /nfs/dbraw/zinc/12/46/01/171124601.db2.gz NTMSMLWLSVNRKL-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[NH+]1CCC(N)(C(F)(F)F)CC1 82670933 171124683 /nfs/dbraw/zinc/12/46/83/171124683.db2.gz KHTYFXZCQFKUQR-UHFFFAOYSA-N 1 0 182.189 0.972 50 0 ACAARO C[C@@H]1CCOCC[NH2+]1 82835623 171124781 /nfs/dbraw/zinc/12/47/81/171124781.db2.gz NTMSMLWLSVNRKL-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO [NH3+]C1(c2ncc[nH]2)CC1 82835754 171125027 /nfs/dbraw/zinc/12/50/27/171125027.db2.gz CTVUAEFLSLBYRO-UHFFFAOYSA-N 1 0 123.159 0.358 50 0 ACAARO 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171131227 /nfs/dbraw/zinc/13/12/27/171131227.db2.gz URARMVMNNPKPDI-UHFFFAOYSA-N 1 0 182.267 0.751 50 0 ACAARO CN(C)c1c[nH+]ccc1N 84426108 171131396 /nfs/dbraw/zinc/13/13/96/171131396.db2.gz JQLUSIARPSHVSH-UHFFFAOYSA-N 1 0 137.186 0.730 50 0 in-vitro ACAARO CC[C@@H]1CC[NH2+]1 84179010 171131566 /nfs/dbraw/zinc/13/15/66/171131566.db2.gz NZZNMDNKJVUJAL-RXMQYKEDSA-N 1 0 85.150 0.758 50 0 ACAARO OC1(Cc2cccnc2)CC[NH2+]CC1 84352828 171131706 /nfs/dbraw/zinc/13/17/06/171131706.db2.gz XXFNNXIQLNFXQZ-UHFFFAOYSA-N 1 0 192.262 0.739 50 0 ACAARO C1C[NH2+]C[C@@]2(C1)CCO2 85221609 171131803 /nfs/dbraw/zinc/13/18/03/171131803.db2.gz ORIDQWJOJCVWHY-SSDOTTSWSA-N 1 0 127.187 0.529 50 0 ACAARO [NH3+]C1(c2cccnc2)COC1 84328156 171131927 /nfs/dbraw/zinc/13/19/27/171131927.db2.gz FPXYWDRZIBYOEK-UHFFFAOYSA-N 1 0 150.181 0.266 50 0 ACAARO [NH3+]C[C@]1(O)CCc2cc(F)ccc21 107413013 171132205 /nfs/dbraw/zinc/13/22/05/171132205.db2.gz XDGGHCFIHUIYGR-SNVBAGLBSA-N 1 0 181.210 0.918 50 0 ACAARO COC(=O)[C@@H]1CC[NH2+][C@@H]1C 86269812 171132276 /nfs/dbraw/zinc/13/22/76/171132276.db2.gz XQMDYEQHVQBQMQ-PHDIDXHHSA-N 1 0 143.186 0.157 50 0 ACAARO CN(C)c1cnn(C2CC[NH2+]CC2)c1 86679294 171132421 /nfs/dbraw/zinc/13/24/21/171132421.db2.gz SWLJPOMJKPKIQW-UHFFFAOYSA-N 1 0 194.282 0.874 50 0 ACAARO COC(=O)[C@H]1CC[NH2+][C@@H]1C 86269814 171132578 /nfs/dbraw/zinc/13/25/78/171132578.db2.gz XQMDYEQHVQBQMQ-RITPCOANSA-N 1 0 143.186 0.157 50 0 ACAARO COC(=O)[C@@H]1CC[NH2+][C@H]1C 86269813 171132594 /nfs/dbraw/zinc/13/25/94/171132594.db2.gz XQMDYEQHVQBQMQ-NTSWFWBYSA-N 1 0 143.186 0.157 50 0 ACAARO C1C[NH2+]CSC1 88260496 171132888 /nfs/dbraw/zinc/13/28/88/171132888.db2.gz HOQOADCYROWGQA-UHFFFAOYSA-N 1 0 103.190 0.670 50 0 ACAARO OC1(C[NH2+]C2CC2)CCC1 87606843 171133055 /nfs/dbraw/zinc/13/30/55/171133055.db2.gz NMPDCKHQRGPIDM-UHFFFAOYSA-N 1 0 141.214 0.653 50 0 ACAARO [NH3+]C1(c2nnc[nH]2)CCC1 88049518 171133204 /nfs/dbraw/zinc/13/32/04/171133204.db2.gz BRNZLQVEWVJDIY-UHFFFAOYSA-N 1 0 138.174 0.143 50 0 in-vitro ACAARO OC[C@H]1COC2(CC[NH2+]CC2)C1 91305627 171134357 /nfs/dbraw/zinc/13/43/57/171134357.db2.gz AQNXRSGCZNEXPE-QMMMGPOBSA-N 1 0 171.240 0.137 50 0 ACAARO [NH3+]C1CCC2(CCC(=O)N2)CC1 91305680 171134480 /nfs/dbraw/zinc/13/44/80/171134480.db2.gz ZSUJRZJQVMYCTE-UHFFFAOYSA-N 1 0 168.240 0.537 50 0 in-vitro ACAARO [NH3+]Cc1ccc2ncnn2c1 91690710 171134614 /nfs/dbraw/zinc/13/46/14/171134614.db2.gz BWYNVMZVYPDEIC-UHFFFAOYSA-N 1 0 148.169 0.188 50 0 in-vitro ACAARO OC[C@@H]1COC2(CC[NH2+]CC2)C1 91305623 171134765 /nfs/dbraw/zinc/13/47/65/171134765.db2.gz AQNXRSGCZNEXPE-MRVPVSSYSA-N 1 0 171.240 0.137 50 0 ACAARO C1COC2(C1)C[NH2+]C2 91302544 171134789 /nfs/dbraw/zinc/13/47/89/171134789.db2.gz NRPURYORSRHBCU-UHFFFAOYSA-N 1 0 113.160 0.139 50 0 in-vitro ACAARO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1C 91691840 171134851 /nfs/dbraw/zinc/13/48/51/171134851.db2.gz BSPJTLUXMCHYGU-NKWVEPMBSA-N 1 0 157.213 0.405 50 0 in-vitro ACAARO COc1ccccc1[C@@H]1C[NH2+]CCN1 95067847 171135053 /nfs/dbraw/zinc/13/50/53/171135053.db2.gz XYMDIQVPOIVJPF-JTQLQIEISA-N 1 0 192.262 0.929 50 0 ACAARO Oc1cccc([C@@H]2C[NH2+]CCN2)c1 95067853 171135059 /nfs/dbraw/zinc/13/50/59/171135059.db2.gz DCIVTGUMDABITM-JTQLQIEISA-N 1 0 178.235 0.626 50 0 in-vitro ACAARO Oc1cccc([C@H]2C[NH2+]CCN2)c1 95067854 171135209 /nfs/dbraw/zinc/13/52/09/171135209.db2.gz DCIVTGUMDABITM-SNVBAGLBSA-N 1 0 178.235 0.626 50 0 in-vitro ACAARO COC(=O)[C@H]1CC[C@@H]2[NH+]=CN[C@@H]2C1 95495601 171135792 /nfs/dbraw/zinc/13/57/92/171135792.db2.gz FBROKKUQGAKMFP-BIIVOSGPSA-N 1 0 182.223 0.328 50 0 ACAARO COC(=O)[C@@H]1CC[C@@H]2[NH+]=CN[C@@H]2C1 95495600 171136057 /nfs/dbraw/zinc/13/60/57/171136057.db2.gz FBROKKUQGAKMFP-GJMOJQLCSA-N 1 0 182.223 0.328 50 0 ACAARO COC(=O)[C@@H]1CC[C@H]2[NH+]=CN[C@@H]2C1 95495598 171136309 /nfs/dbraw/zinc/13/63/09/171136309.db2.gz FBROKKUQGAKMFP-BWZBUEFSSA-N 1 0 182.223 0.328 50 0 ACAARO COC(=O)[C@H]1CC[C@H]2[NH+]=CN[C@@H]2C1 95495599 171136323 /nfs/dbraw/zinc/13/63/23/171136323.db2.gz 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171136863 /nfs/dbraw/zinc/13/68/63/171136863.db2.gz CITOGGQERKZEIB-RITPCOANSA-N 1 0 161.176 0.107 50 0 ACAARO OC1(CF)CC[NH2+]CC1 95644245 171136928 /nfs/dbraw/zinc/13/69/28/171136928.db2.gz YCPQAJYOWNDWAT-UHFFFAOYSA-N 1 0 133.166 0.070 50 0 in-vitro ACAARO [NH3+]Cc1ccc2c(c1)CNC2=O 95642800 171136969 /nfs/dbraw/zinc/13/69/69/171136969.db2.gz RUFMCPVWXYVFAS-UHFFFAOYSA-N 1 0 162.192 0.389 50 0 in-vitro ACAARO C[C@H]1CC2(CC[NH2+]1)OCCO2 95644180 171136990 /nfs/dbraw/zinc/13/69/90/171136990.db2.gz LUZJZZUAMGFJKW-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO [NH3+]CC1(CO)CC(F)C1 95743116 171138382 /nfs/dbraw/zinc/13/83/82/171138382.db2.gz GELBQJQKCIWFQE-UHFFFAOYSA-N 1 0 133.166 0.056 50 0 ACAARO CN1CC(F)(F)C[C@@H]1C[NH3+] 95743140 171138445 /nfs/dbraw/zinc/13/84/45/171138445.db2.gz DCEFDJSAWWFGRW-RXMQYKEDSA-N 1 0 150.172 0.285 50 0 ACAARO CN1CC(F)(F)C[C@H]1C[NH3+] 95743520 171138473 /nfs/dbraw/zinc/13/84/73/171138473.db2.gz DCEFDJSAWWFGRW-YFKPBYRVSA-N 1 0 150.172 0.285 50 0 ACAARO 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/nfs/dbraw/zinc/18/92/74/171189274.db2.gz GEJVEGQYNKOYPG-RQJHMYQMSA-N 1 0 144.193 0.002 50 0 ACAARO CN(C)C(=O)C1CCC([NH3+])CC1 37481834 171192330 /nfs/dbraw/zinc/19/23/30/171192330.db2.gz XMXJGAOYWMVZEX-UHFFFAOYSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO COC(=O)[C@H]1CN(C2CC2)CCC1=O 49779884 171192343 /nfs/dbraw/zinc/19/23/43/171192343.db2.gz IQUYUIVHPZAXHF-QMMMGPOBSA-N 1 0 197.234 0.213 50 0 ACAARO c1cnc(N[C@H]2CC[NH2+]C2)nc1 52093915 171194477 /nfs/dbraw/zinc/19/44/77/171194477.db2.gz YDGWWNRXHXZWPS-ZETCQYMHSA-N 1 0 164.212 0.250 50 0 in-vitro ACAARO COC1=CCC[NH2+]1 100487203 171197630 /nfs/dbraw/zinc/19/76/30/171197630.db2.gz QLPXKYBQRVRKPC-UHFFFAOYSA-N 1 0 99.133 0.468 50 0 ACAARO c1ccc(CCNC2=[NH+]CCN2)nc1 96026929 171198779 /nfs/dbraw/zinc/19/87/79/171198779.db2.gz GKPHHUSJYAQDCU-UHFFFAOYSA-N 1 0 190.250 0.173 50 0 ACAARO [NH3+]C1(Cc2ccccn2)CC[NH2+]CC1 96029438 171198946 /nfs/dbraw/zinc/19/89/46/171198946.db2.gz MWIKTYFNPXWTIV-UHFFFAOYSA-N 1 0 191.278 0.705 50 0 ACAARO [NH3+]CC1(c2cnccn2)CCOCC1 96865730 171198984 /nfs/dbraw/zinc/19/89/84/171198984.db2.gz MKGYUZFFVKFXIZ-UHFFFAOYSA-N 1 0 193.250 0.484 50 0 ACAARO [NH3+]C1(Cc2cccnc2)CC[NH2+]CC1 96029439 171199242 /nfs/dbraw/zinc/19/92/42/171199242.db2.gz HBEXFZKSTOJFHI-UHFFFAOYSA-N 1 0 191.278 0.705 50 0 ACAARO NC1(c2cccnc2)CC[NH2+]CC1 98213788 171199664 /nfs/dbraw/zinc/19/96/64/171199664.db2.gz ADJLNXHHLQAJSD-UHFFFAOYSA-N 1 0 177.251 0.619 50 0 ACAARO C[C@H]1C[NH+]=C(N)S1 5534399 171204540 /nfs/dbraw/zinc/20/45/40/171204540.db2.gz IKFLLHVVKJTHAH-VKHMYHEASA-N 1 0 116.189 0.436 50 0 ACAARO O=C1CN(c2ccccc2F)N=[O+]1 4542232 171204895 /nfs/dbraw/zinc/20/48/95/171204895.db2.gz VSCOQPNPCSTWBZ-UHFFFAOYSA-O 1 0 181.146 0.796 50 0 ACAARO C[C@@H]1C[NH+]=C(N)S1 5530583 171205139 /nfs/dbraw/zinc/20/51/39/171205139.db2.gz IKFLLHVVKJTHAH-GSVOUGTGSA-N 1 0 116.189 0.436 50 0 ACAARO Cn1nccc1C(=O)C1CC[NH2+]CC1 13998973 171206521 /nfs/dbraw/zinc/20/65/21/171206521.db2.gz BAUGHBDKKARYGT-UHFFFAOYSA-N 1 0 193.250 0.602 50 0 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147.243 0.245 50 0 ACAARO CN[C@@H](C[NH3+])C(F)(F)F 219178075 344421024 /nfs/dbraw/zinc/42/10/24/344421024.db2.gz VOOQIKFCWOYENH-VKHMYHEASA-N 1 0 142.124 0.095 50 0 ACAARO CO[C@@H]1CCC[C@@H]([C@@H]([NH3+])CO)C1 226935482 344517482 /nfs/dbraw/zinc/51/74/82/344517482.db2.gz AWDCQDLJVRLGDA-HLTSFMKQSA-N 1 0 173.256 0.511 50 0 ACAARO C[C@@H]1O[C@H](C)[C@@H]([NH3+])[C@@H]1C 226745991 344511811 /nfs/dbraw/zinc/51/18/11/344511811.db2.gz KTYSMWXLTWWJAY-UCROKIRRSA-N 1 0 129.203 0.757 50 0 ACAARO C[C@]1(N2CCOCC2)CC[NH2+]C1 229794806 344615870 /nfs/dbraw/zinc/61/58/70/344615870.db2.gz YGGJRODJLMWJBQ-VIFPVBQESA-N 1 0 170.256 0.071 50 0 ACAARO C[C@@]12CC[C@@H](O1)[C@@H]1C[NH2+]C[C@H]12 230092642 344626327 /nfs/dbraw/zinc/62/63/27/344626327.db2.gz FYLPMLURDDXKQU-BGZDPUMWSA-N 1 0 153.225 0.773 50 0 ACAARO Cn1ccc(C(C)(C)C[NH3+])n1 231984721 344668691 /nfs/dbraw/zinc/66/86/91/344668691.db2.gz YEDHLDPMTDETAG-UHFFFAOYSA-N 1 0 153.229 0.656 50 0 ACAARO [NH3+]CC1([NH+]2CCCC2)CC1 236216355 344777788 /nfs/dbraw/zinc/77/77/88/344777788.db2.gz RUAMYRPWWFCRLH-UHFFFAOYSA-N 1 0 140.230 0.574 50 0 ACAARO CC(C)C(=O)NC[C@]1(C)CC[NH2+]C1 238195545 344795320 /nfs/dbraw/zinc/79/53/20/344795320.db2.gz OFJRDTGSUHJIEU-SNVBAGLBSA-N 1 0 184.283 0.758 50 0 ACAARO O=C1NCCC[C@]12CCCC[NH2+]2 238643222 344816705 /nfs/dbraw/zinc/81/67/05/344816705.db2.gz VJPCXXOYSPTDTN-SECBINFHSA-N 1 0 168.240 0.409 50 0 ACAARO O=c1ccc(CC2CC[NH2+]CC2)c[nH]1 238644388 344817060 /nfs/dbraw/zinc/81/70/60/344817060.db2.gz KUZFPXHZTNYCNP-UHFFFAOYSA-N 1 0 192.262 0.917 50 0 ACAARO CCNC(=O)[C@H]1CC[C@H](C[NH3+])CC1 250284055 344831734 /nfs/dbraw/zinc/83/17/34/344831734.db2.gz LCFRARDECUFIIJ-KYZUINATSA-N 1 0 184.283 0.888 50 0 ACAARO CO[C@H]1CC[NH2+][C@H]1C 257838673 344942618 /nfs/dbraw/zinc/94/26/18/344942618.db2.gz MYIPSYQOUBCKFD-WDSKDSINSA-N 1 0 115.176 0.383 50 0 ACAARO [NH3+]C[C@H]1CCC[C@@]2(CCOC2)O1 306408576 345268650 /nfs/dbraw/zinc/26/86/50/345268650.db2.gz NGIAWBNUAPEYNH-BDAKNGLRSA-N 1 0 171.240 0.673 50 0 ACAARO [NH3+]C[C@H]1CC[C@H](C2CC2)O1 306500443 345373893 /nfs/dbraw/zinc/37/38/93/345373893.db2.gz YCGCLTUHAOEULF-HTQZYQBOSA-N 1 0 141.214 0.903 50 0 ACAARO CO[C@H](C(N)=[NH2+])C1CC1 131026065 204020736 /nfs/dbraw/zinc/02/07/36/204020736.db2.gz ZHLUOBUQONWVAJ-YFKPBYRVSA-N 1 0 128.175 0.347 50 0 ACAARO CO[C@@H](C(N)=[NH2+])C1CC1 131026287 204020807 /nfs/dbraw/zinc/02/08/07/204020807.db2.gz ZHLUOBUQONWVAJ-RXMQYKEDSA-N 1 0 128.175 0.347 50 0 ACAARO COC(=O)c1cc(C[NH3+])n(C)c1C 307301670 345956664 /nfs/dbraw/zinc/95/66/64/345956664.db2.gz XWWRDWCLWKGQIR-UHFFFAOYSA-N 1 0 182.223 0.579 50 0 ACAARO c1cnc(O[C@@H]2CC[NH2+]C2)nc1 51868446 207353098 /nfs/dbraw/zinc/35/30/98/207353098.db2.gz QHTVYWFXDYYUAP-SSDOTTSWSA-N 1 0 165.196 0.217 50 0 ACAARO c1cnc(O[C@H]2CC[NH2+]C2)nc1 51868448 207353206 /nfs/dbraw/zinc/35/32/06/207353206.db2.gz QHTVYWFXDYYUAP-ZETCQYMHSA-N 1 0 165.196 0.217 50 0 ACAARO [NH3+]CC(O)(C1CC1)C1CC1 96577876 207354293 /nfs/dbraw/zinc/35/42/93/207354293.db2.gz FNTGZSVSOXZCJE-UHFFFAOYSA-N 1 0 141.214 0.496 50 0 in-vitro ACAARO COC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 96516154 207354303 /nfs/dbraw/zinc/35/43/03/207354303.db2.gz IASOVWPLYUVSPI-LURJTMIESA-N 1 0 195.222 0.273 50 0 ACAARO COC(=O)[C@H]1CC[C@H](C[NH3+])CC1 100008432 207354567 /nfs/dbraw/zinc/35/45/67/207354567.db2.gz NSIXHHAVJIMVTD-OCAPTIKFSA-N 1 0 171.240 0.925 50 0 ACAARO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] 390828510 346573075 /nfs/dbraw/zinc/57/30/75/346573075.db2.gz RNLQAPWBLYSJOL-LURJTMIESA-N 1 0 195.222 0.463 50 0 ACAARO C[C@@H]1[NH2+]CC[C@@H]1N1CCC(O)CC1 601012408 346918814 /nfs/dbraw/zinc/91/88/14/346918814.db2.gz FWWANGSNOPNAEA-WPRPVWTQSA-N 1 0 184.283 0.194 50 0 ACAARO COC(=O)[C@@]1(C[NH3+])C[C@@H]1C1CC1 601014761 346919264 /nfs/dbraw/zinc/91/92/64/346919264.db2.gz BPYFLUFKCCEQNW-VXNVDRBHSA-N 1 0 169.224 0.534 50 0 ACAARO COC(=O)[C@@]1(C[NH3+])C[C@H]1C1CC1 601014760 346919366 /nfs/dbraw/zinc/91/93/66/346919366.db2.gz BPYFLUFKCCEQNW-IONNQARKSA-N 1 0 169.224 0.534 50 0 ACAARO C1C[NH2+]C[C@@H](OC[C@H]2CCCO2)C1 14631612 219805188 /nfs/dbraw/zinc/80/51/88/219805188.db2.gz JUEVOHUEVOKSRJ-VHSXEESVSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO c1cc2c(o1)CC[NH2+]C2 19408305 351389611 /nfs/dbraw/zinc/38/96/11/351389611.db2.gz CNXFGNVBRLEVBD-UHFFFAOYSA-N 1 0 123.155 0.925 50 0 in-vitro ACAARO C[C@@H]1C[C@H]1C[NH3+] 19415204 351389622 /nfs/dbraw/zinc/38/96/22/351389622.db2.gz BRWRRWXQMCPPRZ-UHNVWZDZSA-N 1 0 85.150 0.601 50 0 in-vitro ACAARO OC[C@@]12CCC[C@@H]1C[NH2+]C2 36419679 351456618 /nfs/dbraw/zinc/45/66/18/351456618.db2.gz ZUGGTKAULOSNOR-SFYZADRCSA-N 1 0 141.214 0.368 50 0 ACAARO C[C@@H]1COCC(C)(C)[NH2+]1 36316809 351456622 /nfs/dbraw/zinc/45/66/22/351456622.db2.gz AGPVNWQUXQKCQJ-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 ACAARO c1c[nH]c([C@H]2CCC[NH2+]C2)n1 36324389 351456630 /nfs/dbraw/zinc/45/66/30/351456630.db2.gz CFZKRYFTIHMWBI-ZETCQYMHSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO C[C@@H]1CCCC[C@]1([NH3+])CO 38124441 351479519 /nfs/dbraw/zinc/47/95/19/351479519.db2.gz URNONLWPYLPJGZ-SFYZADRCSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@@]([NH3+])(CO)c1cccc(O)c1 38124574 351479575 /nfs/dbraw/zinc/47/95/75/351479575.db2.gz NDGQNHQZSMXHET-SECBINFHSA-N 1 0 167.208 0.558 50 0 in-vitro ACAARO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccnn1C 95431681 351670156 /nfs/dbraw/zinc/67/01/56/351670156.db2.gz DCKMTJMDQQJKPF-WPRPVWTQSA-N 1 0 195.266 0.687 50 0 ACAARO O[C@@H]1CCCC[C@@H]1[C@@H]1COCC[NH2+]1 241383421 351827115 /nfs/dbraw/zinc/82/71/15/351827115.db2.gz MVFWFHRBUWLEME-KXUCPTDWSA-N 1 0 185.267 0.526 50 0 ACAARO c1cnc(S[C@H]2CC[NH2+]C2)nc1 51784061 229143791 /nfs/dbraw/zinc/14/37/91/229143791.db2.gz VCHGIBWDBYAFQI-ZETCQYMHSA-N 1 0 181.264 0.931 50 0 ACAARO [NH3+][C@@H]1CCO[C@H]1c1cccnc1 86248997 229143961 /nfs/dbraw/zinc/14/39/61/229143961.db2.gz LYPUGHDFPYWKIG-BDAKNGLRSA-N 1 0 164.208 0.870 50 0 ACAARO c1cnc(O[C@H]2CC[NH2+]C2)cn1 51868443 229144003 /nfs/dbraw/zinc/14/40/03/229144003.db2.gz YCJYPCXJHWHZEG-ZETCQYMHSA-N 1 0 165.196 0.217 50 0 ACAARO Cn1cc([C@@H]2OCCC[C@H]2[NH3+])cn1 86250611 229144048 /nfs/dbraw/zinc/14/40/48/229144048.db2.gz ZPYPBMQEHUNVGA-BDAKNGLRSA-N 1 0 181.239 0.599 50 0 ACAARO c1cnc(O[C@@H]2CC[NH2+]C2)cn1 51868441 229144069 /nfs/dbraw/zinc/14/40/69/229144069.db2.gz YCJYPCXJHWHZEG-SSDOTTSWSA-N 1 0 165.196 0.217 50 0 ACAARO c1cnc(S[C@@H]2CC[NH2+]C2)nc1 51784059 229144187 /nfs/dbraw/zinc/14/41/87/229144187.db2.gz VCHGIBWDBYAFQI-SSDOTTSWSA-N 1 0 181.264 0.931 50 0 ACAARO [NH3+]C1CC(OC(F)F)C1 158850390 229145310 /nfs/dbraw/zinc/14/53/10/229145310.db2.gz XCETWYZHGSROBO-UHFFFAOYSA-N 1 0 137.129 0.715 50 0 ACAARO COc1ccc([C@H](C[NH3+])CO)cc1O 498041263 229146537 /nfs/dbraw/zinc/14/65/37/229146537.db2.gz HPSUXIIQUSIQOO-MRVPVSSYSA-N 1 0 197.234 0.435 50 0 ACAARO CCc1noc(COC2C[NH2+]C2)n1 62809753 229147239 /nfs/dbraw/zinc/14/72/39/229147239.db2.gz YZFZAOKEXKZKGI-UHFFFAOYSA-N 1 0 183.211 0.120 50 0 ACAARO O=C1CC[N@@H+]2CC[C@H]1C2 34179235 119098220 /nfs/dbraw/zinc/09/82/20/119098220.db2.gz SIDKXEOFEHVUSW-LURJTMIESA-N 1 0 125.171 0.281 50 0 in-vitro ACAARO O[C@@H]1CC[C@H]2CC[NH2+][C@H]21 148026636 325624554 /nfs/dbraw/zinc/62/45/54/325624554.db2.gz RVUBHWGJRCJPSK-RRKCRQDMSA-N 1 0 127.187 0.119 50 0 ACAARO C[NH+](C)[C@@H]1CCC/C=C\C(=O)NC1 43214861 325602708 /nfs/dbraw/zinc/60/27/08/325602708.db2.gz OSFRXVZCANLJKB-WILPJHFFSA-N 1 0 182.267 0.773 50 0 ACAARO COC(C[NH2+]C1CC1)OC 57340898 325603192 /nfs/dbraw/zinc/60/31/92/325603192.db2.gz VUOKSEMFKZRAOM-UHFFFAOYSA-N 1 0 145.202 0.357 50 0 ACAARO CC1(C)COC[C@H](C[NH3+])O1 66054999 325604781 /nfs/dbraw/zinc/60/47/81/325604781.db2.gz WNXXIZJLBHJTQN-LURJTMIESA-N 1 0 145.202 0.139 50 0 ACAARO O[C@@H]1C[NH2+][C@H](C2CC2)C1 69970654 325605265 /nfs/dbraw/zinc/60/52/65/325605265.db2.gz WQMQMQILRPCGGI-BQBZGAKWSA-N 1 0 127.187 0.119 50 0 in-vitro ACAARO O[C@@H]1C[NH2+][C@@H](C2CC2)C1 69970656 325605333 /nfs/dbraw/zinc/60/53/33/325605333.db2.gz WQMQMQILRPCGGI-NKWVEPMBSA-N 1 0 127.187 0.119 50 0 in-vitro ACAARO CCOC[C@H]1C[NH2+]CCO1 70621595 325605365 /nfs/dbraw/zinc/60/53/65/325605365.db2.gz VEZQVRHBUMPHHP-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO CCOC[C@@H]1C[NH2+]CCO1 70621594 325605371 /nfs/dbraw/zinc/60/53/71/325605371.db2.gz VEZQVRHBUMPHHP-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 in-vitro ACAARO C[C@H]1C[C@]1(C)[NH3+] 78725026 325606840 /nfs/dbraw/zinc/60/68/40/325606840.db2.gz FVVGXRJNWIYMNJ-WHFBIAKZSA-N 1 0 85.150 0.744 50 0 ACAARO [NH3+]C[C@H]1CCN(C(=O)C2CC=CC2)C1 82866177 325608069 /nfs/dbraw/zinc/60/80/69/325608069.db2.gz ZRSVLKGOKTVQEP-SECBINFHSA-N 1 0 194.278 0.760 50 0 ACAARO [NH3+]C[C@@H]1CCN(C(=O)C2CC=CC2)C1 82866176 325608132 /nfs/dbraw/zinc/60/81/32/325608132.db2.gz ZRSVLKGOKTVQEP-VIFPVBQESA-N 1 0 194.278 0.760 50 0 ACAARO CSCC[C@H](O)C[NH3+] 82917283 325608153 /nfs/dbraw/zinc/60/81/53/325608153.db2.gz VRKZLONDSNHQRN-YFKPBYRVSA-N 1 0 135.232 0.059 50 0 ACAARO CCNc1cc(C)[nH+]c(N)n1 84148482 325609107 /nfs/dbraw/zinc/60/91/07/325609107.db2.gz MHBOFFGOGSNRKL-UHFFFAOYSA-N 1 0 152.201 0.799 50 0 ACAARO CC1(C)C[NH2+]CCC(=O)C1 84234349 325609214 /nfs/dbraw/zinc/60/92/14/325609214.db2.gz IGJIOQMLMGKGHA-UHFFFAOYSA-N 1 0 141.214 0.965 50 0 in-vitro ACAARO CC(C)(C[NH3+])[C@]1(O)CCCOC1 85920982 325610796 /nfs/dbraw/zinc/61/07/96/325610796.db2.gz SINSWHPDTBKQCH-VIFPVBQESA-N 1 0 173.256 0.513 50 0 ACAARO CC(C)[C@H](O)C[NH+](C)C 85794249 325610898 /nfs/dbraw/zinc/61/08/98/325610898.db2.gz CGVDIJPAUMTOMB-SSDOTTSWSA-N 1 0 131.219 0.565 50 0 in-vitro ACAARO C[NH+](C)[C@@H]1CCC[C@H](O)C1 86601793 325611155 /nfs/dbraw/zinc/61/11/55/325611155.db2.gz PYYBPWSWSPMKTL-SFYZADRCSA-N 1 0 143.230 0.852 50 0 ACAARO C[NH+](C)[C@@H]1CCC[C@@H](O)C1 86601797 325611285 /nfs/dbraw/zinc/61/12/85/325611285.db2.gz PYYBPWSWSPMKTL-HTQZYQBOSA-N 1 0 143.230 0.852 50 0 ACAARO C[NH2+]CCN1CC2(CCOCC2)C1 86663469 325611309 /nfs/dbraw/zinc/61/13/09/325611309.db2.gz UNFWSMIDQOGDHG-UHFFFAOYSA-N 1 0 184.283 0.318 50 0 ACAARO Cn1nccc1[C@H](O)C1CC[NH2+]CC1 87650317 325611494 /nfs/dbraw/zinc/61/14/94/325611494.db2.gz RSTXDYWIDMAHHE-SNVBAGLBSA-N 1 0 195.266 0.453 50 0 in-vitro ACAARO COC(=O)c1ccc2c(c1)[C@H]([NH3+])CO2 95636795 325612598 /nfs/dbraw/zinc/61/25/98/325612598.db2.gz DOVGWMYKEBIZCG-MRVPVSSYSA-N 1 0 193.202 0.865 50 0 ACAARO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])CO2 95636657 325612641 /nfs/dbraw/zinc/61/26/41/325612641.db2.gz DOVGWMYKEBIZCG-QMMMGPOBSA-N 1 0 193.202 0.865 50 0 ACAARO C1CCOC2(CC1)C[NH2+]C2 104541877 325617365 /nfs/dbraw/zinc/61/73/65/325617365.db2.gz DUXDWHNBAGIIRY-UHFFFAOYSA-N 1 0 141.214 0.919 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]C[C@@H]1CO 104622035 325617731 /nfs/dbraw/zinc/61/77/31/325617731.db2.gz XKQYEHVFBWMPDC-NKWVEPMBSA-N 1 0 129.203 0.224 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC=CCC[C@@H]1O 104634144 325617757 /nfs/dbraw/zinc/61/77/57/325617757.db2.gz FVPPTIGGPXYPJA-SFYZADRCSA-N 1 0 141.214 0.805 50 0 ACAARO C[C@@H]1CC[NH2+]C[C@@H]1CO 104622030 325617759 /nfs/dbraw/zinc/61/77/59/325617759.db2.gz XKQYEHVFBWMPDC-RNFRBKRXSA-N 1 0 129.203 0.224 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC=CCC[C@H]1O 104586763 325617794 /nfs/dbraw/zinc/61/77/94/325617794.db2.gz FVPPTIGGPXYPJA-HTQZYQBOSA-N 1 0 141.214 0.805 50 0 ACAARO [NH3+][C@@H](CO)c1cccc(F)n1 104667463 325617806 /nfs/dbraw/zinc/61/78/06/325617806.db2.gz GCUADCWHTGXAPW-YFKPBYRVSA-N 1 0 156.160 0.213 50 0 ACAARO COC(=O)[C@@H]1CC[NH2+][C@H]2CCC[C@@H]21 107460479 325619943 /nfs/dbraw/zinc/61/99/43/325619943.db2.gz HLGACRQFAUCKFM-HLTSFMKQSA-N 1 0 183.251 0.938 50 0 ACAARO COC(=O)[C@@H]1CC[NH2+][C@@H]2CCC[C@@H]21 107460484 325620054 /nfs/dbraw/zinc/62/00/54/325620054.db2.gz HLGACRQFAUCKFM-IWSPIJDZSA-N 1 0 183.251 0.938 50 0 ACAARO C[C@]1(C(F)(F)F)C[NH2+]CCO1 108287710 325620516 /nfs/dbraw/zinc/62/05/16/325620516.db2.gz UCUUZMZEDAAOPY-RXMQYKEDSA-N 1 0 169.146 0.927 50 0 in-vitro ACAARO C[C@@]1(C(F)(F)F)C[NH2+]CCO1 108287714 325620531 /nfs/dbraw/zinc/62/05/31/325620531.db2.gz UCUUZMZEDAAOPY-YFKPBYRVSA-N 1 0 169.146 0.927 50 0 in-vitro ACAARO C[NH+]1CCC2(CC1)C[C@@H](CO)CO2 110914930 325620745 /nfs/dbraw/zinc/62/07/45/325620745.db2.gz MBPRGJJQXIDPSL-VIFPVBQESA-N 1 0 185.267 0.480 50 0 in-vitro ACAARO C[NH+]1CCC2(CC1)C[C@H](CO)CO2 110914925 325620814 /nfs/dbraw/zinc/62/08/14/325620814.db2.gz MBPRGJJQXIDPSL-SECBINFHSA-N 1 0 185.267 0.480 50 0 in-vitro ACAARO O=c1[nH]c(C2CCC2)nc2c1C[NH2+]C2 132271623 325622754 /nfs/dbraw/zinc/62/27/54/325622754.db2.gz OEHJFNIGMVZRKE-UHFFFAOYSA-N 1 0 191.234 0.641 50 0 ACAARO CN1Cc2ccccc2[C@H]([NH3+])C1=O 138918145 325623547 /nfs/dbraw/zinc/62/35/47/325623547.db2.gz YATNLYZMTPNWHI-VIFPVBQESA-N 1 0 176.219 0.658 50 0 ACAARO C[NH2+]Cc1c[nH]c(C)c(OC)c1=O 137048619 325623554 /nfs/dbraw/zinc/62/35/54/325623554.db2.gz SMLJGBJJUOOBCT-UHFFFAOYSA-N 1 0 182.223 0.411 50 0 ACAARO NC(=[NH2+])c1cncc(F)c1 143075321 325624035 /nfs/dbraw/zinc/62/40/35/325624035.db2.gz BTLMVSXTXYJTNE-UHFFFAOYSA-N 1 0 139.133 0.505 50 0 in-vitro ACAARO CN(C)Nc1ccc(C(N)=O)c[nH+]1 148232985 325624548 /nfs/dbraw/zinc/62/45/48/325624548.db2.gz JDSIKUBQKCLAJK-UHFFFAOYSA-N 1 0 180.211 0.069 50 0 ACAARO CC1(C)COC(=O)N1C1CC[NH2+]CC1 149193966 325624833 /nfs/dbraw/zinc/62/48/33/325624833.db2.gz ACEFAAYVGLZSAY-UHFFFAOYSA-N 1 0 198.266 0.969 50 0 ACAARO CC1(N2CCC(=O)CC2)CC[NH2+]CC1 148970349 325624995 /nfs/dbraw/zinc/62/49/95/325624995.db2.gz IJPBSOSUVKVTST-UHFFFAOYSA-N 1 0 196.294 0.793 50 0 ACAARO COc1ccc([C@@H]2OCC[C@H]2[NH3+])cn1 166914075 325625787 /nfs/dbraw/zinc/62/57/87/325625787.db2.gz IMGBKSBUHUSTBO-SCZZXKLOSA-N 1 0 194.234 0.879 50 0 ACAARO CCOC(=O)[C@H]1C[NH2+]CC12CC2 233688556 325631090 /nfs/dbraw/zinc/63/10/90/325631090.db2.gz IJRSWGHKSKSJGN-SSDOTTSWSA-N 1 0 169.224 0.549 50 0 ACAARO CCOC(=O)[C@@H]1C[NH2+]CC12CC2 233696258 325631450 /nfs/dbraw/zinc/63/14/50/325631450.db2.gz IJRSWGHKSKSJGN-ZETCQYMHSA-N 1 0 169.224 0.549 50 0 ACAARO [NH3+][C@H]1COC2(CCC2)C1 238568877 325632384 /nfs/dbraw/zinc/63/23/84/325632384.db2.gz FOBOXLVXXYQTAK-ZCFIWIBFSA-N 1 0 127.187 0.657 50 0 ACAARO Cc1cc(CC[C@]2(O)CC[NH2+]C2)on1 238523806 325632609 /nfs/dbraw/zinc/63/26/09/325632609.db2.gz WKKNKNYUIKDKIQ-JTQLQIEISA-N 1 0 196.250 0.640 50 0 ACAARO NC(=[NH2+])c1scc2c1OCCO2 238613354 325632961 /nfs/dbraw/zinc/63/29/61/325632961.db2.gz MVEYLSVCXGMWIR-UHFFFAOYSA-N 1 0 184.220 0.803 50 0 ACAARO COC(=O)[C@@H]1CC[NH2+][C@H]2CCC[C@H]21 250363611 325634914 /nfs/dbraw/zinc/63/49/14/325634914.db2.gz HLGACRQFAUCKFM-YIZRAAEISA-N 1 0 183.251 0.938 50 0 ACAARO O[C@H]1CC[NH2+][C@@]12CCSC2 258145592 325637653 /nfs/dbraw/zinc/63/76/53/325637653.db2.gz RONUWACGYCYREO-NKWVEPMBSA-N 1 0 159.254 0.216 50 0 ACAARO CCOC(=O)[C@@]1(C[NH3+])CCCOC1 261275751 325638621 /nfs/dbraw/zinc/63/86/21/325638621.db2.gz RIQWMYAACFWKGJ-SECBINFHSA-N 1 0 187.239 0.305 50 0 in-vitro ACAARO COC(=O)C[C@@H]1C[NH2+]CC[C@@H]1C 260976887 325638632 /nfs/dbraw/zinc/63/86/32/325638632.db2.gz MGOYZIYHCVPAJF-JGVFFNPUSA-N 1 0 171.240 0.795 50 0 ACAARO CCOC(=O)[C@]1(C[NH3+])CCCOC1 261275752 325638666 /nfs/dbraw/zinc/63/86/66/325638666.db2.gz RIQWMYAACFWKGJ-VIFPVBQESA-N 1 0 187.239 0.305 50 0 in-vitro ACAARO COC(=O)C[C@H]1C[NH2+]CC[C@H]1C 260976888 325638671 /nfs/dbraw/zinc/63/86/71/325638671.db2.gz MGOYZIYHCVPAJF-SFYZADRCSA-N 1 0 171.240 0.795 50 0 ACAARO COC(=O)C[C@H]1C[NH2+]CC[C@@H]1C 260976889 325638681 /nfs/dbraw/zinc/63/86/81/325638681.db2.gz MGOYZIYHCVPAJF-YUMQZZPRSA-N 1 0 171.240 0.795 50 0 ACAARO [NH3+][C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 306763895 325639630 /nfs/dbraw/zinc/63/96/30/325639630.db2.gz JPCBVKFUWMYCBT-QYYLWSOASA-N 1 0 139.198 0.369 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC[C@@]2(CCOC2)O1 307146480 325640413 /nfs/dbraw/zinc/64/04/13/325640413.db2.gz NLPGTPQUEYJFEQ-SFYZADRCSA-N 1 0 157.213 0.283 50 0 ACAARO [NH3+]C[C@@H]1CC[C@]2(CCOC2)O1 307146478 325640471 /nfs/dbraw/zinc/64/04/71/325640471.db2.gz NLPGTPQUEYJFEQ-JGVFFNPUSA-N 1 0 157.213 0.283 50 0 ACAARO CC1CC(n2nnc3c2C[NH2+]CC3)C1 307270887 325640601 /nfs/dbraw/zinc/64/06/01/325640601.db2.gz NJDWQVVJNUEOEY-UHFFFAOYSA-N 1 0 192.266 0.895 50 0 in-vitro ACAARO C[C@@H]1C[C@@H]1CNC1=[NH+]CCCCN1 521396937 325644904 /nfs/dbraw/zinc/64/49/04/325644904.db2.gz JBMRYBPAUPYHEH-RKDXNWHRSA-N 1 0 181.283 0.971 50 0 ACAARO [NH3+]CCN1C[C@H]2CCCCN2C1=O 521398288 325644939 /nfs/dbraw/zinc/64/49/39/325644939.db2.gz NPIWYUMJLMKWEN-MRVPVSSYSA-N 1 0 183.255 0.235 50 0 ACAARO CC[C@@](C)(O)CNC1=[NH+]CCCCN1 521396915 325645011 /nfs/dbraw/zinc/64/50/11/325645011.db2.gz DODWPTUMCQNJNA-SNVBAGLBSA-N 1 0 199.298 0.476 50 0 ACAARO CC[C@](C)(O)CNC1=[NH+]CCCCN1 521396914 325645053 /nfs/dbraw/zinc/64/50/53/325645053.db2.gz DODWPTUMCQNJNA-JTQLQIEISA-N 1 0 199.298 0.476 50 0 ACAARO C[C@H]1C[C@H]1CNC1=[NH+]CCCCN1 521396936 325645055 /nfs/dbraw/zinc/64/50/55/325645055.db2.gz JBMRYBPAUPYHEH-IUCAKERBSA-N 1 0 181.283 0.971 50 0 ACAARO [NH3+]CC12CCC(CC1)O2 536960854 325673785 /nfs/dbraw/zinc/67/37/85/325673785.db2.gz UHVAPMHYHSSGOJ-UHFFFAOYSA-N 1 0 127.187 0.657 50 0 in-vitro ACAARO [NH3+][C@@H]1CO[C@@H](C2CC2)C1 536948671 325667153 /nfs/dbraw/zinc/66/71/53/325667153.db2.gz SZUYPFGFFGXXJN-NKWVEPMBSA-N 1 0 127.187 0.513 50 0 ACAARO [NH3+][C@H]1CO[C@H](C2CC2)C1 536948673 325667185 /nfs/dbraw/zinc/66/71/85/325667185.db2.gz SZUYPFGFFGXXJN-RQJHMYQMSA-N 1 0 127.187 0.513 50 0 ACAARO CCCNNc1ccc(C(N)=O)c[nH+]1 536952191 325668569 /nfs/dbraw/zinc/66/85/69/325668569.db2.gz BGICIRDBRRBFSW-UHFFFAOYSA-N 1 0 194.238 0.507 50 0 ACAARO CCCNNc1cc(C(N)=O)cc[nH+]1 536954057 325670142 /nfs/dbraw/zinc/67/01/42/325670142.db2.gz NADQCUCAKXZWEH-UHFFFAOYSA-N 1 0 194.238 0.507 50 0 ACAARO COC(=O)c1cncc(C(N)=[NH2+])c1 536957591 325672134 /nfs/dbraw/zinc/67/21/34/325672134.db2.gz KVSHRPUAPYULQL-UHFFFAOYSA-N 1 0 179.179 0.152 50 0 ACAARO [NH3+]C[C@@H]1CC2(CCOCC2)CO1 536958988 325673011 /nfs/dbraw/zinc/67/30/11/325673011.db2.gz VFUHVPPVJBZFKM-QMMMGPOBSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@H]1CC2(CCOCC2)CO1 536958986 325673013 /nfs/dbraw/zinc/67/30/13/325673013.db2.gz VFUHVPPVJBZFKM-MRVPVSSYSA-N 1 0 171.240 0.531 50 0 in-vitro ACAARO [NH3+]C[C@@H]1CC2(CCC2)CO1 536959083 325673053 /nfs/dbraw/zinc/67/30/53/325673053.db2.gz XBNRVYDQDZEGRM-ZETCQYMHSA-N 1 0 141.214 0.904 50 0 ACAARO C[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 158421 342929260 /nfs/dbraw/zinc/92/92/60/342929260.db2.gz CYHOMWAPJJPNMW-DHBOJHSNSA-N 1 0 141.214 0.604 50 0 biogenic,in-vitro ACAARO CCCCNC(N)=[NH2+] 1652055 342954564 /nfs/dbraw/zinc/95/45/64/342954564.db2.gz CGWBIHLHAGNJCX-UHFFFAOYSA-N 1 0 115.180 0.270 50 0 ACAARO CC1=CCN(CCNC(N)=[NH2+])CC1 1523 342923730 /nfs/dbraw/zinc/92/37/30/342923730.db2.gz WQVAYGCXSJMPRT-UHFFFAOYSA-N 1 0 182.271 0.121 50 0 in-man ACAARO CN(C)C(=O)Oc1ccc[n+](C)c1 2009 342923746 /nfs/dbraw/zinc/92/37/46/342923746.db2.gz RVOLLAQWKVFTGE-UHFFFAOYSA-N 1 0 181.215 0.572 50 0 fda ACAARO CCn1nnc(C2=CCC[N@H+](C)C2)n1 6302 342923779 /nfs/dbraw/zinc/92/37/79/342923779.db2.gz RNMOMKCRCIRYCZ-UHFFFAOYSA-N 1 0 193.254 0.412 50 0 investigational ACAARO Cc1nc(N)sc1CC[NH3+] 5099 342923817 /nfs/dbraw/zinc/92/38/17/342923817.db2.gz LHVRFUVVRXGZPV-UHFFFAOYSA-N 1 0 157.242 0.535 50 0 in-vitro ACAARO CCn1ccc(C[NH2+]C)n1 34155 342924560 /nfs/dbraw/zinc/92/45/60/342924560.db2.gz BBWULNDJJUENCE-UHFFFAOYSA-N 1 0 139.202 0.622 50 0 in-vitro ACAARO CN1N=[O+]C(=O)C1c1ccccc1 38383 342924573 /nfs/dbraw/zinc/92/45/73/342924573.db2.gz VRJLMYJFAGRJGJ-UHFFFAOYSA-O 1 0 177.183 0.872 50 0 ACAARO CCn1nccc1C[NH2+]C 34156 342924675 /nfs/dbraw/zinc/92/46/75/342924675.db2.gz IPBXAQNEXLMXRW-UHFFFAOYSA-N 1 0 139.202 0.622 50 0 in-vitro ACAARO C[C@H]1C[N@H+](C)[C@H](C)CC1=O 50696 342924947 /nfs/dbraw/zinc/92/49/47/342924947.db2.gz VQHHMWWQNKUPKH-NKWVEPMBSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO Cc1ccoc1C(=O)N1CC[NH2+]CC1 105610 342926807 /nfs/dbraw/zinc/92/68/07/342926807.db2.gz YWQLHLCNZWMECP-UHFFFAOYSA-N 1 0 194.234 0.633 50 0 ACAARO C[C@H]([NH3+])C(=O)N1CCCCC1 112495 342926973 /nfs/dbraw/zinc/92/69/73/342926973.db2.gz WHBVSWNJAJECCU-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO Cc1cc(C)[nH+]c(NN)n1 139160 342927686 /nfs/dbraw/zinc/92/76/86/342927686.db2.gz PHTHKSNCQCCOHM-UHFFFAOYSA-N 1 0 138.174 0.379 50 0 in-vitro ACAARO Cc1cc(N)cc[nH+]1 139435 342927830 /nfs/dbraw/zinc/92/78/30/342927830.db2.gz GNCLPNMQEGMNTG-UHFFFAOYSA-N 1 0 108.144 0.972 50 0 in-vitro ACAARO Cc1cc(C)n(C2=[NH+]CCN2)n1 140596 342928137 /nfs/dbraw/zinc/92/81/37/342928137.db2.gz UZVWHKOGMWQNDB-UHFFFAOYSA-N 1 0 164.212 0.307 50 0 ACAARO Cc1cc[nH+]c(N)c1 149580 342928166 /nfs/dbraw/zinc/92/81/66/342928166.db2.gz ORLGLBZRQYOWNA-UHFFFAOYSA-N 1 0 108.144 0.972 50 0 in-vivo ACAARO CN1CCC([NH2+]C2CC2)CC1 153929 342928630 /nfs/dbraw/zinc/92/86/30/342928630.db2.gz BJWQVPXVPMEZBB-UHFFFAOYSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC1(C)C[C@@H](C(N)=O)C(C)(C)[NH2+]1 155932 342928988 /nfs/dbraw/zinc/92/89/88/342928988.db2.gz POAGFQOGFRYOFM-LURJTMIESA-N 1 0 170.256 0.638 50 0 in-vitro ACAARO Cc1c(CCO)sc[n+]1C 156025 342928991 /nfs/dbraw/zinc/92/89/91/342928991.db2.gz VHDCMFVSARZDNW-UHFFFAOYSA-N 1 0 158.246 0.416 50 0 ACAARO CC(=O)CCC[NH+](C)C 158398 342929379 /nfs/dbraw/zinc/92/93/79/342929379.db2.gz HCRLXYVAWDRFBV-UHFFFAOYSA-N 1 0 129.203 0.917 50 0 in-vitro ACAARO Cc1cc(C[NH3+])no1 158683 342929701 /nfs/dbraw/zinc/92/97/01/342929701.db2.gz AZVWIMLQRLKLHH-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 in-vitro ACAARO C[C@H](O)/C=C/c1cccc[n+]1C 161851 342930108 /nfs/dbraw/zinc/93/01/08/342930108.db2.gz RIOHGMTWCGKJAR-UCUJLANTSA-N 1 0 164.228 0.905 50 0 ACAARO CC(C)(C)[C@@H]([NH3+])CO 162614 342930127 /nfs/dbraw/zinc/93/01/27/342930127.db2.gz JBULSURVMXPBNA-YFKPBYRVSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)(C)C(N)=[NH2+] 162996 342930390 /nfs/dbraw/zinc/93/03/90/342930390.db2.gz FNHMJTUQUPQWJN-UHFFFAOYSA-N 1 0 100.165 0.968 50 0 ACAARO Cc1ccc(C[NH3+])n1C 165949 342930875 /nfs/dbraw/zinc/93/08/75/342930875.db2.gz KMUHAJOXPNPERW-UHFFFAOYSA-N 1 0 124.187 0.792 50 0 in-vitro ACAARO Cc1nc(C(N)=[NH2+])cs1 166456 342930727 /nfs/dbraw/zinc/93/07/27/342930727.db2.gz SEHSTONTNZCNLJ-UHFFFAOYSA-N 1 0 141.199 0.736 50 0 in-vitro ACAARO CCCC12CNCC(C)(C[NH2+]C1)C2=O 213686 342931634 /nfs/dbraw/zinc/93/16/34/342931634.db2.gz KMXYPTALDKGFEA-UHFFFAOYSA-N 1 0 196.294 0.555 50 0 ACAARO CC1(C)CNC(=O)CC(C)(C)[NH2+]1 243136 342931966 /nfs/dbraw/zinc/93/19/66/342931966.db2.gz PKVUCJZQNJSHIH-UHFFFAOYSA-N 1 0 170.256 0.653 50 0 ACAARO Cc1ccc(OC[C@H](O)C[NH3+])cc1 289622 342932958 /nfs/dbraw/zinc/93/29/58/342932958.db2.gz AWPYDAIDERIOHM-SECBINFHSA-N 1 0 181.235 0.693 50 0 ACAARO C[C@H]1CN(C2CC[NH2+]CC2)C[C@@H](C)O1 299476 342933196 /nfs/dbraw/zinc/93/31/96/342933196.db2.gz MYYJFAYHVMWIDI-AOOOYVTPSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO Cc1n[nH]c(C)c1CC[NH3+] 316939 342933268 /nfs/dbraw/zinc/93/32/68/342933268.db2.gz MBQAPXFDQYOMRE-UHFFFAOYSA-N 1 0 139.202 0.528 50 0 in-vitro ACAARO C[n+]1cccc(N)c1 335002 342933935 /nfs/dbraw/zinc/93/39/35/342933935.db2.gz MVZHRMOZEJOWBB-UHFFFAOYSA-N 1 0 109.152 0.093 50 0 ACAARO Cc1c(C[NH3+])cnn1C 333395 342934145 /nfs/dbraw/zinc/93/41/45/342934145.db2.gz YMMVIBHFGRZKPK-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 in-vitro ACAARO C[NH+](C)Cn1nnc2ccccc21 344382 342934306 /nfs/dbraw/zinc/93/43/06/342934306.db2.gz QABYBLFTBSCYHR-UHFFFAOYSA-N 1 0 176.223 0.950 50 0 ACAARO CC[C@@H](CO)[NH2+]Cc1cccn1C 360295 342934778 /nfs/dbraw/zinc/93/47/78/342934778.db2.gz FFCNPHFRGAZNGS-VIFPVBQESA-N 1 0 182.267 0.886 50 0 ACAARO CC[C@H](CO)[NH2+]Cc1cccn1C 360296 342934818 /nfs/dbraw/zinc/93/48/18/342934818.db2.gz FFCNPHFRGAZNGS-SECBINFHSA-N 1 0 182.267 0.886 50 0 ACAARO Cc1[nH+]c2cc(N)ccc2n1CCO 366336 342935120 /nfs/dbraw/zinc/93/51/20/342935120.db2.gz UXFVMCHZDDTOBI-UHFFFAOYSA-N 1 0 191.234 0.919 50 0 in-vitro ACAARO C[N@@H+]1CCCC[C@@H]1CO 388346 342935516 /nfs/dbraw/zinc/93/55/16/342935516.db2.gz HXXJMMLIEYAFOZ-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC(=O)Nc1ccc2n(C)cc[n+]2c1 387367 342935556 /nfs/dbraw/zinc/93/55/56/342935556.db2.gz DAHSKKRDWIYSQB-UHFFFAOYSA-O 1 0 190.226 0.722 50 0 ACAARO C[N@@H+]1CCC[C@@H]1CCO 388248 342935603 /nfs/dbraw/zinc/93/56/03/342935603.db2.gz FYVMBPXFPFAECB-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO C[N@@H+]1CCCC[C@H]1CO 388344 342935630 /nfs/dbraw/zinc/93/56/30/342935630.db2.gz HXXJMMLIEYAFOZ-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H](C)O1 388171 342935706 /nfs/dbraw/zinc/93/57/06/342935706.db2.gz HNVIQLPOGUDBSU-OLQVQODUSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CN(C)C(=O)OCc1n(C)cc[n+]1C 387360 342935733 /nfs/dbraw/zinc/93/57/33/342935733.db2.gz VIDVRVQOCVNHJG-UHFFFAOYSA-N 1 0 198.246 0.048 50 0 ACAARO CC[n+]1ccn(C)c1 388672 342935934 /nfs/dbraw/zinc/93/59/34/342935934.db2.gz NJMWOUFKYKNWDW-UHFFFAOYSA-N 1 0 111.168 0.333 50 0 in-vitro ACAARO C[NH+](C)C(C)(C)CO 388586 342935973 /nfs/dbraw/zinc/93/59/73/342935973.db2.gz XRIBIDPMFSLGFS-UHFFFAOYSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[n+]1cccc(NC(N)=O)c1 391023 342936328 /nfs/dbraw/zinc/93/63/28/342936328.db2.gz YSPGTMHTWXZZGV-UHFFFAOYSA-O 1 0 152.177 0.002 50 0 ACAARO CN(N)C(=[NH2+])c1ccccc1 390948 342936377 /nfs/dbraw/zinc/93/63/77/342936377.db2.gz IGBMRYVVCKKFJM-UHFFFAOYSA-N 1 0 149.197 0.817 50 0 ACAARO Cc1ccc[n+](CCC(N)=O)c1 393589 342936664 /nfs/dbraw/zinc/93/66/64/342936664.db2.gz KAVXESIZERXXJA-UHFFFAOYSA-O 1 0 165.216 0.158 50 0 ACAARO C[NH+](C)C[C@@H]1CCCC1=O 392594 342936712 /nfs/dbraw/zinc/93/67/12/342936712.db2.gz QCHXYCFAPIOFIY-ZETCQYMHSA-N 1 0 141.214 0.917 50 0 in-vitro ACAARO Cc1cccc[n+]1CCC(N)=O 393588 342936731 /nfs/dbraw/zinc/93/67/31/342936731.db2.gz WSMLJQMYVLFYGU-UHFFFAOYSA-O 1 0 165.216 0.158 50 0 in-vitro ACAARO Cc1c[n+](C)c(C)cn1 393469 342936808 /nfs/dbraw/zinc/93/68/08/342936808.db2.gz YMZYIHQDFGJEKG-UHFFFAOYSA-N 1 0 123.179 0.523 50 0 ACAARO C[C@H](O)c1cccc[n+]1C 392600 342936829 /nfs/dbraw/zinc/93/68/29/342936829.db2.gz VBBMNOCFPQTZOX-ZETCQYMHSA-N 1 0 138.190 0.564 50 0 ACAARO C[C@H](O)C[NH+]1CCCC1 394009 342937107 /nfs/dbraw/zinc/93/71/07/342937107.db2.gz BPYANEJZLUMJNA-ZETCQYMHSA-N 1 0 129.203 0.463 50 0 in-vitro ACAARO CC[C@H](C)[C@H]([NH3+])CO 402998 342938224 /nfs/dbraw/zinc/93/82/24/342938224.db2.gz VTQHAQXFSHDMHT-NTSWFWBYSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[n+]1ccccc1CO 402010 342938226 /nfs/dbraw/zinc/93/82/26/342938226.db2.gz BPDPHODIAMIMSN-UHFFFAOYSA-N 1 0 124.163 0.003 50 0 ACAARO CC[n+]1csc(CCO)c1C 404660 342938536 /nfs/dbraw/zinc/93/85/36/342938536.db2.gz NFDLWKHZVUNLME-UHFFFAOYSA-N 1 0 172.273 0.899 50 0 in-vitro ACAARO C[NH+](C)Cc1ncccc1O 404374 342938670 /nfs/dbraw/zinc/93/86/70/342938670.db2.gz NUMYETXZBQVFDX-UHFFFAOYSA-N 1 0 152.197 0.849 50 0 in-vitro ACAARO Cc1cc(C)[n+](C)n1C 406359 342938800 /nfs/dbraw/zinc/93/88/00/342938800.db2.gz ZMKHDVWIHTXNTM-UHFFFAOYSA-N 1 0 125.195 0.466 50 0 ACAARO C[NH2+]C1CCN(C)CC1 407037 342938815 /nfs/dbraw/zinc/93/88/15/342938815.db2.gz XRYGCVVVDCEPRL-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[N@@H+](Cc1ccccc1)C[C@H](O)CO 405285 342938859 /nfs/dbraw/zinc/93/88/59/342938859.db2.gz HGPHYOVGIFFHJB-NSHDSACASA-N 1 0 195.262 0.472 50 0 in-vitro ACAARO Cc1cc[n+](C)n1C 406643 342938923 /nfs/dbraw/zinc/93/89/23/342938923.db2.gz DTUDMIINCAAINX-UHFFFAOYSA-N 1 0 111.168 0.158 50 0 ACAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CO 405287 342938968 /nfs/dbraw/zinc/93/89/68/342938968.db2.gz HGPHYOVGIFFHJB-LLVKDONJSA-N 1 0 195.262 0.472 50 0 in-vitro ACAARO CC(C)[NH2+]CC(C)(C)O 409876 342939318 /nfs/dbraw/zinc/93/93/18/342939318.db2.gz SYZDMLOUOSPLHO-UHFFFAOYSA-N 1 0 131.219 0.755 50 0 in-vitro ACAARO Cc1n(C)c2ncccc2[n+]1C 444791 342939534 /nfs/dbraw/zinc/93/95/34/342939534.db2.gz DMQUNXGEAFOPDU-UHFFFAOYSA-N 1 0 162.216 0.706 50 0 ACAARO Cc1cc(N)c2c([nH+]1)N(C)CC2 507372 342940316 /nfs/dbraw/zinc/94/03/16/342940316.db2.gz UZFDBAZYGWDJRG-UHFFFAOYSA-N 1 0 163.224 0.965 50 0 ACAARO CC1(C)C[N+](=O)C(C)(C)N1O 501283 342940337 /nfs/dbraw/zinc/94/03/37/342940337.db2.gz KOMUEOBUFGLNFJ-UHFFFAOYSA-N 1 0 158.201 0.787 50 0 ACAARO C[N@@H+]1CCC[C@H](CO)C1 507888 342940456 /nfs/dbraw/zinc/94/04/56/342940456.db2.gz UGXQXVDTGJCQHR-ZETCQYMHSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@@H](CO)C1 507886 342940498 /nfs/dbraw/zinc/94/04/98/342940498.db2.gz UGXQXVDTGJCQHR-SSDOTTSWSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO C[NH+](C)CCNC(=O)c1ccccn1 544974 342940765 /nfs/dbraw/zinc/94/07/65/342940765.db2.gz IKTMLCHVAZTPSB-UHFFFAOYSA-N 1 0 193.250 0.373 50 0 ACAARO Cc1ccccc1OC[C@H](O)C[NH3+] 792384 342941080 /nfs/dbraw/zinc/94/10/80/342941080.db2.gz DEWXUJSUQQMEGM-SECBINFHSA-N 1 0 181.235 0.693 50 0 ACAARO C[NH+]1CCC(n2nccc2N)CC1 801647 342941092 /nfs/dbraw/zinc/94/10/92/342941092.db2.gz QCNNKYQIYTZXJX-UHFFFAOYSA-N 1 0 180.255 0.732 50 0 in-vitro ACAARO Cc1ccccc1OC[C@@H](O)C[NH3+] 792386 342941222 /nfs/dbraw/zinc/94/12/22/342941222.db2.gz DEWXUJSUQQMEGM-VIFPVBQESA-N 1 0 181.235 0.693 50 0 ACAARO C[n+]1ccc(C=O)cc1 565312 342941248 /nfs/dbraw/zinc/94/12/48/342941248.db2.gz ANRUYQWAIMLNCS-UHFFFAOYSA-N 1 0 122.147 0.324 50 0 ACAARO CC(C)(C)C(=O)C[NH3+] 874081 342941470 /nfs/dbraw/zinc/94/14/70/342941470.db2.gz CRTRUQUJSMFWPD-UHFFFAOYSA-N 1 0 115.176 0.560 50 0 in-vitro ACAARO Nc1c(O)cccc1C(=O)CC[NH3+] 895830 342941642 /nfs/dbraw/zinc/94/16/42/342941642.db2.gz ODOPEICAGBYCFH-UHFFFAOYSA-N 1 0 180.207 0.506 50 0 in-man ACAARO Cc1cc(C)n(CC[NH3+])n1 812129 342941746 /nfs/dbraw/zinc/94/17/46/342941746.db2.gz FXLOXQBWUPCCDL-UHFFFAOYSA-N 1 0 139.202 0.459 50 0 in-vitro ACAARO C[n+]1ccccc1 901469 342941938 /nfs/dbraw/zinc/94/19/38/342941938.db2.gz PQBAWAQIRZIWIV-UHFFFAOYSA-N 1 0 94.137 0.511 50 0 in-vitro ACAARO Cc1cc[n+](C)cc1 967291 342942493 /nfs/dbraw/zinc/94/24/93/342942493.db2.gz IZPNVUYQWBZYEA-UHFFFAOYSA-N 1 0 108.164 0.820 50 0 ACAARO C[C@H]1C[N@H+](C)[C@@H](C)CC1=O 1055289 342943240 /nfs/dbraw/zinc/94/32/40/342943240.db2.gz VQHHMWWQNKUPKH-BQBZGAKWSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO C[C@H]1C[C@@H](O)[C@H](C)[N@H+](C)C1 1296167 342943998 /nfs/dbraw/zinc/94/39/98/342943998.db2.gz FYSXYJLZTKYTDU-BIIVOSGPSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@H]1C[N@H+](C)C[C@@H](C)C1=O 1296026 342944207 /nfs/dbraw/zinc/94/42/07/342944207.db2.gz QSEAGQPIZOIBLN-KNVOCYPGSA-N 1 0 141.214 0.773 50 0 ACAARO Cc1cc(C[C@@H](C)[NH3+])[nH]n1 1304674 342944342 /nfs/dbraw/zinc/94/43/42/342944342.db2.gz OHGJHBXVKFERPR-RXMQYKEDSA-N 1 0 139.202 0.608 50 0 in-vitro ACAARO Cc1cc(C[C@H](C)[NH3+])[nH]n1 1304675 342944485 /nfs/dbraw/zinc/94/44/85/342944485.db2.gz OHGJHBXVKFERPR-YFKPBYRVSA-N 1 0 139.202 0.608 50 0 in-vitro ACAARO C[N@H+]1CC=C(N2CCOCC2)CC1 1401405 342944876 /nfs/dbraw/zinc/94/48/76/342944876.db2.gz DCFOWKDNANGCTA-UHFFFAOYSA-N 1 0 182.267 0.538 50 0 ACAARO CC[C@H](C)C(N)=[NH2+] 1439399 342945189 /nfs/dbraw/zinc/94/51/89/342945189.db2.gz VEXJSFASSDRQRD-BYPYZUCNSA-N 1 0 100.165 0.968 50 0 in-vitro ACAARO CC(C)C(N)=[NH2+] 1420839 342945211 /nfs/dbraw/zinc/94/52/11/342945211.db2.gz NDAJNMAAXXIADY-UHFFFAOYSA-N 1 0 86.138 0.578 50 0 in-vitro ACAARO CCC(N)=[NH2+] 1420834 342945225 /nfs/dbraw/zinc/94/52/25/342945225.db2.gz GNFWGDKKNWGGJY-UHFFFAOYSA-N 1 0 72.111 0.332 50 0 in-vitro ACAARO CCCC(N)=[NH2+] 1437872 342945345 /nfs/dbraw/zinc/94/53/45/342945345.db2.gz RXKUYBRRTKRGME-UHFFFAOYSA-N 1 0 86.138 0.722 50 0 ACAARO COc1ccccc1C(N)=[NH2+] 1442740 342945366 /nfs/dbraw/zinc/94/53/66/342945366.db2.gz SZKBLRSZGQAWBA-UHFFFAOYSA-N 1 0 150.181 0.979 50 0 in-vitro ACAARO C[N@@H+]1CCc2nc[nH]c2C1 1563553 342947290 /nfs/dbraw/zinc/94/72/90/342947290.db2.gz IXEUYAHNQXAWNT-UHFFFAOYSA-N 1 0 137.186 0.398 50 0 ACAARO CC1(C)C[NH2+]1 1561543 342947381 /nfs/dbraw/zinc/94/73/81/342947381.db2.gz FGRJGEWVJCCOJJ-UHFFFAOYSA-N 1 0 71.123 0.368 50 0 in-vitro ACAARO C[C@H](O)[C@@H]1CCCC[NH2+]1 1580300 342948735 /nfs/dbraw/zinc/94/87/35/342948735.db2.gz GSPAVZIEDMALNO-BQBZGAKWSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[C@H](O)[C@H]1CCCC[NH2+]1 1580298 342948767 /nfs/dbraw/zinc/94/87/67/342948767.db2.gz GSPAVZIEDMALNO-NKWVEPMBSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO CN(C)CNC(=O)c1ccccc1 1580610 342948885 /nfs/dbraw/zinc/94/88/85/342948885.db2.gz VEROGXNNWXHGRF-UHFFFAOYSA-N 1 0 178.235 0.936 50 0 ACAARO C[C@H](O)C1CC[NH2+]CC1 1584638 342949281 /nfs/dbraw/zinc/94/92/81/342949281.db2.gz NDJKRLGXVKYIGQ-LURJTMIESA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[NH2+]C(C)C 1587810 342949497 /nfs/dbraw/zinc/94/94/97/342949497.db2.gz XHFGWHUWQXTGAT-UHFFFAOYSA-N 1 0 73.139 0.614 50 0 in-vitro ACAARO CC(C)OCCC[NH3+] 1587608 342949619 /nfs/dbraw/zinc/94/96/19/342949619.db2.gz VHYUNSUGCNKWSO-UHFFFAOYSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CCCC[NH2+]CCO 1587838 342949707 /nfs/dbraw/zinc/94/97/07/342949707.db2.gz LJDSTRZHPWMDPG-UHFFFAOYSA-N 1 0 117.192 0.368 50 0 ACAARO CC(=O)OCC1CC[NH2+]CC1 1596208 342950443 /nfs/dbraw/zinc/95/04/43/342950443.db2.gz KQGBGOUNTHYCMQ-UHFFFAOYSA-N 1 0 157.213 0.549 50 0 in-vitro ACAARO C[NH+](C)CC(C)(C)CO 1596206 342950513 /nfs/dbraw/zinc/95/05/13/342950513.db2.gz PYEWZDAEJUUIJX-UHFFFAOYSA-N 1 0 131.219 0.567 50 0 ACAARO [NH3+]CC(=O)Nc1ccccc1 1596847 342950539 /nfs/dbraw/zinc/95/05/39/342950539.db2.gz QRKJNCRCYBKANP-UHFFFAOYSA-N 1 0 150.181 0.584 50 0 in-vitro ACAARO CCCCCC[NH+](CCO)CCO 1604113 342951559 /nfs/dbraw/zinc/95/15/59/342951559.db2.gz GIACMWUKBLHAAG-UHFFFAOYSA-N 1 0 189.299 0.853 50 0 ACAARO CCSC1=[NH+]CCN1 1605496 342951724 /nfs/dbraw/zinc/95/17/24/342951724.db2.gz CSYAQCWITOMLMK-UHFFFAOYSA-N 1 0 130.216 0.699 50 0 ACAARO C[C@](C[NH3+])(CO)c1ccccc1 1611763 342951827 /nfs/dbraw/zinc/95/18/27/342951827.db2.gz DBPJVHHWVIXIEJ-JTQLQIEISA-N 1 0 165.236 0.895 50 0 in-vitro ACAARO C[C@H]([NH2+]CCO)[C@@H](O)c1ccccc1 1615763 342952259 /nfs/dbraw/zinc/95/22/59/342952259.db2.gz WDGSTBTXYPCSLW-GXSJLCMTSA-N 1 0 195.262 0.690 50 0 in-vitro ACAARO C[C@H]([NH2+]CCO)[C@H](O)c1ccccc1 1615761 342952264 /nfs/dbraw/zinc/95/22/64/342952264.db2.gz WDGSTBTXYPCSLW-ONGXEEELSA-N 1 0 195.262 0.690 50 0 in-vitro ACAARO O=C1[O+]=NN2CCCCC12 1614602 342952419 /nfs/dbraw/zinc/95/24/19/342952419.db2.gz OBCUGZUJWKHNHA-UHFFFAOYSA-O 1 0 141.150 0.004 50 0 in-vitro ACAARO COc1ccccc1C[NH2+]CCO 1621681 342952639 /nfs/dbraw/zinc/95/26/39/342952639.db2.gz AGPIPNWQAIQDNS-UHFFFAOYSA-N 1 0 181.235 0.777 50 0 in-vitro ACAARO CC1=C[N+](=O)C(C)(C)N1 1639009 342953423 /nfs/dbraw/zinc/95/34/23/342953423.db2.gz CNIGTNPXWSLRPH-UHFFFAOYSA-N 1 0 126.159 0.778 50 0 ACAARO C[n+]1cccc([O-])c1 1635609 342953448 /nfs/dbraw/zinc/95/34/48/342953448.db2.gz FZVAZYLFYPULKX-UHFFFAOYSA-O 1 0 110.136 0.217 50 0 in-vitro ACAARO CC[C@@H](C[NH3+])CCO 1641740 342953704 /nfs/dbraw/zinc/95/37/04/342953704.db2.gz XRMZDFLZTLVQKQ-ZCFIWIBFSA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO C[C@H]1COC[C@@H](C)[NH2+]1 1646614 342954083 /nfs/dbraw/zinc/95/40/83/342954083.db2.gz MDKHWJFKHDRFFZ-OLQVQODUSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[NH+](C)CCCCO 1648980 342954169 /nfs/dbraw/zinc/95/41/69/342954169.db2.gz QCTOLMMTYSGTDA-UHFFFAOYSA-N 1 0 117.192 0.321 50 0 in-vitro ACAARO C[NH+](C)CCCCCO 1648997 342954463 /nfs/dbraw/zinc/95/44/63/342954463.db2.gz HFLIHGJYVCGOEH-UHFFFAOYSA-N 1 0 131.219 0.711 50 0 in-vitro ACAARO CC[C@H](C)C[NH2+]CCO 1655728 342954713 /nfs/dbraw/zinc/95/47/13/342954713.db2.gz LYOUIPAWIRANIU-ZETCQYMHSA-N 1 0 131.219 0.614 50 0 ACAARO N[n+]1cccc2ccccc21 1669298 342955925 /nfs/dbraw/zinc/95/59/25/342955925.db2.gz XNJRVIPOYDUAMM-UHFFFAOYSA-N 1 0 145.185 0.841 50 0 ACAARO CCCCOCC[NH3+] 1672246 342956381 /nfs/dbraw/zinc/95/63/81/342956381.db2.gz BFBKUYFMLNOLOQ-UHFFFAOYSA-N 1 0 117.192 0.762 50 0 ACAARO CCCCOCCOCC[NH3+] 1672247 342956445 /nfs/dbraw/zinc/95/64/45/342956445.db2.gz LVFVRCPHJZOLAT-UHFFFAOYSA-N 1 0 161.245 0.778 50 0 in-vitro ACAARO CCCC[N@H+](C)CCO 1671857 342956455 /nfs/dbraw/zinc/95/64/55/342956455.db2.gz YSNMZQFDMNKNFQ-UHFFFAOYSA-N 1 0 131.219 0.711 50 0 in-vitro ACAARO [NH3+]CC(=O)Nc1ccc(O)cc1 1671837 342956530 /nfs/dbraw/zinc/95/65/30/342956530.db2.gz KSHDSWRHTYVABI-UHFFFAOYSA-N 1 0 166.180 0.289 50 0 in-vitro ACAARO CC[n+]1ccc(C(=O)OC)cc1 1673560 342956860 /nfs/dbraw/zinc/95/68/60/342956860.db2.gz CXUZILQYXHNBRR-UHFFFAOYSA-N 1 0 166.200 0.781 50 0 ACAARO C[NH+](C)[C@@H]1CCCC[C@@H]1O 1677383 342957081 /nfs/dbraw/zinc/95/70/81/342957081.db2.gz UFUVLAQFZSUWHR-SFYZADRCSA-N 1 0 143.230 0.852 50 0 ACAARO C[NH+](C)[C@H]1CCCC[C@@H]1O 1677382 342957147 /nfs/dbraw/zinc/95/71/47/342957147.db2.gz UFUVLAQFZSUWHR-YUMQZZPRSA-N 1 0 143.230 0.852 50 0 in-vitro ACAARO CC(C)[N@H+](C)CCO 1677399 342957156 /nfs/dbraw/zinc/95/71/56/342957156.db2.gz OFRNAQFDQREXMU-UHFFFAOYSA-N 1 0 117.192 0.319 50 0 ACAARO C[NH+](C)[C@H]1CCCC[C@H]1O 1677380 342957236 /nfs/dbraw/zinc/95/72/36/342957236.db2.gz UFUVLAQFZSUWHR-JGVFFNPUSA-N 1 0 143.230 0.852 50 0 ACAARO C[NH+](C)[C@@H]1CCCC[C@H]1O 1677381 342957312 /nfs/dbraw/zinc/95/73/12/342957312.db2.gz UFUVLAQFZSUWHR-HTQZYQBOSA-N 1 0 143.230 0.852 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](O)c1cccc(O)c1 1678601 342957624 /nfs/dbraw/zinc/95/76/24/342957624.db2.gz WXFIGDLSSYIKKV-IMTBSYHQSA-N 1 0 167.208 0.773 50 0 in-vitro ACAARO CC[C@@H](CO)[NH2+]C(C)C 1681251 342957999 /nfs/dbraw/zinc/95/79/99/342957999.db2.gz HHZREYAIWSZPGE-ZETCQYMHSA-N 1 0 131.219 0.755 50 0 ACAARO CCC(CC)[NH2+]CCO 1687476 342958876 /nfs/dbraw/zinc/95/88/76/342958876.db2.gz OJHNDOBCWQCFOH-UHFFFAOYSA-N 1 0 131.219 0.757 50 0 ACAARO Cc1cccc(C[NH3+])n1 1690010 342959035 /nfs/dbraw/zinc/95/90/35/342959035.db2.gz HXFYXLLVIVSPLT-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO CCCC[NH+](CCO)CCO 1690079 342959061 /nfs/dbraw/zinc/95/90/61/342959061.db2.gz GVNHOISKXMSMPX-UHFFFAOYSA-N 1 0 161.245 0.073 50 0 ACAARO CC[C@H](O)[C@H]1CCCC[NH2+]1 1692996 342959310 /nfs/dbraw/zinc/95/93/10/342959310.db2.gz VCCAAURNBULZRR-SFYZADRCSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO C[N@H+]1CC=CCC1 1693919 342959312 /nfs/dbraw/zinc/95/93/12/342959312.db2.gz AUFIRGPROMANKW-UHFFFAOYSA-N 1 0 97.161 0.878 50 0 ACAARO CC[C@@H](O)[C@@H]1CCCC[NH2+]1 1692999 342959318 /nfs/dbraw/zinc/95/93/18/342959318.db2.gz VCCAAURNBULZRR-JGVFFNPUSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO CC[C@@H](O)[C@H]1CCCC[NH2+]1 1692997 342959474 /nfs/dbraw/zinc/95/94/74/342959474.db2.gz VCCAAURNBULZRR-HTQZYQBOSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO CNC1=[NH+][C@@H]2CCCC[C@H]2O1 1694107 342959637 /nfs/dbraw/zinc/95/96/37/342959637.db2.gz BHOYTPLTOGANMK-RNFRBKRXSA-N 1 0 154.213 0.903 50 0 ACAARO CCCC[C@@H]([NH3+])CO 1694091 342959664 /nfs/dbraw/zinc/95/96/64/342959664.db2.gz DPEOTCPCYHSVTC-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CNC1=[NH+][C@H]2CCCC[C@H]2O1 1694105 342959668 /nfs/dbraw/zinc/95/96/68/342959668.db2.gz BHOYTPLTOGANMK-NKWVEPMBSA-N 1 0 154.213 0.903 50 0 ACAARO [NH3+]C1CCSCC1 1698091 342960066 /nfs/dbraw/zinc/96/00/66/342960066.db2.gz RPIXOLUIHUFDOY-UHFFFAOYSA-N 1 0 117.217 0.841 50 0 in-vitro ACAARO C[C@H](O)[C@H]1CCC[NH2+]C1 1706731 342960811 /nfs/dbraw/zinc/96/08/11/342960811.db2.gz DIIJLQSRNWMPCC-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 ACAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)C2=O 1706469 342960938 /nfs/dbraw/zinc/96/09/38/342960938.db2.gz PWDMSFNAQAQMBT-KNVOCYPGSA-N 1 0 139.198 0.527 50 0 in-vitro ACAARO CCCCC[NH2+]CCO 1716840 342961580 /nfs/dbraw/zinc/96/15/80/342961580.db2.gz SALYKAIZVOFAEJ-UHFFFAOYSA-N 1 0 131.219 0.759 50 0 ACAARO C[NH2+]CCCCOC 1720744 342961937 /nfs/dbraw/zinc/96/19/37/342961937.db2.gz MNJUYFSNXVZTKS-UHFFFAOYSA-N 1 0 117.192 0.632 50 0 in-vitro ACAARO CN1C[C@H]2CC[C@@H](CC1=O)[N@@H+]2C 1721915 342962431 /nfs/dbraw/zinc/96/24/31/342962431.db2.gz HNDXTHOYSWHZEI-JGVFFNPUSA-N 1 0 168.240 0.311 50 0 ACAARO CC[C@@H](O)C[NH+](C)C 1733916 342963054 /nfs/dbraw/zinc/96/30/54/342963054.db2.gz ZABFSYBSTIHNAE-ZCFIWIBFSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@H](O)C(C)C 1759081 342964100 /nfs/dbraw/zinc/96/41/00/342964100.db2.gz KHRLRJPSKWLLPI-RNFRBKRXSA-N 1 0 131.219 0.741 50 0 ACAARO CC[C@H]([NH3+])[C@H](O)C(C)C 1759079 342964129 /nfs/dbraw/zinc/96/41/29/342964129.db2.gz KHRLRJPSKWLLPI-NKWVEPMBSA-N 1 0 131.219 0.741 50 0 ACAARO CC(C)[C@@H](O)[C@@H](C)[NH3+] 1759071 342964167 /nfs/dbraw/zinc/96/41/67/342964167.db2.gz QLKNFSOWJQLKLV-PHDIDXHHSA-N 1 0 117.192 0.351 50 0 ACAARO CC[C@H]([NH3+])[C@@H](C)O 1759057 342964178 /nfs/dbraw/zinc/96/41/78/342964178.db2.gz BKFGLDUWYUYHRF-UHNVWZDZSA-N 1 0 103.165 0.105 50 0 ACAARO CC[C@H]([NH3+])[C@H](C)O 1759060 342964184 /nfs/dbraw/zinc/96/41/84/342964184.db2.gz BKFGLDUWYUYHRF-WHFBIAKZSA-N 1 0 103.165 0.105 50 0 ACAARO CC[C@H](CO)[NH+](C)C 1759086 342964193 /nfs/dbraw/zinc/96/41/93/342964193.db2.gz LUWCDIUTGJVEQX-ZCFIWIBFSA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@H](C)O 1759061 342964247 /nfs/dbraw/zinc/96/42/47/342964247.db2.gz BKFGLDUWYUYHRF-CRCLSJGQSA-N 1 0 103.165 0.105 50 0 ACAARO C[C@H]([NH3+])[C@@H](O)c1ccccc1O 1843799 342964736 /nfs/dbraw/zinc/96/47/36/342964736.db2.gz DNGMWKBHVLBBML-IMTBSYHQSA-N 1 0 167.208 0.773 50 0 ACAARO C[C@H]([NH3+])[C@H](O)c1ccccc1O 1843802 342964788 /nfs/dbraw/zinc/96/47/88/342964788.db2.gz DNGMWKBHVLBBML-RCOVLWMOSA-N 1 0 167.208 0.773 50 0 ACAARO CC[C@H](C)[NH3+] 1850036 342965246 /nfs/dbraw/zinc/96/52/46/342965246.db2.gz BHRZNVHARXXAHW-BYPYZUCNSA-N 1 0 73.139 0.744 50 0 endogenous,in-man ACAARO CCC[NH+](C)C 1850919 342965257 /nfs/dbraw/zinc/96/52/57/342965257.db2.gz ZUHZZVMEUAUWHY-UHFFFAOYSA-N 1 0 87.166 0.958 50 0 ACAARO CN1CCC2(CC[NH2+]CC2)C1=O 1872170 342965418 /nfs/dbraw/zinc/96/54/18/342965418.db2.gz JTWGSQNWXVCXLD-UHFFFAOYSA-N 1 0 168.240 0.218 50 0 in-vitro ACAARO C[C@H]1CC[NH+]=C(N)C1 1891070 342965521 /nfs/dbraw/zinc/96/55/21/342965521.db2.gz GGDLOMFAKKVDPT-YFKPBYRVSA-N 1 0 112.176 0.983 50 0 in-vivo ACAARO Cc1ccc(CNC(N)=[NH2+])cc1 2019697 342967233 /nfs/dbraw/zinc/96/72/33/342967233.db2.gz VZIQPOAQCQRQTQ-UHFFFAOYSA-N 1 0 163.224 0.978 50 0 ACAARO CC1=[NH+]CCN1 2034884 342967830 /nfs/dbraw/zinc/96/78/30/342967830.db2.gz VWSLLSXLURJCDF-UHFFFAOYSA-N 1 0 84.122 0.008 50 0 in-vitro ACAARO CC(C)[C@H](C)[NH3+] 2034506 342967833 /nfs/dbraw/zinc/96/78/33/342967833.db2.gz JOZZAIIGWFLONA-YFKPBYRVSA-N 1 0 87.166 0.990 50 0 in-vitro ACAARO CCC1=[NH+]CCN1 2040166 342968673 /nfs/dbraw/zinc/96/86/73/342968673.db2.gz QUPKCFBHJFNUEW-UHFFFAOYSA-N 1 0 98.149 0.398 50 0 in-vitro ACAARO CCCC[C@H]([NH3+])CO 2043652 342968871 /nfs/dbraw/zinc/96/88/71/342968871.db2.gz DPEOTCPCYHSVTC-LURJTMIESA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CC[C@H](C)C[NH3+] 2041177 342969056 /nfs/dbraw/zinc/96/90/56/342969056.db2.gz VJROPLWGFCORRM-YFKPBYRVSA-N 1 0 87.166 0.991 50 0 endogenous,in-man ACAARO CC[C@@H](CO)[NH+](C)C 2044667 342969235 /nfs/dbraw/zinc/96/92/35/342969235.db2.gz LUWCDIUTGJVEQX-LURJTMIESA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO CC[C@H](CO)[NH2+]C(C)C 2044804 342969280 /nfs/dbraw/zinc/96/92/80/342969280.db2.gz HHZREYAIWSZPGE-SSDOTTSWSA-N 1 0 131.219 0.755 50 0 ACAARO C[C@H]1C=C[C@@H](C)[NH2+]1 2140986 342969496 /nfs/dbraw/zinc/96/94/96/342969496.db2.gz TXQDHQBSNAJSHQ-OLQVQODUSA-N 1 0 97.161 0.923 50 0 in-vitro ACAARO CC[C@H](C[NH3+])CCO 2048739 342969717 /nfs/dbraw/zinc/96/97/17/342969717.db2.gz XRMZDFLZTLVQKQ-LURJTMIESA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO CCCC[NH2+][C@H](C)CO 2160299 342970105 /nfs/dbraw/zinc/97/01/05/342970105.db2.gz PGUQLWBFYNLYAB-SSDOTTSWSA-N 1 0 131.219 0.757 50 0 ACAARO C[NH2+]CCCNC(=O)c1ccccn1 2212863 342970906 /nfs/dbraw/zinc/97/09/06/342970906.db2.gz KTCLJYAMKRNDDH-UHFFFAOYSA-N 1 0 193.250 0.421 50 0 ACAARO Cc1cnc(C[NH3+])cn1 2243903 342971273 /nfs/dbraw/zinc/97/12/73/342971273.db2.gz MPBCUCGKHDEUDD-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CN(CC[NH3+])C(=O)OC(C)(C)C 2244150 342971347 /nfs/dbraw/zinc/97/13/47/342971347.db2.gz QYJVBVKFXDHFPQ-UHFFFAOYSA-N 1 0 174.244 0.812 50 0 in-vitro ACAARO CC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 2458649 342972133 /nfs/dbraw/zinc/97/21/33/342972133.db2.gz IYMHRCANDIVXEC-JGVFFNPUSA-N 1 0 191.296 0.562 50 0 ACAARO CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)[O-] 2392298 342972180 /nfs/dbraw/zinc/97/21/80/342972180.db2.gz CBAWNLIZBXJSFS-QMMMGPOBSA-N 1 0 188.271 0.567 50 0 in-vitro ACAARO Cc1ccnn1CCC[NH3+] 2390457 342972194 /nfs/dbraw/zinc/97/21/94/342972194.db2.gz XSPHDDUROPJBIC-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 in-vitro ACAARO CCc1ccc(OC[C@@H](O)C[NH3+])cc1 2454814 342972236 /nfs/dbraw/zinc/97/22/36/342972236.db2.gz NTWCZHYXSNPMKQ-JTQLQIEISA-N 1 0 195.262 0.947 50 0 in-vitro ACAARO Cc1ccn(CCC[NH3+])n1 2390455 342972397 /nfs/dbraw/zinc/97/23/97/342972397.db2.gz CRXPPSOPUXNVOU-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 in-vitro ACAARO CCc1ccc(OC[C@H](O)C[NH3+])cc1 2454813 342972411 /nfs/dbraw/zinc/97/24/11/342972411.db2.gz NTWCZHYXSNPMKQ-SNVBAGLBSA-N 1 0 195.262 0.947 50 0 in-vitro ACAARO C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1CCCO 2492627 342972689 /nfs/dbraw/zinc/97/26/89/342972689.db2.gz MJLJZHRSNXUBLH-BDAKNGLRSA-N 1 0 185.267 0.668 50 0 ACAARO C[NH2+]CCCCCCO 2507935 342972926 /nfs/dbraw/zinc/97/29/26/342972926.db2.gz RURWAYHDLRPVAE-UHFFFAOYSA-N 1 0 131.219 0.759 50 0 ACAARO Cc1ccc(S(=O)(=O)CC[NH3+])cc1 2513175 342973270 /nfs/dbraw/zinc/97/32/70/342973270.db2.gz CQTYBCCVEBZJEX-UHFFFAOYSA-N 1 0 199.275 0.727 50 0 in-vitro ACAARO C[C@H]1C(=O)CC[N@H+](C)[C@@H]1C 2510505 342973340 /nfs/dbraw/zinc/97/33/40/342973340.db2.gz QVQFNUCLTKVBBY-RNFRBKRXSA-N 1 0 141.214 0.916 50 0 ACAARO C[C@H]([NH3+])c1ccnn1C 2537539 342975394 /nfs/dbraw/zinc/97/53/94/342975394.db2.gz RRQYXOXCBVYWMU-YFKPBYRVSA-N 1 0 125.175 0.440 50 0 ACAARO CCC[NH2+]CCOC 2516942 342973824 /nfs/dbraw/zinc/97/38/24/342973824.db2.gz UDZCEFCJEGGQOJ-UHFFFAOYSA-N 1 0 117.192 0.632 50 0 in-vitro ACAARO CN(C)c1ccc(C[C@H]([NH3+])CO)cc1 2513328 342973850 /nfs/dbraw/zinc/97/38/50/342973850.db2.gz ZTOHUVFPVDSUPB-JTQLQIEISA-N 1 0 194.278 0.615 50 0 in-vitro ACAARO CC1=C2NC(=O)CC[N@@H+]2C=CC1 2527921 342974349 /nfs/dbraw/zinc/97/43/49/342974349.db2.gz KPLGMHCHNZIWDX-UHFFFAOYSA-N 1 0 164.208 0.957 50 0 ACAARO Cc1ccc(C[NH2+]CCO)o1 2522939 342974382 /nfs/dbraw/zinc/97/43/82/342974382.db2.gz HIZNEGARRMKWNB-UHFFFAOYSA-N 1 0 155.197 0.670 50 0 in-vitro ACAARO CCCCNc1nc(N)[nH+]c(N)n1 2527927 342974643 /nfs/dbraw/zinc/97/46/43/342974643.db2.gz CVKGSDYWCFQOKU-UHFFFAOYSA-N 1 0 182.231 0.248 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])Cn1ccnc1 2529095 342974681 /nfs/dbraw/zinc/97/46/81/342974681.db2.gz WTLWICNVCQQXTL-MRVPVSSYSA-N 1 0 153.229 0.866 50 0 in-vitro ACAARO Cc1ccc([C@@H](O)C[NH3+])cc1 2529129 342974685 /nfs/dbraw/zinc/97/46/85/342974685.db2.gz JHBXVBYRGVHEAH-VIFPVBQESA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO Cc1cnc(C(N)=[NH2+])cn1 2528756 342974740 /nfs/dbraw/zinc/97/47/40/342974740.db2.gz QABMWLCUGMXHHK-UHFFFAOYSA-N 1 0 136.158 0.069 50 0 ACAARO Cc1cnn(CC[NH3+])c1 2535109 342975246 /nfs/dbraw/zinc/97/52/46/342975246.db2.gz NCMDCWBSYIDNHM-UHFFFAOYSA-N 1 0 125.175 0.150 50 0 in-vitro ACAARO CCn1nccc1[C@H](C)[NH3+] 2537540 342975508 /nfs/dbraw/zinc/97/55/08/342975508.db2.gz PRSOTDKUNIQGKW-LURJTMIESA-N 1 0 139.202 0.923 50 0 ACAARO C[C@H]([NH3+])Cn1cccn1 2537938 342975515 /nfs/dbraw/zinc/97/55/15/342975515.db2.gz UWVUXGHAXNILPG-LURJTMIESA-N 1 0 125.175 0.230 50 0 in-vitro ACAARO Cc1nccn1CCC[NH3+] 2545833 342975644 /nfs/dbraw/zinc/97/56/44/342975644.db2.gz NDUDHWBKFFJGMA-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 in-vitro ACAARO C[C@H]1CC(=O)CC[NH2+]1 2553963 342976072 /nfs/dbraw/zinc/97/60/72/342976072.db2.gz OFVHMZSKMQPCKB-YFKPBYRVSA-N 1 0 113.160 0.327 50 0 in-vitro ACAARO C[C@H]([NH3+])Cn1ccnc1 2553875 342976197 /nfs/dbraw/zinc/97/61/97/342976197.db2.gz DFKZNFOZJHOROX-LURJTMIESA-N 1 0 125.175 0.230 50 0 in-vitro ACAARO CC(C)OC(=O)[C@H]1CCC[NH2+]1 2556652 342976247 /nfs/dbraw/zinc/97/62/47/342976247.db2.gz NAHHGJMBRWRITI-SSDOTTSWSA-N 1 0 157.213 0.690 50 0 ACAARO CC(C)[N@@H+]1CC[C@H](O)C1 2556865 342976256 /nfs/dbraw/zinc/97/62/56/342976256.db2.gz MYFPIRLHESHOGR-ZETCQYMHSA-N 1 0 129.203 0.461 50 0 in-vitro ACAARO Cc1cnn(CCC[NH3+])c1 2549610 342976279 /nfs/dbraw/zinc/97/62/79/342976279.db2.gz SRHIOMAWWIRJCB-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 in-vitro ACAARO Cc1nn(C)cc1[C@@H](C)[NH3+] 2558414 342976443 /nfs/dbraw/zinc/97/64/43/342976443.db2.gz ZHCIXQMRFVTGGF-RXMQYKEDSA-N 1 0 139.202 0.748 50 0 in-vitro ACAARO C[C@H]([NH3+])c1cnn(C)c1 2559653 342976454 /nfs/dbraw/zinc/97/64/54/342976454.db2.gz KIPVVJYELYMMQA-YFKPBYRVSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO Cc1nnsc1SCC[NH3+] 2557483 342976484 /nfs/dbraw/zinc/97/64/84/342976484.db2.gz JNWPIAXWCIHVJL-UHFFFAOYSA-N 1 0 175.282 0.897 50 0 ACAARO CC(C)OCC[NH3+] 2556906 342976580 /nfs/dbraw/zinc/97/65/80/342976580.db2.gz USECIYVEPXUVHT-UHFFFAOYSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO Cc1c([C@@H](C)[NH3+])cnn1C 2558415 342976705 /nfs/dbraw/zinc/97/67/05/342976705.db2.gz UKAIZVWWRMRVIH-RXMQYKEDSA-N 1 0 139.202 0.748 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])C(=O)NC(C)(C)C 2561140 342976916 /nfs/dbraw/zinc/97/69/16/342976916.db2.gz SIZVNUMWTAXYAR-ZETCQYMHSA-N 1 0 172.272 0.884 50 0 in-vitro ACAARO CC[C@@H]([NH3+])COC 2563296 342976981 /nfs/dbraw/zinc/97/69/81/342976981.db2.gz QAFODUGVXFNLBE-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 ACAARO C[C@H]1[C@@H](O)CC[N@H+](C)[C@@H]1C 2570295 342977587 /nfs/dbraw/zinc/97/75/87/342977587.db2.gz RKKHEISNQPMYEF-PRJMDXOYSA-N 1 0 143.230 0.707 50 0 ACAARO CNC(=O)[C@@H]([NH3+])C(C)(C)C 2568180 342977664 /nfs/dbraw/zinc/97/76/64/342977664.db2.gz BPKJNEIOHOEWLO-RXMQYKEDSA-N 1 0 144.218 0.106 50 0 in-vivo ACAARO C[C@H]1COC2(CC[NH2+]CC2)O1 2572547 342977950 /nfs/dbraw/zinc/97/79/50/342977950.db2.gz HVIXIYZITLDVOU-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 ACAARO CCn1cc(C[NH2+]C)c(C)n1 2576727 342978370 /nfs/dbraw/zinc/97/83/70/342978370.db2.gz UBCBUBZNNWRDQG-UHFFFAOYSA-N 1 0 153.229 0.931 50 0 in-vitro ACAARO CCn1ncc(C[NH3+])c1C 2578430 342978446 /nfs/dbraw/zinc/97/84/46/342978446.db2.gz WYHPBQDJDVJZBQ-UHFFFAOYSA-N 1 0 139.202 0.670 50 0 ACAARO CCn1cc(C[NH3+])c(C)n1 2576725 342978457 /nfs/dbraw/zinc/97/84/57/342978457.db2.gz RGMVBQDEJONUNA-UHFFFAOYSA-N 1 0 139.202 0.670 50 0 in-vitro ACAARO CCn1cc(C[NH3+])cn1 2578431 342978505 /nfs/dbraw/zinc/97/85/05/342978505.db2.gz MIAQYVFWXDEYAK-UHFFFAOYSA-N 1 0 125.175 0.362 50 0 in-vitro ACAARO CCC(=O)OC1CC[NH2+]CC1 2583793 342978984 /nfs/dbraw/zinc/97/89/84/342978984.db2.gz WKXUAPWRMDKVSA-UHFFFAOYSA-N 1 0 157.213 0.692 50 0 ACAARO Cc1ccc(N)c(N)[nH+]1 2585527 342979254 /nfs/dbraw/zinc/97/92/54/342979254.db2.gz XATOCNYGIWXIQM-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO Cc1cc(N)[nH+]cc1N 2585535 342979269 /nfs/dbraw/zinc/97/92/69/342979269.db2.gz HSWAACWBNMVEEW-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO Cc1[nH+]c(N)ccc1N 2585528 342979285 /nfs/dbraw/zinc/97/92/85/342979285.db2.gz BPOAAORKNIRNMF-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 ACAARO C[C@](O)(C[NH3+])c1ccccc1 2599330 342979302 /nfs/dbraw/zinc/97/93/02/342979302.db2.gz BDNDQOCRJGGSJO-VIFPVBQESA-N 1 0 151.209 0.853 50 0 in-vitro ACAARO Cc1c([C@H](C)[NH3+])cnn1C 2732115 342979356 /nfs/dbraw/zinc/97/93/56/342979356.db2.gz UKAIZVWWRMRVIH-YFKPBYRVSA-N 1 0 139.202 0.748 50 0 in-vitro ACAARO CCCNC(=O)NCC[NH+](C)C 2668861 342979384 /nfs/dbraw/zinc/97/93/84/342979384.db2.gz VZEDQHVLNFTYJN-UHFFFAOYSA-N 1 0 173.260 0.257 50 0 ACAARO CC[C@@H]1CO[C@H](C)C[NH2+]1 2650221 342979441 /nfs/dbraw/zinc/97/94/41/342979441.db2.gz MNGOCGNQLBTUAX-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CC[C@H]1CO[C@@H](C)C[NH2+]1 2650218 342979483 /nfs/dbraw/zinc/97/94/83/342979483.db2.gz MNGOCGNQLBTUAX-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CCCNC(=O)[C@H]1CCC[NH2+]1 2643986 342979503 /nfs/dbraw/zinc/97/95/03/342979503.db2.gz ITPBGPDKSKEXEA-SSDOTTSWSA-N 1 0 156.229 0.265 50 0 in-vitro ACAARO CCn1ccc([C@@H](C)[NH3+])n1 2732029 342979509 /nfs/dbraw/zinc/97/95/09/342979509.db2.gz CUFUZDIZPDUDPV-ZCFIWIBFSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CCCCNC(=O)NCC[NH+](C)C 2668862 342979591 /nfs/dbraw/zinc/97/95/91/342979591.db2.gz VLFSUUBWJQWJKY-UHFFFAOYSA-N 1 0 187.287 0.647 50 0 ACAARO CC[C@H]1CO[C@H](C)C[NH2+]1 2650220 342979678 /nfs/dbraw/zinc/97/96/78/342979678.db2.gz MNGOCGNQLBTUAX-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO C[N@H+](CCO)C[C@@H](O)c1ccccc1 2617493 342979680 /nfs/dbraw/zinc/97/96/80/342979680.db2.gz DTYODHRLIDBIOC-LLVKDONJSA-N 1 0 195.262 0.644 50 0 ACAARO C[N@H+](CCO)C[C@H](O)c1ccccc1 2617491 342979702 /nfs/dbraw/zinc/97/97/02/342979702.db2.gz DTYODHRLIDBIOC-NSHDSACASA-N 1 0 195.262 0.644 50 0 ACAARO CCn1nc(C)c(C[NH3+])c1C 2755764 342979883 /nfs/dbraw/zinc/97/98/83/342979883.db2.gz YTTHMHICPSKVKX-UHFFFAOYSA-N 1 0 153.229 0.979 50 0 in-vitro ACAARO C[C@H]1CC(=O)[C@H](C)C[NH2+]1 3099910 342980590 /nfs/dbraw/zinc/98/05/90/342980590.db2.gz KZAGJHDAWXVDQX-RITPCOANSA-N 1 0 127.187 0.573 50 0 ACAARO C[C@H]1CC(=O)[C@@H](C)C[NH2+]1 3099909 342980833 /nfs/dbraw/zinc/98/08/33/342980833.db2.gz KZAGJHDAWXVDQX-WDSKDSINSA-N 1 0 127.187 0.573 50 0 ACAARO C[NH+](C)C[C@H](O)COCc1ccco1 3126368 342981143 /nfs/dbraw/zinc/98/11/43/342981143.db2.gz SMBXJZFFUCGIIS-VIFPVBQESA-N 1 0 199.250 0.719 50 0 in-vitro ACAARO CC1=[NH+]CCCCN1 3124797 342981174 /nfs/dbraw/zinc/98/11/74/342981174.db2.gz YSMWZGUYANZCOM-UHFFFAOYSA-N 1 0 112.176 0.788 50 0 ACAARO CCCC[NH2+][C@H]1CCS(=O)(=O)C1 3163113 342981512 /nfs/dbraw/zinc/98/15/12/342981512.db2.gz DROVFJSAGGLUJN-QMMMGPOBSA-N 1 0 191.296 0.563 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCC1 3203426 342981721 /nfs/dbraw/zinc/98/17/21/342981721.db2.gz IHBAVXVTGLANPI-MRVPVSSYSA-N 1 0 170.256 0.592 50 0 ACAARO CCC(=O)NCC[NH+](C)C 3279398 342981727 /nfs/dbraw/zinc/98/17/27/342981727.db2.gz XZDYKCBCLMOUAX-UHFFFAOYSA-N 1 0 144.218 0.074 50 0 ACAARO C[NH2+]CC(=O)N1CCc2ccccc21 3296849 342981952 /nfs/dbraw/zinc/98/19/52/342981952.db2.gz NAZLXAXPCBAQJW-UHFFFAOYSA-N 1 0 190.246 0.795 50 0 ACAARO CC(C)OCCC[NH2+]CCC(N)=O 3384337 342982349 /nfs/dbraw/zinc/98/23/49/342982349.db2.gz QQVPRUQJEKRQNH-UHFFFAOYSA-N 1 0 188.271 0.267 50 0 ACAARO C[NH2+]CC(=O)Nc1cccc(F)c1 3298516 342982356 /nfs/dbraw/zinc/98/23/56/342982356.db2.gz RQKDJHXAPOJIDX-UHFFFAOYSA-N 1 0 182.198 0.984 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1ccc(F)cc1 3308069 342982466 /nfs/dbraw/zinc/98/24/66/342982466.db2.gz DCYVSTTZRRMADT-UHFFFAOYSA-N 1 0 182.198 0.984 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1c(C)n[nH]c1C 3336044 342982482 /nfs/dbraw/zinc/98/24/82/342982482.db2.gz APSNNLURPDUYPP-UHFFFAOYSA-N 1 0 182.227 0.184 50 0 in-vitro ACAARO CC(C)[NH+](CC(N)=O)C(C)C 3636404 342982773 /nfs/dbraw/zinc/98/27/73/342982773.db2.gz SFIFOOCUXZIENL-UHFFFAOYSA-N 1 0 158.245 0.591 50 0 ACAARO Cc1nc[nH]c1CC[NH3+] 3605034 342982834 /nfs/dbraw/zinc/98/28/34/342982834.db2.gz UGYXPZQILZRKJJ-UHFFFAOYSA-N 1 0 125.175 0.219 50 0 in-vitro ACAARO Cc1ncsc1CC[NH3+] 3631441 342982876 /nfs/dbraw/zinc/98/28/76/342982876.db2.gz TVAQJFUNSFVSGP-UHFFFAOYSA-N 1 0 142.227 0.953 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CS1 3609066 342982996 /nfs/dbraw/zinc/98/29/96/342982996.db2.gz WPSFOSFHXXIFDR-BYPYZUCNSA-N 1 0 103.190 0.669 50 0 ACAARO Cc1ccccc1N1CC(=O)[O+]=N1 3643024 342983405 /nfs/dbraw/zinc/98/34/05/342983405.db2.gz BPBGWPOHEYHTJC-UHFFFAOYSA-O 1 0 177.183 0.965 50 0 ACAARO CC[C@@H]([NH3+])[C@@H]1CCCCNC1=O 3683992 342983666 /nfs/dbraw/zinc/98/36/66/342983666.db2.gz CNVMPJJEJBSDPB-JGVFFNPUSA-N 1 0 170.256 0.640 50 0 ACAARO CC[C@@H]([NH3+])[C@H]1CCCCNC1=O 3683991 342983707 /nfs/dbraw/zinc/98/37/07/342983707.db2.gz CNVMPJJEJBSDPB-HTQZYQBOSA-N 1 0 170.256 0.640 50 0 ACAARO CC[C@H]([NH3+])[C@H]1CCCCNC1=O 3683990 342983769 /nfs/dbraw/zinc/98/37/69/342983769.db2.gz CNVMPJJEJBSDPB-SFYZADRCSA-N 1 0 170.256 0.640 50 0 ACAARO Cc1csc(C[NH3+])n1 3710557 342984105 /nfs/dbraw/zinc/98/41/05/342984105.db2.gz OJEGLCVIHVSMMR-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 in-vitro ACAARO Cc1cccnc1C[NH3+] 4202958 342988121 /nfs/dbraw/zinc/98/81/21/342988121.db2.gz QNLAYSBIWHHNIT-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO CC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 3866509 342985412 /nfs/dbraw/zinc/98/54/12/342985412.db2.gz IYMHRCANDIVXEC-YUMQZZPRSA-N 1 0 191.296 0.562 50 0 ACAARO C[C@H]([NH3+])Cc1c[nH]cn1 3872813 342985424 /nfs/dbraw/zinc/98/54/24/342985424.db2.gz XNQIOISZPFVUFG-YFKPBYRVSA-N 1 0 125.175 0.299 50 0 in-vitro ACAARO CCCC[NH2+][C@@H]1CCS(=O)(=O)C1 3865818 342985433 /nfs/dbraw/zinc/98/54/33/342985433.db2.gz DROVFJSAGGLUJN-MRVPVSSYSA-N 1 0 191.296 0.563 50 0 in-vitro ACAARO CC1(C)C[C@H]([NH3+])CCO1 3882005 342985740 /nfs/dbraw/zinc/98/57/40/342985740.db2.gz VXCNRARJXVLHLI-ZCFIWIBFSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC1(C)C[C@@H]([NH3+])CCO1 3882006 342985751 /nfs/dbraw/zinc/98/57/51/342985751.db2.gz VXCNRARJXVLHLI-LURJTMIESA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@H]1COC[C@H](C)[NH2+]1 3875938 342985852 /nfs/dbraw/zinc/98/58/52/342985852.db2.gz MDKHWJFKHDRFFZ-WDSKDSINSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO Cc1cc(C)c(C[NH3+])c(=O)[nH]1 3888524 342986084 /nfs/dbraw/zinc/98/60/84/342986084.db2.gz PCJPGNCABBDNJU-UHFFFAOYSA-N 1 0 152.197 0.450 50 0 in-vitro ACAARO C[C@H]1C(=O)CCN(CCO)[C@@H]1C 4127224 342987572 /nfs/dbraw/zinc/98/75/72/342987572.db2.gz QHAITLLROGOFFC-HTQZYQBOSA-N 1 0 171.240 0.278 50 0 ACAARO Cc1ccc(NC(=O)C[NH3+])cc1 4201697 342987852 /nfs/dbraw/zinc/98/78/52/342987852.db2.gz GLNSGCFQUWUWLB-UHFFFAOYSA-N 1 0 164.208 0.892 50 0 in-vitro ACAARO Cc1cccc(CC[NH3+])n1 4202821 342987966 /nfs/dbraw/zinc/98/79/66/342987966.db2.gz CDTHKXWPZVCHBX-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO CC[S@](=O)CCSC(N)=[NH2+] 4141710 342987990 /nfs/dbraw/zinc/98/79/90/342987990.db2.gz RIWFCINPQXOTCI-SNVBAGLBSA-N 1 0 180.298 0.382 50 0 ACAARO Cc1cccc(NC(=O)C[NH3+])c1 4201698 342987993 /nfs/dbraw/zinc/98/79/93/342987993.db2.gz RKUWYOYIEYJVPG-UHFFFAOYSA-N 1 0 164.208 0.892 50 0 in-vitro ACAARO Cc1cnccc1C[NH3+] 4202963 342988046 /nfs/dbraw/zinc/98/80/46/342988046.db2.gz DZMLSCJHELOPFT-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO CC[S@@](=O)CCSC(N)=[NH2+] 4141709 342988170 /nfs/dbraw/zinc/98/81/70/342988170.db2.gz RIWFCINPQXOTCI-JTQLQIEISA-N 1 0 180.298 0.382 50 0 ACAARO C[C@H]1C[C@H](O)[C@H](C)C[N@@H+]1C 4343751 342990936 /nfs/dbraw/zinc/99/09/36/342990936.db2.gz ZMPIXCGEZCZGGJ-CSMHCCOUSA-N 1 0 143.230 0.707 50 0 ACAARO C[NH2+]CC(=O)NC(C)(C)C 4206735 342988542 /nfs/dbraw/zinc/98/85/42/342988542.db2.gz PKKPXMPHLXGWQN-UHFFFAOYSA-N 1 0 144.218 0.121 50 0 in-vitro ACAARO CC1CCN(C(N)=[NH2+])CC1 4219215 342988785 /nfs/dbraw/zinc/98/87/85/342988785.db2.gz NIWNTTFADJMCIT-UHFFFAOYSA-N 1 0 141.218 0.612 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnc2ccccn12 4218761 342988863 /nfs/dbraw/zinc/98/88/63/342988863.db2.gz FQWYAIRHWCMQNP-LURJTMIESA-N 1 0 162.196 0.749 50 0 in-vitro ACAARO C[C@H]1CCCN(C(N)=[NH2+])C1 4219214 342988910 /nfs/dbraw/zinc/98/89/10/342988910.db2.gz MUIXBWMLQDSNIW-LURJTMIESA-N 1 0 141.218 0.612 50 0 ACAARO C[C@H](C[NH3+])n1ccnc1 4226807 342988913 /nfs/dbraw/zinc/98/89/13/342988913.db2.gz AQOYMXGHHZSHPY-ZCFIWIBFSA-N 1 0 125.175 0.403 50 0 ACAARO CC[C@@H]([NH3+])Cn1ccnc1 4226688 342988946 /nfs/dbraw/zinc/98/89/46/342988946.db2.gz RFXAODSVTNXOQO-SSDOTTSWSA-N 1 0 139.202 0.620 50 0 in-vitro ACAARO Cc1ccnn1CC[NH3+] 4226685 342988979 /nfs/dbraw/zinc/98/89/79/342988979.db2.gz PWGUGJCHHQGZGX-UHFFFAOYSA-N 1 0 125.175 0.150 50 0 ACAARO CC[C@H]([NH3+])Cn1ccnc1 4226687 342989062 /nfs/dbraw/zinc/98/90/62/342989062.db2.gz RFXAODSVTNXOQO-ZETCQYMHSA-N 1 0 139.202 0.620 50 0 in-vitro ACAARO CC(C)[NH2+]Cc1nccn1C 4243961 342989500 /nfs/dbraw/zinc/98/95/00/342989500.db2.gz MZGSWPKAQUZWCP-UHFFFAOYSA-N 1 0 153.229 0.918 50 0 in-vitro ACAARO Cc1n[nH]cc1CCC[NH3+] 4262642 342989966 /nfs/dbraw/zinc/98/99/66/342989966.db2.gz BYGCQGLHPCERCH-UHFFFAOYSA-N 1 0 139.202 0.609 50 0 in-vitro ACAARO CCC(=O)NCC1CC[NH2+]CC1 4312799 342990357 /nfs/dbraw/zinc/99/03/57/342990357.db2.gz NBXUARPGNMORQJ-UHFFFAOYSA-N 1 0 170.256 0.512 50 0 ACAARO C[C@H]([NH3+])c1ccon1 4299072 342990363 /nfs/dbraw/zinc/99/03/63/342990363.db2.gz UDFNSNRUEHXXNW-BYPYZUCNSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO Cc1nn(C)cc1C[NH3+] 4298950 342990526 /nfs/dbraw/zinc/99/05/26/342990526.db2.gz VERSVOWJFSHXSI-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 in-vitro ACAARO CCC(=O)NC[C@@H]1CCC[NH2+]C1 4312800 342990543 /nfs/dbraw/zinc/99/05/43/342990543.db2.gz ABUOKCYGDYMIBL-MRVPVSSYSA-N 1 0 170.256 0.512 50 0 ACAARO C[C@H]1[C@H](O)C[C@@H](C)C[N@H+]1C 4343862 342990917 /nfs/dbraw/zinc/99/09/17/342990917.db2.gz FYSXYJLZTKYTDU-GJMOJQLCSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@H]1[C@@H](O)C[C@@H](C)C[N@H+]1C 4343859 342990980 /nfs/dbraw/zinc/99/09/80/342990980.db2.gz FYSXYJLZTKYTDU-CSMHCCOUSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1C 4342481 342990989 /nfs/dbraw/zinc/99/09/89/342990989.db2.gz QVQFNUCLTKVBBY-RQJHMYQMSA-N 1 0 141.214 0.916 50 0 ACAARO Cc1cccc(OC[C@@H](O)C[NH3+])c1 4384450 342991306 /nfs/dbraw/zinc/99/13/06/342991306.db2.gz NUEKYLDQIOYNLD-VIFPVBQESA-N 1 0 181.235 0.693 50 0 ACAARO C[C@H]1CN(C)C(=[NH2+])S1 4466507 342991754 /nfs/dbraw/zinc/99/17/54/342991754.db2.gz VEWZXPAMIBRPDO-BYPYZUCNSA-N 1 0 130.216 0.988 50 0 ACAARO Cc1cc(C)[n+]2ncsc2n1 4424021 342991791 /nfs/dbraw/zinc/99/17/91/342991791.db2.gz MUVUBBPGOQRJEI-UHFFFAOYSA-N 1 0 166.229 0.894 50 0 ACAARO C[C@@]12CCC(=O)N1CCC[NH2+]2 4487298 342991897 /nfs/dbraw/zinc/99/18/97/342991897.db2.gz OEGYKKRPXVDQFK-QMMMGPOBSA-N 1 0 154.213 0.318 50 0 biogenic,in-vitro ACAARO Cc1cc(C)[n+]2c(C)nn(C)c2n1 4427437 342991910 /nfs/dbraw/zinc/99/19/10/342991910.db2.gz OALFVPZWFNNKPS-UHFFFAOYSA-N 1 0 177.231 0.479 50 0 ACAARO C[C@]12CCC(=O)N1CCC[NH2+]2 4487299 342992014 /nfs/dbraw/zinc/99/20/14/342992014.db2.gz OEGYKKRPXVDQFK-MRVPVSSYSA-N 1 0 154.213 0.318 50 0 biogenic,in-vitro ACAARO C[C@H]1[NH2+]CC[C@H](O)[C@@H]1C 4462420 342992049 /nfs/dbraw/zinc/99/20/49/342992049.db2.gz RSBKVKZYGJSCDI-QYNIQEEDSA-N 1 0 129.203 0.365 50 0 ACAARO Cc1ccn(C[C@@H](C)[NH3+])n1 4519995 342992483 /nfs/dbraw/zinc/99/24/83/342992483.db2.gz ISXYLDXKTNOIBN-ZCFIWIBFSA-N 1 0 139.202 0.539 50 0 ACAARO Cc1cc(C)n(C[C@@H](C)[NH3+])n1 4503359 342992498 /nfs/dbraw/zinc/99/24/98/342992498.db2.gz FODFRQFRJYJPSO-ZCFIWIBFSA-N 1 0 153.229 0.847 50 0 in-vitro ACAARO CCC[N@H+](CCO)CCCCCO 4578728 342993221 /nfs/dbraw/zinc/99/32/21/342993221.db2.gz XJBJEDGBRSPREH-UHFFFAOYSA-N 1 0 189.299 0.853 50 0 ACAARO CNC(=O)OCCC[n+]1ccn(C)c1 4671299 342993466 /nfs/dbraw/zinc/99/34/66/342993466.db2.gz ILGVJUAQVYIUKP-UHFFFAOYSA-O 1 0 198.246 0.059 50 0 ACAARO Cc1ccoc1C(=O)NCCC[NH3+] 4618952 342993536 /nfs/dbraw/zinc/99/35/36/342993536.db2.gz FSVZRKHUXDCFIY-UHFFFAOYSA-N 1 0 182.223 0.667 50 0 in-vitro ACAARO Cc1ccoc1C(=O)NCC[NH3+] 4618951 342993607 /nfs/dbraw/zinc/99/36/07/342993607.db2.gz GHNBGXZQJWUPOG-UHFFFAOYSA-N 1 0 168.196 0.277 50 0 ACAARO CCC[N@@H+]1CCC[C@H](C(N)=O)C1 4698328 342993887 /nfs/dbraw/zinc/99/38/87/342993887.db2.gz UYRCHWMOBMMMGD-QMMMGPOBSA-N 1 0 170.256 0.594 50 0 ACAARO CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 4698329 342994028 /nfs/dbraw/zinc/99/40/28/342994028.db2.gz UYRCHWMOBMMMGD-MRVPVSSYSA-N 1 0 170.256 0.594 50 0 ACAARO C[N@@H+]1CC[C@H](O)[C@H]2CCC[C@@H]21 4717585 342994380 /nfs/dbraw/zinc/99/43/80/342994380.db2.gz SYOFKZCZCYMACF-CIUDSAMLSA-N 1 0 155.241 0.852 50 0 ACAARO C[N@@H+]1CC[C@@H](O)[C@H]2CCC[C@@H]21 4717587 342994394 /nfs/dbraw/zinc/99/43/94/342994394.db2.gz SYOFKZCZCYMACF-XHNCKOQMSA-N 1 0 155.241 0.852 50 0 ACAARO CC1(C)OC[C@H](C[NH3+])O1 4716345 342994421 /nfs/dbraw/zinc/99/44/21/342994421.db2.gz HXOYWCSTHVTLOW-YFKPBYRVSA-N 1 0 131.175 0.097 50 0 ACAARO Cc1ncc(C[NH3+])c(C)c1N 4730210 342994454 /nfs/dbraw/zinc/99/44/54/342994454.db2.gz BTUNPRJRMIKPAP-UHFFFAOYSA-N 1 0 151.213 0.739 50 0 ACAARO Cc1c[nH+]ccc1N 4721887 342994639 /nfs/dbraw/zinc/99/46/39/342994639.db2.gz VGJLGPCXUGIXRQ-UHFFFAOYSA-N 1 0 108.144 0.972 50 0 in-vitro ACAARO C[NH2+]CC(=O)N(C)c1ccccc1 4716575 342994680 /nfs/dbraw/zinc/99/46/80/342994680.db2.gz DZKZFVGOOQAYKH-UHFFFAOYSA-N 1 0 178.235 0.869 50 0 in-vitro ACAARO C[NH2+]CC(=O)N1CCCCC1 4716574 342994695 /nfs/dbraw/zinc/99/46/95/342994695.db2.gz PYBDYFQWBAYWHD-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCc2nc[nH]c21 4771514 342995415 /nfs/dbraw/zinc/99/54/15/342995415.db2.gz GJMRGFIGPFVORV-RXMQYKEDSA-N 1 0 137.186 0.616 50 0 in-vitro ACAARO C[C@H]1[C@H](O)C2CC[NH+]1CC2 4787688 342995645 /nfs/dbraw/zinc/99/56/45/342995645.db2.gz VLJPCCPJHQAAQB-XPUUQOCRSA-N 1 0 141.214 0.461 50 0 ACAARO CC(C)[NH+]1CC(O)C1 4798880 342995735 /nfs/dbraw/zinc/99/57/35/342995735.db2.gz XSGMJDQRZDWEPW-UHFFFAOYSA-N 1 0 115.176 0.071 50 0 in-vitro ACAARO C[NH+](C)[C@H](CO)[C@@H](O)c1ccccc1 4823989 342996110 /nfs/dbraw/zinc/99/61/10/342996110.db2.gz UMSLXKMPZZNDCQ-MNOVXSKESA-N 1 0 195.262 0.643 50 0 ACAARO C[NH+](C)[C@@H](CO)[C@H](O)c1ccccc1 4823956 342996219 /nfs/dbraw/zinc/99/62/19/342996219.db2.gz UMSLXKMPZZNDCQ-WDEREUQCSA-N 1 0 195.262 0.643 50 0 ACAARO C[NH+](C)[C@@H](CO)[C@@H](O)c1ccccc1 4823977 342996287 /nfs/dbraw/zinc/99/62/87/342996287.db2.gz UMSLXKMPZZNDCQ-QWRGUYRKSA-N 1 0 195.262 0.643 50 0 ACAARO CC1(C)OC[C@@H](C[NH3+])O1 4978347 342997366 /nfs/dbraw/zinc/99/73/66/342997366.db2.gz HXOYWCSTHVTLOW-RXMQYKEDSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO C[C@@]12CCC(=O)N1CCCC[NH2+]2 4975422 342997442 /nfs/dbraw/zinc/99/74/42/342997442.db2.gz XUEKMUYLXWGPOY-VIFPVBQESA-N 1 0 168.240 0.708 50 0 ACAARO C[C@]12CCC(=O)N1CCCC[NH2+]2 4975424 342997541 /nfs/dbraw/zinc/99/75/41/342997541.db2.gz XUEKMUYLXWGPOY-SECBINFHSA-N 1 0 168.240 0.708 50 0 ACAARO Cc1ccn(CC[NH3+])n1 4992577 342997810 /nfs/dbraw/zinc/99/78/10/342997810.db2.gz UMRSLQAZFZWQKA-UHFFFAOYSA-N 1 0 125.175 0.150 50 0 ACAARO Cc1nc(C)n([C@@H](C)C[NH3+])n1 4992784 342997847 /nfs/dbraw/zinc/99/78/47/342997847.db2.gz HCTDXIKGAHOKHC-YFKPBYRVSA-N 1 0 154.217 0.415 50 0 ACAARO Cc1cc(C[NH3+])[nH]n1 4992728 342997857 /nfs/dbraw/zinc/99/78/57/342997857.db2.gz JDYUVIGEKYZHLK-UHFFFAOYSA-N 1 0 111.148 0.177 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1CCC[NH3+] 4992773 342997872 /nfs/dbraw/zinc/99/78/72/342997872.db2.gz YOGPVQTVMDIBCK-UHFFFAOYSA-N 1 0 167.256 0.928 50 0 in-vitro ACAARO Cc1nc(C)n([C@H](C)C[NH3+])n1 4992785 342997953 /nfs/dbraw/zinc/99/79/53/342997953.db2.gz HCTDXIKGAHOKHC-RXMQYKEDSA-N 1 0 154.217 0.415 50 0 ACAARO Cc1nn(CC[NH3+])c(C)c1C 4992782 342997988 /nfs/dbraw/zinc/99/79/88/342997988.db2.gz LZVMGQKKGYOOEM-UHFFFAOYSA-N 1 0 153.229 0.767 50 0 in-vitro ACAARO CO[C@@H]1CC[C@@H]2[NH+]=C(N)S[C@@H]2C1 5022488 342998273 /nfs/dbraw/zinc/99/82/73/342998273.db2.gz OLNCYHQZQCNBQH-DSYKOEDSSA-N 1 0 186.280 0.984 50 0 ACAARO CO[C@@H]1CC[C@H]2[NH+]=C(N)S[C@@H]2C1 5022481 342998330 /nfs/dbraw/zinc/99/83/30/342998330.db2.gz OLNCYHQZQCNBQH-FSDSQADBSA-N 1 0 186.280 0.984 50 0 ACAARO CNC1=[NH+]CCCC1 5158898 342998969 /nfs/dbraw/zinc/99/89/69/342998969.db2.gz COYBWDBKVQRBJX-UHFFFAOYSA-N 1 0 112.176 0.788 50 0 in-vitro ACAARO Cc1nc(CC[NH3+])cs1 5175393 342999482 /nfs/dbraw/zinc/99/94/82/342999482.db2.gz GLEZGSKBHYTSAD-UHFFFAOYSA-N 1 0 142.227 0.953 50 0 in-vitro ACAARO C[C@H]1C[NH2+][C@H](C)CC1=O 5353319 343001588 /nfs/dbraw/zinc/00/15/88/343001588.db2.gz KZAGJHDAWXVDQX-NTSWFWBYSA-N 1 0 127.187 0.573 50 0 ACAARO CC(C)[NH+]1CCC(O)CC1 5442056 343002626 /nfs/dbraw/zinc/00/26/26/343002626.db2.gz UZRXHHMTKCJKTQ-UHFFFAOYSA-N 1 0 143.230 0.852 50 0 in-vitro ACAARO CC(C)[NH2+]C[C@@H](C)O 5455503 343003080 /nfs/dbraw/zinc/00/30/80/343003080.db2.gz RNFDZDMIFOFNMC-ZCFIWIBFSA-N 1 0 117.192 0.365 50 0 in-vitro ACAARO CC(CO)(CO)[NH2+]Cc1ccccc1 5458833 343003090 /nfs/dbraw/zinc/00/30/90/343003090.db2.gz KKZVNNFFJBMXGC-UHFFFAOYSA-N 1 0 195.262 0.520 50 0 ACAARO C[NH+](C)CCNC(=O)c1ccccc1 5509025 343004178 /nfs/dbraw/zinc/00/41/78/343004178.db2.gz LBZUJSQLLVDWDQ-UHFFFAOYSA-N 1 0 192.262 0.978 50 0 ACAARO CNC1=[NH+]CCS1 5517100 343004270 /nfs/dbraw/zinc/00/42/70/343004270.db2.gz KOFXNMVSVWDBKN-UHFFFAOYSA-N 1 0 116.189 0.309 50 0 in-vitro ACAARO Cc1n[nH]cc1C[NH3+] 5625813 343005642 /nfs/dbraw/zinc/00/56/42/343005642.db2.gz YPBTTWVBPFEPBE-UHFFFAOYSA-N 1 0 111.148 0.177 50 0 in-vitro ACAARO C[C@H]1CCCC[N@@H+]1CC(N)=O 5675879 343006298 /nfs/dbraw/zinc/00/62/98/343006298.db2.gz APOFMXCNXQMJNH-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO C[NH2+]CCSC 5741665 343007238 /nfs/dbraw/zinc/00/72/38/343007238.db2.gz RBEQDVAYBZLKRS-UHFFFAOYSA-N 1 0 105.206 0.569 50 0 in-vitro ACAARO CC1=[NH+]CCCN1C 5824479 343009070 /nfs/dbraw/zinc/00/90/70/343009070.db2.gz ZFDWWDZLRKHULH-UHFFFAOYSA-N 1 0 112.176 0.740 50 0 ACAARO CC[C@H]([NH3+])COC 5923017 343009420 /nfs/dbraw/zinc/00/94/20/343009420.db2.gz QAFODUGVXFNLBE-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 ACAARO C[NH2+]CCC(=O)N1CCCC1 5914150 343009775 /nfs/dbraw/zinc/00/97/75/343009775.db2.gz JULDFZJMONRCBR-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 ACAARO C[N@H+]1CC=C(CO)CC1 5966256 343010836 /nfs/dbraw/zinc/01/08/36/343010836.db2.gz XCZCVUOQSMDKQW-UHFFFAOYSA-N 1 0 127.187 0.241 50 0 in-vitro ACAARO C[NH+](C)[C@@H]1CCC[C@H]1O 5965141 343010941 /nfs/dbraw/zinc/01/09/41/343010941.db2.gz RXMKVUFGNZHQEE-RNFRBKRXSA-N 1 0 129.203 0.461 50 0 in-vitro ACAARO C[C@H]([NH3+])CCCO 6020575 343011058 /nfs/dbraw/zinc/01/10/58/343011058.db2.gz JAXJUENAJXWFBX-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO C[C@H](CO)C[NH+](C)C 6020698 343011074 /nfs/dbraw/zinc/01/10/74/343011074.db2.gz FZASHPCRPMSFEG-LURJTMIESA-N 1 0 117.192 0.176 50 0 in-vitro ACAARO C[C@]1(C[NH3+])CCCO1 6032068 343011518 /nfs/dbraw/zinc/01/15/18/343011518.db2.gz DLKKHCBCEHVVFW-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO C[C@@]1(C[NH3+])CCCO1 6067294 343011965 /nfs/dbraw/zinc/01/19/65/343011965.db2.gz DLKKHCBCEHVVFW-LURJTMIESA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO C[n+]1ccccc1F 6068528 343012285 /nfs/dbraw/zinc/01/22/85/343012285.db2.gz JWKARZDECJVQDJ-UHFFFAOYSA-N 1 0 112.127 0.650 50 0 in-vitro ACAARO Cc1ccc(N)[nH+]c1N 6071281 343012378 /nfs/dbraw/zinc/01/23/78/343012378.db2.gz XKDZQCLCLGOJHN-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 ACAARO CCn1cc(C[NH2+]C)cn1 6125786 343012741 /nfs/dbraw/zinc/01/27/41/343012741.db2.gz LNLBAJDAQVQFBD-UHFFFAOYSA-N 1 0 139.202 0.622 50 0 in-vitro ACAARO [NH2+]=c1c[n+](CCc2ccccc2)[n-]o1 6223036 343013084 /nfs/dbraw/zinc/01/30/84/343013084.db2.gz NXCMSRCNEXDURD-UHFFFAOYSA-N 1 0 190.226 0.617 50 0 ACAARO Cc1cccc(C(=O)NCC[NH3+])c1 6216778 343013123 /nfs/dbraw/zinc/01/31/23/343013123.db2.gz DFZWITBKVUVDLR-UHFFFAOYSA-N 1 0 178.235 0.684 50 0 in-vitro ACAARO C[NH+](C)CC1CC1 6226409 343013141 /nfs/dbraw/zinc/01/31/41/343013141.db2.gz DQVRGSIXUGZCOV-UHFFFAOYSA-N 1 0 99.177 0.958 50 0 ACAARO CC[n+]1c(N)nn2c(C)cc(C)nc21 6224941 343013142 /nfs/dbraw/zinc/01/31/42/343013142.db2.gz YRINRVJYLUJTDY-UHFFFAOYSA-N 1 0 192.246 0.236 50 0 ACAARO C[n+]1[n-]oc(=[NH2+])c1-c1ccccc1 6184075 343013152 /nfs/dbraw/zinc/01/31/52/343013152.db2.gz PZEYDMFVCGNTAZ-UHFFFAOYSA-N 1 0 176.199 0.579 50 0 ACAARO Cc1nc(C[NH3+])cs1 6319389 343013610 /nfs/dbraw/zinc/01/36/10/343013610.db2.gz ZCKAEFOHSOQKHN-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 in-vitro ACAARO Cc1nn(C)cc1C[C@H](C)[NH3+] 6254759 343013626 /nfs/dbraw/zinc/01/36/26/343013626.db2.gz SWADLRHZKGODQE-LURJTMIESA-N 1 0 153.229 0.618 50 0 ACAARO C[NH+](C)[C@@H]1CCCC1=O 6374910 343014035 /nfs/dbraw/zinc/01/40/35/343014035.db2.gz CMRKAVCMNZXAHC-ZCFIWIBFSA-N 1 0 127.187 0.670 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)Nc1ccccc1 6425593 343014283 /nfs/dbraw/zinc/01/42/83/343014283.db2.gz RUBYQYMLYZMHQR-ZETCQYMHSA-N 1 0 164.208 0.972 50 0 in-vitro ACAARO Cc1[nH]c(=O)[nH]c1C[NH+]1CCCCC1 6529605 343014975 /nfs/dbraw/zinc/01/49/75/343014975.db2.gz YAHPANWWMGNVFI-UHFFFAOYSA-N 1 0 195.266 0.997 50 0 ACAARO Cc1ccc([C@@H]([NH3+])CO)cc1 6658341 343015511 /nfs/dbraw/zinc/01/55/11/343015511.db2.gz JTEURNIHEPFUIJ-VIFPVBQESA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO C[NH2+]CCNC(=O)OC(C)(C)C 6615295 343015635 /nfs/dbraw/zinc/01/56/35/343015635.db2.gz GKWGBMHXVRSFRT-UHFFFAOYSA-N 1 0 174.244 0.731 50 0 in-vitro ACAARO CNC(=[NH2+])SC 6590260 343015642 /nfs/dbraw/zinc/01/56/42/343015642.db2.gz MVEAMNWCFZZFCL-UHFFFAOYSA-N 1 0 104.178 0.504 50 0 in-vitro ACAARO CC1CC[NH+](CC(=O)NC2CC2)CC1 6698967 343015922 /nfs/dbraw/zinc/01/59/22/343015922.db2.gz IIGAHPUAKXYQRJ-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO C[C@H]([NH3+])COC[C@@H]1CCCO1 6678395 343015988 /nfs/dbraw/zinc/01/59/88/343015988.db2.gz LLSWRLZOQCLMJS-YUMQZZPRSA-N 1 0 159.229 0.529 50 0 ACAARO Cc1ccc(NN)[nH+]c1 6755403 343016393 /nfs/dbraw/zinc/01/63/93/343016393.db2.gz PNVWNMCAGZBUNK-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 in-vitro ACAARO CC[C@@H](CO)[NH2+]Cc1ccccn1 6870737 343016748 /nfs/dbraw/zinc/01/67/48/343016748.db2.gz FWMIVMPEGRQSPH-VIFPVBQESA-N 1 0 180.251 0.942 50 0 ACAARO CC[C@H](CO)[NH2+]Cc1ccccn1 6870798 343016752 /nfs/dbraw/zinc/01/67/52/343016752.db2.gz FWMIVMPEGRQSPH-SECBINFHSA-N 1 0 180.251 0.942 50 0 ACAARO C[C@H](O)C[NH2+]Cc1ccco1 7519367 343017306 /nfs/dbraw/zinc/01/73/06/343017306.db2.gz SKRWCKYQKDQMAN-ZETCQYMHSA-N 1 0 155.197 0.750 50 0 ACAARO C[NH2+]CC(=O)Nc1cc(C)on1 7779433 343017611 /nfs/dbraw/zinc/01/76/11/343017611.db2.gz GMVTWHPJADCECN-UHFFFAOYSA-N 1 0 169.184 0.141 50 0 in-vitro ACAARO Cc1cc(C(=O)NCC[NH+](C)C)no1 7871595 343017845 /nfs/dbraw/zinc/01/78/45/343017845.db2.gz KOJLAWJGLNTWHG-UHFFFAOYSA-N 1 0 197.238 0.274 50 0 ACAARO Cc1cc(C)n2c(C[NH3+])nnc2n1 7784466 343017865 /nfs/dbraw/zinc/01/78/65/343017865.db2.gz QJMKHTZNIRJOKK-UHFFFAOYSA-N 1 0 177.211 0.200 50 0 ACAARO C[NH2+]CCCNCc1ccco1 8377281 343018165 /nfs/dbraw/zinc/01/81/65/343018165.db2.gz UMHYXINJULRVDH-UHFFFAOYSA-N 1 0 168.240 0.979 50 0 ACAARO CNC1=[NH+]C[C@H](C)S1 8298841 343018217 /nfs/dbraw/zinc/01/82/17/343018217.db2.gz RMUKYRGITOHRGW-BYPYZUCNSA-N 1 0 130.216 0.697 50 0 in-vitro ACAARO CNC1=[NH+]C[C@@H](C)S1 8241866 343018294 /nfs/dbraw/zinc/01/82/94/343018294.db2.gz RMUKYRGITOHRGW-SCSAIBSYSA-N 1 0 130.216 0.697 50 0 in-vitro ACAARO Cc1[nH]cc[nH+]1 8283844 343018295 /nfs/dbraw/zinc/01/82/95/343018295.db2.gz LXBGSDVWAMZHDD-UHFFFAOYSA-N 1 0 82.106 0.718 50 0 in-vitro ACAARO Cc1ccc[n+](C)c1F 8320639 343018350 /nfs/dbraw/zinc/01/83/50/343018350.db2.gz NEJGGZOPNFZQHP-UHFFFAOYSA-N 1 0 126.154 0.959 50 0 ACAARO CC1=CC(C)(C)NC(=[NH2+])N1 8659515 343019571 /nfs/dbraw/zinc/01/95/71/343019571.db2.gz BPAJEVCTCJTYKP-UHFFFAOYSA-N 1 0 139.202 0.587 50 0 ACAARO C[NH2+]CCc1c(C)nn(C)c1C 8733280 343020815 /nfs/dbraw/zinc/02/08/15/343020815.db2.gz UWAUQJYALKHJGH-UHFFFAOYSA-N 1 0 167.256 0.799 50 0 ACAARO Cc1cc(CC[NH3+])[nH]n1 9009205 343021021 /nfs/dbraw/zinc/02/10/21/343021021.db2.gz TXHATVNPKQCJMW-UHFFFAOYSA-N 1 0 125.175 0.219 50 0 in-vitro ACAARO C[C@H](C(N)=O)[NH+]1CCCCCC1 9051328 343021050 /nfs/dbraw/zinc/02/10/50/343021050.db2.gz VIZKWUMQPUMZJZ-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO CC(C)[NH2+][C@@H]1CCS(=O)(=O)C1 8803677 343021085 /nfs/dbraw/zinc/02/10/85/343021085.db2.gz KWEAOWRIBUGWDC-SSDOTTSWSA-N 1 0 177.269 0.172 50 0 ACAARO CC(C)[NH2+][C@H]1CCS(=O)(=O)C1 8803678 343021268 /nfs/dbraw/zinc/02/12/68/343021268.db2.gz KWEAOWRIBUGWDC-ZETCQYMHSA-N 1 0 177.269 0.172 50 0 ACAARO CCn1c[n+](C(C)(C)C)nn1 9434379 343021456 /nfs/dbraw/zinc/02/14/56/343021456.db2.gz BBMMLYNHMFGLCB-UHFFFAOYSA-N 1 0 155.225 0.341 50 0 ACAARO Cc1noc(C)c1C[NH3+] 9418443 343021508 /nfs/dbraw/zinc/02/15/08/343021508.db2.gz CXRIJWLNQSZJTG-UHFFFAOYSA-N 1 0 126.159 0.750 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1C[NH2+]CCO 9286900 343021578 /nfs/dbraw/zinc/02/15/78/343021578.db2.gz OVMWNXWEEXGYLR-UHFFFAOYSA-N 1 0 183.255 0.119 50 0 ACAARO Cc1n[nH]c(C)c1CCC[NH3+] 9694729 343021662 /nfs/dbraw/zinc/02/16/62/343021662.db2.gz LCGYDKLNJOBMBD-UHFFFAOYSA-N 1 0 153.229 0.918 50 0 in-vitro ACAARO Cc1cc[nH+]c(NN)c1 11567887 343022576 /nfs/dbraw/zinc/02/25/76/343022576.db2.gz FNFPJUDYICAQSZ-UHFFFAOYSA-N 1 0 123.159 0.676 50 0 in-vitro ACAARO Cc1ccc(NN)[nH+]n1 11567889 343022528 /nfs/dbraw/zinc/02/25/28/343022528.db2.gz FIEDFVRFAQARPW-UHFFFAOYSA-N 1 0 124.147 0.071 50 0 in-vitro ACAARO C[C@H](CO)[N@@H+]1Cc2cccc(N)c2C1 11730936 343024000 /nfs/dbraw/zinc/02/40/00/343024000.db2.gz HZDIFBMUSWOJHD-MRVPVSSYSA-N 1 0 192.262 0.965 50 0 in-vitro ACAARO Cc1cc(C)nc(C[NH3+])n1 15635402 343042168 /nfs/dbraw/zinc/04/21/68/343042168.db2.gz JBZOSEGGQJXUQN-UHFFFAOYSA-N 1 0 137.186 0.552 50 0 in-vitro ACAARO CC(C)NC(=O)[C@@H]1CCC[NH2+]1 11754362 343024450 /nfs/dbraw/zinc/02/44/50/343024450.db2.gz AUACPLOGXSJUHE-ZETCQYMHSA-N 1 0 156.229 0.263 50 0 in-vitro ACAARO Cc1ncc(C[NH3+])s1 11760517 343024455 /nfs/dbraw/zinc/02/44/55/343024455.db2.gz XYRSJQNUWZHRBX-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 ACAARO CN(C(=O)CC[NH3+])c1ccccc1 11755160 343024475 /nfs/dbraw/zinc/02/44/75/343024475.db2.gz DVBJRCJZHINEGR-UHFFFAOYSA-N 1 0 178.235 0.998 50 0 ACAARO CC[C@](C)(O)C[NH3+] 11755848 343024539 /nfs/dbraw/zinc/02/45/39/343024539.db2.gz LHYVEOGDJNQNEW-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CCCCNC(=O)CC[NH3+] 11755112 343024543 /nfs/dbraw/zinc/02/45/43/343024543.db2.gz KCLTWWKMEKVSQT-UHFFFAOYSA-N 1 0 144.218 0.252 50 0 ACAARO CC[C@@](C)(O)C[NH3+] 11755847 343024559 /nfs/dbraw/zinc/02/45/59/343024559.db2.gz LHYVEOGDJNQNEW-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO C[C@H](C[NH3+])Cn1ccnc1 11735102 343024560 /nfs/dbraw/zinc/02/45/60/343024560.db2.gz LFIAHNVTEYHKAO-SSDOTTSWSA-N 1 0 139.202 0.478 50 0 in-vitro ACAARO CN(Cc1ccccc1)C(=O)CC[NH3+] 11755129 343024603 /nfs/dbraw/zinc/02/46/03/343024603.db2.gz WCDCXEADXDPSLB-UHFFFAOYSA-N 1 0 192.262 0.994 50 0 ACAARO CC1CCC(O)(C[NH3+])CC1 11755850 343024605 /nfs/dbraw/zinc/02/46/05/343024605.db2.gz RJQBUUHZMHXGEM-UHFFFAOYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO CCC(O)(CC)C[NH3+] 11755849 343024675 /nfs/dbraw/zinc/02/46/75/343024675.db2.gz OFAPYHPFMXHSQJ-UHFFFAOYSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO Cc1nccn1C[C@@H](C)C[NH3+] 11735103 343024685 /nfs/dbraw/zinc/02/46/85/343024685.db2.gz MSJBNKMUDXAGCS-ZETCQYMHSA-N 1 0 153.229 0.786 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])c1ccc(F)cc1 11803529 343025021 /nfs/dbraw/zinc/02/50/21/343025021.db2.gz TWYWVSYPVSKZOE-VIFPVBQESA-N 1 0 169.199 0.992 50 0 in-vitro ACAARO C[C@H](C[NH3+])Cn1cccn1 11804687 343025023 /nfs/dbraw/zinc/02/50/23/343025023.db2.gz ALKBHLMMLZCTGN-SSDOTTSWSA-N 1 0 139.202 0.478 50 0 in-vitro ACAARO CN(C)c1ccc(NC(=O)C[NH3+])cc1 11805415 343025028 /nfs/dbraw/zinc/02/50/28/343025028.db2.gz CQGRHQSXWPFMRQ-UHFFFAOYSA-N 1 0 193.250 0.650 50 0 ACAARO Cc1cccc([C@@H](O)C[NH3+])c1 11802858 343025040 /nfs/dbraw/zinc/02/50/40/343025040.db2.gz RMZOTKNVCPHART-VIFPVBQESA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)NCc1cccnc1 11805430 343025065 /nfs/dbraw/zinc/02/50/65/343025065.db2.gz IKIVQZDQGMUJMN-ZETCQYMHSA-N 1 0 179.223 0.045 50 0 ACAARO C[C@](O)(C[NH3+])c1cccs1 11803496 343025105 /nfs/dbraw/zinc/02/51/05/343025105.db2.gz ZJJKSRKFQJJIKJ-ZETCQYMHSA-N 1 0 157.238 0.914 50 0 in-vitro ACAARO Cc1cccc(NC(=O)CC[NH3+])n1 11805380 343025138 /nfs/dbraw/zinc/02/51/38/343025138.db2.gz YWJXVJLAWFNQDZ-UHFFFAOYSA-N 1 0 179.223 0.677 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)NCc1ccccn1 11805429 343025144 /nfs/dbraw/zinc/02/51/44/343025144.db2.gz IKOUXGMVYDTHPG-ZETCQYMHSA-N 1 0 179.223 0.045 50 0 ACAARO Cc1cccc([C@H](O)C[NH3+])c1 11802860 343025206 /nfs/dbraw/zinc/02/52/06/343025206.db2.gz RMZOTKNVCPHART-SECBINFHSA-N 1 0 151.209 0.987 50 0 in-vitro ACAARO Cc1cc(NC(=O)[C@H](C)[NH3+])no1 11848937 343025461 /nfs/dbraw/zinc/02/54/61/343025461.db2.gz GHCRBAKJGUIRKI-YFKPBYRVSA-N 1 0 169.184 0.269 50 0 ACAARO C[C@H]([NH3+])[C@@H](C)n1cccn1 11848808 343025476 /nfs/dbraw/zinc/02/54/76/343025476.db2.gz JUJSJFUYRXZKCK-NKWVEPMBSA-N 1 0 139.202 0.791 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nccn1C 11848550 343025494 /nfs/dbraw/zinc/02/54/94/343025494.db2.gz ADIMIJGUVBPQPB-YFKPBYRVSA-N 1 0 125.175 0.440 50 0 in-vitro ACAARO Cc1cnc(CC[NH3+])s1 11848936 343025592 /nfs/dbraw/zinc/02/55/92/343025592.db2.gz OHKVIMXWAPLQHP-UHFFFAOYSA-N 1 0 142.227 0.953 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])Cn1ccnc1 11848863 343025692 /nfs/dbraw/zinc/02/56/92/343025692.db2.gz WTLWICNVCQQXTL-QMMMGPOBSA-N 1 0 153.229 0.866 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H](C)n1cccn1 11848810 343025729 /nfs/dbraw/zinc/02/57/29/343025729.db2.gz JUJSJFUYRXZKCK-BQBZGAKWSA-N 1 0 139.202 0.791 50 0 in-vitro ACAARO Cc1cnc(C[NH3+])s1 11886713 343025941 /nfs/dbraw/zinc/02/59/41/343025941.db2.gz TUYMMINBICVBSC-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 in-vitro ACAARO CC(C)[N@@H+]1CC[C@H](CO)C1 11892475 343026494 /nfs/dbraw/zinc/02/64/94/343026494.db2.gz AAHDGWGNYJVYMG-QMMMGPOBSA-N 1 0 143.230 0.709 50 0 in-vitro ACAARO CCC[N@@H+]1CC[C@@H](CO)C1 11892464 343026591 /nfs/dbraw/zinc/02/65/91/343026591.db2.gz RJAJCQKKDKQAEN-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC(C)[N@@H+]1CC[C@@H](CO)C1 11892471 343026733 /nfs/dbraw/zinc/02/67/33/343026733.db2.gz AAHDGWGNYJVYMG-MRVPVSSYSA-N 1 0 143.230 0.709 50 0 in-vitro ACAARO CCC[N@@H+]1CC[C@H](CO)C1 11892468 343026851 /nfs/dbraw/zinc/02/68/51/343026851.db2.gz RJAJCQKKDKQAEN-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO C[C@H](C[NH3+])S(=O)(=O)c1ccccc1 11896478 343026869 /nfs/dbraw/zinc/02/68/69/343026869.db2.gz NCYLYTBRCYZHLL-MRVPVSSYSA-N 1 0 199.275 0.808 50 0 ACAARO CCn1ccnc1N1CC[NH2+]CC1 11920169 343026884 /nfs/dbraw/zinc/02/68/84/343026884.db2.gz FNDOFBMZGIXLJV-UHFFFAOYSA-N 1 0 180.255 0.313 50 0 ACAARO CN(Cc1ccccc1)C(=O)C[NH3+] 11956667 343026972 /nfs/dbraw/zinc/02/69/72/343026972.db2.gz QWWIKWIQIRVSIC-UHFFFAOYSA-N 1 0 178.235 0.604 50 0 in-vitro ACAARO CC1CCN(C(=O)C[NH3+])CC1 11956609 343027124 /nfs/dbraw/zinc/02/71/24/343027124.db2.gz UGEHAXKIDKBCTK-UHFFFAOYSA-N 1 0 156.229 0.204 50 0 ACAARO CC1=NCCN1C(=O)[C@@H]([NH3+])CC(C)C 11954327 343027156 /nfs/dbraw/zinc/02/71/56/343027156.db2.gz NIYRYORRKAIJGI-VIFPVBQESA-N 1 0 197.282 0.620 50 0 ACAARO C[C@H]1COCC(C)(C)[NH2+]1 11950148 343027163 /nfs/dbraw/zinc/02/71/63/343027163.db2.gz AGPVNWQUXQKCQJ-LURJTMIESA-N 1 0 129.203 0.773 50 0 ACAARO CN(C(=O)C[NH3+])c1ccccc1 11956816 343027185 /nfs/dbraw/zinc/02/71/85/343027185.db2.gz RXBFSGCVJMHEIV-UHFFFAOYSA-N 1 0 164.208 0.608 50 0 in-vitro ACAARO CC[C@@]1(C)COCC[NH2+]1 11950173 343027197 /nfs/dbraw/zinc/02/71/97/343027197.db2.gz XESSAGYMZVFWNO-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C(C)(C)CO1 11950131 343027217 /nfs/dbraw/zinc/02/72/17/343027217.db2.gz HNEUNOOQVVWQNF-LURJTMIESA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)no1 11954507 343027282 /nfs/dbraw/zinc/02/72/82/343027282.db2.gz UIGPRWJWHDGCIB-ZETCQYMHSA-N 1 0 195.222 0.674 50 0 ACAARO CC[C@]1(C)COCC[NH2+]1 11950178 343027357 /nfs/dbraw/zinc/02/73/57/343027357.db2.gz XESSAGYMZVFWNO-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCCCN(C)C(=O)C[NH3+] 11957128 343027397 /nfs/dbraw/zinc/02/73/97/343027397.db2.gz QCWRFNBRPCTXCT-UHFFFAOYSA-N 1 0 144.218 0.204 50 0 ACAARO CCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC 11959169 343027507 /nfs/dbraw/zinc/02/75/07/343027507.db2.gz HTYIIBJDYXOJTP-YUMQZZPRSA-N 1 0 172.272 0.886 50 0 ACAARO CCCNC(=O)[C@@H]([NH3+])C(C)C 11958243 343027575 /nfs/dbraw/zinc/02/75/75/343027575.db2.gz ZJBQYKNGNZERTC-ZETCQYMHSA-N 1 0 158.245 0.496 50 0 ACAARO C[C@H]([NH3+])C(=O)NC(C)(C)C 11957980 343027619 /nfs/dbraw/zinc/02/76/19/343027619.db2.gz GFAYBPQOURTWMC-YFKPBYRVSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1CCc2ccccc21 11957590 343027629 /nfs/dbraw/zinc/02/76/29/343027629.db2.gz XZHRLYUEEHDTFI-QMMMGPOBSA-N 1 0 190.246 0.923 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])C(=O)N1CCCCC1 11958279 343027651 /nfs/dbraw/zinc/02/76/51/343027651.db2.gz SZPYGVGYDZCXEX-VIFPVBQESA-N 1 0 184.283 0.982 50 0 ACAARO C[C@H]([NH3+])C(=O)NC1CCCC1 11957334 343027665 /nfs/dbraw/zinc/02/76/65/343027665.db2.gz FKQVZJBUPCYIJN-LURJTMIESA-N 1 0 156.229 0.392 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccco1 11958346 343027696 /nfs/dbraw/zinc/02/76/96/343027696.db2.gz HFPQKDXEWFLZOA-VIFPVBQESA-N 1 0 196.250 0.879 50 0 ACAARO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1 11957416 343027702 /nfs/dbraw/zinc/02/77/02/343027702.db2.gz JCXUSDZGHZDNSY-VIFPVBQESA-N 1 0 192.262 0.992 50 0 ACAARO C[C@H]([NH3+])C(=O)NCc1ccco1 11957395 343027718 /nfs/dbraw/zinc/02/77/18/343027718.db2.gz FGGLWQZUOHSTSL-LURJTMIESA-N 1 0 168.196 0.243 50 0 in-vitro ACAARO CC(C)NC(=O)[C@@H]([NH3+])C(C)C 11958249 343027775 /nfs/dbraw/zinc/02/77/75/343027775.db2.gz CIIJAGYKJKFWLK-ZETCQYMHSA-N 1 0 158.245 0.494 50 0 in-vitro ACAARO CC[C@H](C)[C@H]([NH3+])C(=O)NC(C)C 11959180 343027817 /nfs/dbraw/zinc/02/78/17/343027817.db2.gz VCUPSOZUSVGUIK-YUMQZZPRSA-N 1 0 172.272 0.884 50 0 ACAARO CCCCNC(=O)[C@H](C)[NH3+] 11957321 343027845 /nfs/dbraw/zinc/02/78/45/343027845.db2.gz XXYQJGUBGFEJMV-LURJTMIESA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CCCCNC(=O)[C@@H]([NH3+])C(C)C 11958264 343027868 /nfs/dbraw/zinc/02/78/68/343027868.db2.gz YILIABNPUAXNQY-QMMMGPOBSA-N 1 0 172.272 0.886 50 0 ACAARO CC(C)[C@H]([NH3+])C(=O)NC1CC1 11958254 343027878 /nfs/dbraw/zinc/02/78/78/343027878.db2.gz SUGIDOGORBKDKV-ZETCQYMHSA-N 1 0 156.229 0.248 50 0 ACAARO C[C@H]([NH3+])C(=O)NC1CCCCC1 11957342 343027889 /nfs/dbraw/zinc/02/78/89/343027889.db2.gz MPBMXQCKDZECDT-ZETCQYMHSA-N 1 0 170.256 0.783 50 0 in-vitro ACAARO CC1CCN(C(=O)[C@H](C)[NH3+])CC1 11957344 343027897 /nfs/dbraw/zinc/02/78/97/343027897.db2.gz HWWVYDNMIAEGFM-QMMMGPOBSA-N 1 0 170.256 0.592 50 0 ACAARO CCCCN(C)C(=O)[C@H](C)[NH3+] 11958005 343027915 /nfs/dbraw/zinc/02/79/15/343027915.db2.gz IKLFKVPBJUMSHQ-ZETCQYMHSA-N 1 0 158.245 0.592 50 0 ACAARO CCCN(CCC)C(=O)[C@H](C)[NH3+] 11958186 343027928 /nfs/dbraw/zinc/02/79/28/343027928.db2.gz AZHUMSKXUDUMAU-QMMMGPOBSA-N 1 0 172.272 0.982 50 0 ACAARO CC[C@H](C[NH3+])OC 12137835 343028131 /nfs/dbraw/zinc/02/81/31/343028131.db2.gz VUZDMYKIULCESL-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO C[NH2+]CC(=O)NCc1ccccc1 12243747 343028468 /nfs/dbraw/zinc/02/84/68/343028468.db2.gz XJMFSXXPSYKZHK-UHFFFAOYSA-N 1 0 178.235 0.522 50 0 in-vitro ACAARO CC[C@@H](C[NH3+])OC 12137834 343028449 /nfs/dbraw/zinc/02/84/49/343028449.db2.gz VUZDMYKIULCESL-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO Cc1ccn(C[C@H](C)C[NH3+])n1 12357755 343028694 /nfs/dbraw/zinc/02/86/94/343028694.db2.gz YQODDCBFIKJEFD-SSDOTTSWSA-N 1 0 153.229 0.786 50 0 ACAARO C[C@H]1C[N@H+](CCO)C[C@@H](C)O1 12341582 343028707 /nfs/dbraw/zinc/02/87/07/343028707.db2.gz VAFPVCCEXLHAGE-OCAPTIKFSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO Cc1cnn(C[C@@H](C)[NH3+])c1 12351417 343028714 /nfs/dbraw/zinc/02/87/14/343028714.db2.gz PTVGQYPGYSFDRA-SSDOTTSWSA-N 1 0 139.202 0.539 50 0 in-vitro ACAARO Cc1ccnn1C[C@H](C)C[NH3+] 12357757 343028730 /nfs/dbraw/zinc/02/87/30/343028730.db2.gz WEWJHEAREKLINN-SSDOTTSWSA-N 1 0 153.229 0.786 50 0 ACAARO Cc1ccnn1C[C@@H](C)C[NH3+] 12357756 343028820 /nfs/dbraw/zinc/02/88/20/343028820.db2.gz WEWJHEAREKLINN-ZETCQYMHSA-N 1 0 153.229 0.786 50 0 ACAARO Cc1ccn(C[C@@H](C)C[NH3+])n1 12357754 343028868 /nfs/dbraw/zinc/02/88/68/343028868.db2.gz YQODDCBFIKJEFD-ZETCQYMHSA-N 1 0 153.229 0.786 50 0 ACAARO Cc1noc(C2CC[NH2+]CC2)n1 12359823 343029123 /nfs/dbraw/zinc/02/91/23/343029123.db2.gz CNYQWRSPRSMVCG-UHFFFAOYSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO C[N@@H+]1[C@H]2CC[C@@H]1CC(=O)C2 12359923 343029218 /nfs/dbraw/zinc/02/92/18/343029218.db2.gz QQXLDOJGLXJCSE-KNVOCYPGSA-N 1 0 139.198 0.812 50 0 biogenic,in-vivo ACAARO C[NH2+]C1CCN(C(=O)C(C)C)CC1 12359825 343029302 /nfs/dbraw/zinc/02/93/02/343029302.db2.gz GQJYXOKCLICWMY-UHFFFAOYSA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO C[NH2+]C1CCN(C(C)=O)CC1 12359886 343029359 /nfs/dbraw/zinc/02/93/59/343029359.db2.gz RSEPODZAQBVPOS-UHFFFAOYSA-N 1 0 156.229 0.217 50 0 in-vitro ACAARO Cc1nc(C[NH3+])c(C)o1 12370183 343029379 /nfs/dbraw/zinc/02/93/79/343029379.db2.gz VZLPNCZDDQNCNG-UHFFFAOYSA-N 1 0 126.159 0.750 50 0 in-vitro ACAARO CCC(=O)N1CCC([NH2+]C)CC1 12359827 343029429 /nfs/dbraw/zinc/02/94/29/343029429.db2.gz RRUSDXAHDXKSFA-UHFFFAOYSA-N 1 0 170.256 0.607 50 0 ACAARO Cc1cncc(N2CCC[NH2+]CC2)n1 12370875 343029606 /nfs/dbraw/zinc/02/96/06/343029606.db2.gz KEQNXEGORWZCQK-UHFFFAOYSA-N 1 0 192.266 0.585 50 0 ACAARO C[N@@H+]1CCC[C@@](C)(CO)C1 12384493 343029619 /nfs/dbraw/zinc/02/96/19/343029619.db2.gz LIPHTBOSXYCXFC-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC(C)N1C[C@H](C[NH3+])CC1=O 12382456 343029641 /nfs/dbraw/zinc/02/96/41/343029641.db2.gz VLIAZARVPPDEJV-ZETCQYMHSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO CC(C)[C@@H]1[NH2+]CCN(C)C1=O 12382053 343029653 /nfs/dbraw/zinc/02/96/53/343029653.db2.gz ZZOGALOMUFZTHH-ZETCQYMHSA-N 1 0 156.229 0.073 50 0 ACAARO C[C@H]([NH3+])CCN1CCOCC1 12383410 343029719 /nfs/dbraw/zinc/02/97/19/343029719.db2.gz GWAZLPJZKQFTRM-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC(C)[C@H]1[NH2+]CCN(C)C1=O 12382052 343029779 /nfs/dbraw/zinc/02/97/79/343029779.db2.gz ZZOGALOMUFZTHH-SSDOTTSWSA-N 1 0 156.229 0.073 50 0 ACAARO Cc1nn(C)cc1C[NH2+]C1CC1 12396909 343030057 /nfs/dbraw/zinc/03/00/57/343030057.db2.gz XZQKTGXMGZPRBA-UHFFFAOYSA-N 1 0 165.240 0.981 50 0 ACAARO CCn1nc(C)c(C[NH2+]CCO)c1C 12398057 343030086 /nfs/dbraw/zinc/03/00/86/343030086.db2.gz WYNWNVROSZOPLD-UHFFFAOYSA-N 1 0 197.282 0.602 50 0 ACAARO C[NH2+]CCCc1cn[nH]c1 12397664 343030166 /nfs/dbraw/zinc/03/01/66/343030166.db2.gz YWYRBSKJUUSZOE-UHFFFAOYSA-N 1 0 139.202 0.562 50 0 in-vitro ACAARO Cc1cnn([C@H](C)C[NH3+])c1 12398157 343030182 /nfs/dbraw/zinc/03/01/82/343030182.db2.gz XESDWQGZKSJTMM-SSDOTTSWSA-N 1 0 139.202 0.711 50 0 in-vitro ACAARO CC(C)Cn1cc(C[NH3+])cn1 12397707 343030221 /nfs/dbraw/zinc/03/02/21/343030221.db2.gz HBCWPJVOGPIDME-UHFFFAOYSA-N 1 0 153.229 0.998 50 0 ACAARO Cc1cnn([C@@H](C)C[NH3+])c1 12398155 343030225 /nfs/dbraw/zinc/03/02/25/343030225.db2.gz XESDWQGZKSJTMM-ZETCQYMHSA-N 1 0 139.202 0.711 50 0 in-vitro ACAARO C[C@H](C[NH3+])n1cccn1 12398149 343030229 /nfs/dbraw/zinc/03/02/29/343030229.db2.gz GQZZHLYLVWFBAY-ZCFIWIBFSA-N 1 0 125.175 0.403 50 0 in-vitro ACAARO CCc1cc(COCC[NH3+])on1 12399029 343030416 /nfs/dbraw/zinc/03/04/16/343030416.db2.gz OSPBGABDCSMFIV-UHFFFAOYSA-N 1 0 170.212 0.712 50 0 ACAARO Cc1nnsc1C[NH3+] 12399021 343030442 /nfs/dbraw/zinc/03/04/42/343030442.db2.gz UOKUAYFZVFKNIE-UHFFFAOYSA-N 1 0 129.188 0.305 50 0 in-vitro ACAARO Cc1cc(COCC[NH3+])n(C)n1 12398987 343030460 /nfs/dbraw/zinc/03/04/60/343030460.db2.gz RCLYSKDGWQJIPK-UHFFFAOYSA-N 1 0 169.228 0.204 50 0 in-vitro ACAARO CCn1cc([C@@H](C)[NH3+])cn1 12398219 343030504 /nfs/dbraw/zinc/03/05/04/343030504.db2.gz FVEXVBVWVVFGAT-ZCFIWIBFSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CC[C@@H](C[NH3+])n1cccn1 12398175 343030525 /nfs/dbraw/zinc/03/05/25/343030525.db2.gz ZWOBJXUYGIUPGC-ZETCQYMHSA-N 1 0 139.202 0.793 50 0 ACAARO CCn1cc([C@H](C)[NH3+])cn1 12398221 343030560 /nfs/dbraw/zinc/03/05/60/343030560.db2.gz FVEXVBVWVVFGAT-LURJTMIESA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CC[C@H](C[NH3+])n1cccn1 12398177 343030601 /nfs/dbraw/zinc/03/06/01/343030601.db2.gz ZWOBJXUYGIUPGC-SSDOTTSWSA-N 1 0 139.202 0.793 50 0 ACAARO CCn1cnnc1[C@@H](C)[NH3+] 12413869 343030933 /nfs/dbraw/zinc/03/09/33/343030933.db2.gz YQFABFCRGKQFAG-RXMQYKEDSA-N 1 0 140.190 0.318 50 0 ACAARO CCn1cnnc1[C@H](C)[NH3+] 12413871 343030947 /nfs/dbraw/zinc/03/09/47/343030947.db2.gz YQFABFCRGKQFAG-YFKPBYRVSA-N 1 0 140.190 0.318 50 0 ACAARO CC(C)c1[nH][nH]c(=O)c1CC[NH3+] 12404873 343031001 /nfs/dbraw/zinc/03/10/01/343031001.db2.gz YWXPTHQMNOUPBY-UHFFFAOYSA-N 1 0 169.228 0.328 50 0 in-vitro ACAARO Cc1csc(N2CC[NH2+]CC2)n1 12463238 343031326 /nfs/dbraw/zinc/03/13/26/343031326.db2.gz UGWOIKOTDJQPST-UHFFFAOYSA-N 1 0 183.280 0.861 50 0 ACAARO C[NH+](C)C[C@@H]1CCC[NH2+]C1 12481200 343031349 /nfs/dbraw/zinc/03/13/49/343031349.db2.gz QOVQVKFKBHWTAA-MRVPVSSYSA-N 1 0 142.246 0.548 50 0 in-vitro ACAARO CN(C)C(=O)c1ccc(C[NH3+])cc1 12505435 343031415 /nfs/dbraw/zinc/03/14/15/343031415.db2.gz FYWRKAATFPEAEF-UHFFFAOYSA-N 1 0 178.235 0.847 50 0 in-vitro ACAARO Cc1nccc(C[NH3+])n1 12505687 343031801 /nfs/dbraw/zinc/03/18/01/343031801.db2.gz MMQVVRGYBJLXIL-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CC[C@H]1[NH2+]CCCC1=O 12650041 343031840 /nfs/dbraw/zinc/03/18/40/343031840.db2.gz KREQUHBXJBODNN-ZCFIWIBFSA-N 1 0 127.187 0.718 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnc2n1CCC2 12505501 343031915 /nfs/dbraw/zinc/03/19/15/343031915.db2.gz XUTYRPGBNPZBEP-YFKPBYRVSA-N 1 0 152.201 0.244 50 0 in-vitro ACAARO Cc1nn2cc(C)[n+](C)c2s1 12558740 343031967 /nfs/dbraw/zinc/03/19/67/343031967.db2.gz PIZAGKJHABOAJK-UHFFFAOYSA-N 1 0 168.245 0.837 50 0 ACAARO CCCNC(=O)C1CC[NH2+]CC1 12505825 343031986 /nfs/dbraw/zinc/03/19/86/343031986.db2.gz CFJIWUIQOQCGKP-UHFFFAOYSA-N 1 0 170.256 0.512 50 0 in-vitro ACAARO CC[C@@H]1[NH2+]CCCC1=O 12650038 343032008 /nfs/dbraw/zinc/03/20/08/343032008.db2.gz KREQUHBXJBODNN-LURJTMIESA-N 1 0 127.187 0.718 50 0 in-vitro ACAARO Cc1nnc(C)n1C1CC[NH2+]CC1 12955413 343032283 /nfs/dbraw/zinc/03/22/83/343032283.db2.gz XBPPPXAGUDHXJQ-UHFFFAOYSA-N 1 0 180.255 0.819 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]CCO1 12769426 343032656 /nfs/dbraw/zinc/03/26/56/343032656.db2.gz RGNFMQJLAOONTP-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CNC(=O)c1cccc(C[NH3+])c1 13013716 343033019 /nfs/dbraw/zinc/03/30/19/343033019.db2.gz PSZORFNLDLXHCE-UHFFFAOYSA-N 1 0 164.208 0.505 50 0 in-vitro ACAARO CN(N)c1cccc[nH+]1 13233179 343033530 /nfs/dbraw/zinc/03/35/30/343033530.db2.gz QLNFKVFUZHBVHT-UHFFFAOYSA-N 1 0 123.159 0.392 50 0 ACAARO CCC(=O)[C@@H](C)[NH3+] 13356386 343034083 /nfs/dbraw/zinc/03/40/83/343034083.db2.gz QFQPULHETHXBCL-SCSAIBSYSA-N 1 0 101.149 0.313 50 0 ACAARO CCC(=O)[C@H](C)[NH3+] 13356390 343034223 /nfs/dbraw/zinc/03/42/23/343034223.db2.gz QFQPULHETHXBCL-BYPYZUCNSA-N 1 0 101.149 0.313 50 0 ACAARO CN(C)c1ccc(C[C@@H]([NH3+])CO)cc1 13483639 343035088 /nfs/dbraw/zinc/03/50/88/343035088.db2.gz ZTOHUVFPVDSUPB-SNVBAGLBSA-N 1 0 194.278 0.615 50 0 in-vitro ACAARO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C 13529487 343035604 /nfs/dbraw/zinc/03/56/04/343035604.db2.gz BBURRWZXFUJMSZ-BQBZGAKWSA-N 1 0 158.245 0.448 50 0 in-vitro ACAARO C[C@H](C[NH3+])c1c[nH]cn1 13524465 343035735 /nfs/dbraw/zinc/03/57/35/343035735.db2.gz UTXDPIGHIUIJIS-RXMQYKEDSA-N 1 0 125.175 0.472 50 0 in-vitro ACAARO CC[C@H]([NH3+])C(=O)N1CCCCC1 13529527 343035764 /nfs/dbraw/zinc/03/57/64/343035764.db2.gz ZCICKIPNYNVXMI-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO C[NH2+]CCOC[C@H]1CCCCO1 13519571 343035783 /nfs/dbraw/zinc/03/57/83/343035783.db2.gz GBELRBNUQIOXJL-SECBINFHSA-N 1 0 173.256 0.792 50 0 in-vitro ACAARO C[NH2+]CCOC[C@@H]1CCCCO1 13519566 343035788 /nfs/dbraw/zinc/03/57/88/343035788.db2.gz GBELRBNUQIOXJL-VIFPVBQESA-N 1 0 173.256 0.792 50 0 in-vitro ACAARO CCCCNC(=O)[C@@H](C)[NH3+] 13551869 343036157 /nfs/dbraw/zinc/03/61/57/343036157.db2.gz XXYQJGUBGFEJMV-ZCFIWIBFSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO C[C@H](F)C[NH3+] 13546582 343036235 /nfs/dbraw/zinc/03/62/35/343036235.db2.gz FCZZMLAMPPXMOZ-VKHMYHEASA-N 1 0 77.102 0.303 50 0 ACAARO Cc1nn(C)c(C)c1C[C@H](C)[NH3+] 13566586 343036298 /nfs/dbraw/zinc/03/62/98/343036298.db2.gz CFETTYQSJILJEY-LURJTMIESA-N 1 0 167.256 0.927 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH3+] 13566585 343036311 /nfs/dbraw/zinc/03/63/11/343036311.db2.gz CFETTYQSJILJEY-ZCFIWIBFSA-N 1 0 167.256 0.927 50 0 in-vitro ACAARO CCC[NH+]1CCC(O)CC1 13546131 343036336 /nfs/dbraw/zinc/03/63/36/343036336.db2.gz BUGNITMKWYOPCU-UHFFFAOYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO Cc1cccnc1C1(O)CC[NH2+]CC1 13564019 343036345 /nfs/dbraw/zinc/03/63/45/343036345.db2.gz AVFMWCMJJZNQDA-UHFFFAOYSA-N 1 0 192.262 0.961 50 0 ACAARO CC[C@@H]1COC(N)=[NH+]1 13588701 343036752 /nfs/dbraw/zinc/03/67/52/343036752.db2.gz JTEWXLMHFCOPAX-SCSAIBSYSA-N 1 0 114.148 0.110 50 0 in-vivo ACAARO CC[C@H]1COC(N)=[NH+]1 13588702 343036993 /nfs/dbraw/zinc/03/69/93/343036993.db2.gz JTEWXLMHFCOPAX-BYPYZUCNSA-N 1 0 114.148 0.110 50 0 in-vivo ACAARO CCC12CNCC(CC)(C[NH2+]C1)C2=O 13655473 343037047 /nfs/dbraw/zinc/03/70/47/343037047.db2.gz RBFBTDVSTGPANP-UHFFFAOYSA-N 1 0 196.294 0.555 50 0 ACAARO C[NH+](C)CCNC(=S)NC1CC1 13765498 343037481 /nfs/dbraw/zinc/03/74/81/343037481.db2.gz KBPSKOPPZLNPGB-UHFFFAOYSA-N 1 0 187.312 0.175 50 0 ACAARO C[C@H]1C[C@@H](C)C[N@H+](CC(N)=O)C1 14194605 343038226 /nfs/dbraw/zinc/03/82/26/343038226.db2.gz NHJNWHCUXALULB-OCAPTIKFSA-N 1 0 170.256 0.450 50 0 ACAARO C[C@H]1CCC[N@H+](CC(N)=O)C1 14193747 343038319 /nfs/dbraw/zinc/03/83/19/343038319.db2.gz VDUDAWJCIMSEDT-ZETCQYMHSA-N 1 0 156.229 0.204 50 0 in-vitro ACAARO C[C@H]1C[C@H](C)C[NH+](CC(N)=O)C1 14194606 343038346 /nfs/dbraw/zinc/03/83/46/343038346.db2.gz NHJNWHCUXALULB-YUMQZZPRSA-N 1 0 170.256 0.450 50 0 ACAARO C[C@H](O)C[C@@H]1CCC[NH2+]1 14513636 343039168 /nfs/dbraw/zinc/03/91/68/343039168.db2.gz YNOPDCKXNICFQS-BQBZGAKWSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO C[C@H](C[NH3+])OC[C@@H]1CCCO1 14628637 343039352 /nfs/dbraw/zinc/03/93/52/343039352.db2.gz JOSNICIVZRKUDG-SFYZADRCSA-N 1 0 159.229 0.529 50 0 ACAARO C[NH2+]CCOCCCOC 14628647 343039424 /nfs/dbraw/zinc/03/94/24/343039424.db2.gz SCPGKCMHZICSIZ-UHFFFAOYSA-N 1 0 147.218 0.259 50 0 in-vitro ACAARO C1C[NH2+]C[C@@H](OC[C@@H]2CCCO2)C1 14631608 343039722 /nfs/dbraw/zinc/03/97/22/343039722.db2.gz JUEVOHUEVOKSRJ-UWVGGRQHSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO C[C@H](O)C[C@H]1CCCC[NH2+]1 14695440 343039843 /nfs/dbraw/zinc/03/98/43/343039843.db2.gz GFKFBLJVPWRDEL-JGVFFNPUSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO O=C1CCC[C@@H]2[C@@H]3C[NH2+]C[C@@H](C3)CN12 14722942 343040077 /nfs/dbraw/zinc/04/00/77/343040077.db2.gz KWVYCGMBGRYVQH-KXUCPTDWSA-N 1 0 194.278 0.607 50 0 biogenic ACAARO C[N@@H+]1CC[C@H](O)[C@@H]2CCC[C@@H]21 14943775 343040215 /nfs/dbraw/zinc/04/02/15/343040215.db2.gz SYOFKZCZCYMACF-VGMNWLOBSA-N 1 0 155.241 0.852 50 0 ACAARO Cc1nnc([C@H](C)[NH3+])[nH]1 14807572 343040279 /nfs/dbraw/zinc/04/02/79/343040279.db2.gz RVFCWTOXJWOHRS-VKHMYHEASA-N 1 0 126.163 0.133 50 0 in-vitro ACAARO Cc1nc(C)n(C[C@H](C)[NH3+])n1 14987929 343041095 /nfs/dbraw/zinc/04/10/95/343041095.db2.gz LAQMJGSVXHAWKR-YFKPBYRVSA-N 1 0 154.217 0.242 50 0 ACAARO Cc1nc(C)n(C[C@@H](C)[NH3+])n1 14987926 343041101 /nfs/dbraw/zinc/04/11/01/343041101.db2.gz LAQMJGSVXHAWKR-RXMQYKEDSA-N 1 0 154.217 0.242 50 0 ACAARO CC[C@H](C)NC(=O)C1CC[NH2+]CC1 15416815 343041821 /nfs/dbraw/zinc/04/18/21/343041821.db2.gz DYFRVVYYUVJLHC-QMMMGPOBSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)c1nc(CC[NH3+])no1 15417224 343041828 /nfs/dbraw/zinc/04/18/28/343041828.db2.gz WYKZLECSHGWAQL-UHFFFAOYSA-N 1 0 155.201 0.694 50 0 in-vitro ACAARO CCc1nc(CC[NH3+])no1 15417221 343041846 /nfs/dbraw/zinc/04/18/46/343041846.db2.gz HLMOXJDQNDGESR-UHFFFAOYSA-N 1 0 141.174 0.133 50 0 in-vitro ACAARO Cc1ccc(C(=O)NCC[NH3+])cc1F 15583187 343042091 /nfs/dbraw/zinc/04/20/91/343042091.db2.gz PLPAERDCLFRFCH-UHFFFAOYSA-N 1 0 196.225 0.823 50 0 ACAARO C[NH2+]CCN(C)C(=O)c1ccccc1 15443530 343042226 /nfs/dbraw/zinc/04/22/26/343042226.db2.gz HRRYEOIOBDIZTM-UHFFFAOYSA-N 1 0 192.262 0.978 50 0 in-vitro ACAARO C[NH2+]CCN1CCCCC1=O 15635583 343042260 /nfs/dbraw/zinc/04/22/60/343042260.db2.gz NYHLPFBUFMSXAJ-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 in-vitro ACAARO CC[C@]1(CO)CCC[NH2+]C1 15635646 343042599 /nfs/dbraw/zinc/04/25/99/343042599.db2.gz XLRLUGYPWYNJGD-QMMMGPOBSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CC(C)c1noc([C@@H]2C[C@@H](O)C[NH2+]2)n1 15674769 343042654 /nfs/dbraw/zinc/04/26/54/343042654.db2.gz UHVLXRZCDLJRHO-RQJHMYQMSA-N 1 0 197.238 0.588 50 0 biogenic,in-vitro ACAARO Cc1cc(C[NH3+])ccn1 15781563 343042666 /nfs/dbraw/zinc/04/26/66/343042666.db2.gz SYSGWPLRRPINQC-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO C[C@H]1CCC[C@@H](CCO)[NH2+]1 15781541 343042737 /nfs/dbraw/zinc/04/27/37/343042737.db2.gz RLVLWHOXXDDCNY-YUMQZZPRSA-N 1 0 143.230 0.899 50 0 ACAARO C[C@H]1CCC[C@H](CCO)[NH2+]1 15781545 343042754 /nfs/dbraw/zinc/04/27/54/343042754.db2.gz RLVLWHOXXDDCNY-JGVFFNPUSA-N 1 0 143.230 0.899 50 0 ACAARO CC(C)[NH2+]C1COC1 16083057 343043028 /nfs/dbraw/zinc/04/30/28/343043028.db2.gz XESAXGZAVQQNBN-UHFFFAOYSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CCC[NH3+] 16052656 343043106 /nfs/dbraw/zinc/04/31/06/343043106.db2.gz WGYKZJWCGVVSQN-UHFFFAOYSA-N 1 0 59.112 0.355 50 0 endogenous,in-man ACAARO CCCC[n+]1cc(=[NH2+])o[n-]1 15962371 343043192 /nfs/dbraw/zinc/04/31/92/343043192.db2.gz DMEPJTJZXOFNRN-UHFFFAOYSA-N 1 0 142.182 0.175 50 0 ACAARO CCCC(=O)NC1CC[NH+](C)CC1 16580787 343043909 /nfs/dbraw/zinc/04/39/09/343043909.db2.gz CKEBCXOOFCUUNV-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO CC1(N2CCOCC2)CC[NH2+]CC1 16678694 343044025 /nfs/dbraw/zinc/04/40/25/343044025.db2.gz DUOLQKAYKVXDBZ-UHFFFAOYSA-N 1 0 184.283 0.461 50 0 in-vitro ACAARO CCC(=O)NC1CC[NH+](CC)CC1 16580146 343044257 /nfs/dbraw/zinc/04/42/57/343044257.db2.gz QXPCUQLACNOZAM-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO CCC(=O)NCC[NH+]1CCCCC1 16605247 343044305 /nfs/dbraw/zinc/04/43/05/343044305.db2.gz UORSJOLJOHEDFS-UHFFFAOYSA-N 1 0 184.283 0.999 50 0 ACAARO Cc1n(C)c2ccccc2[n+]1N 16675735 343044326 /nfs/dbraw/zinc/04/43/26/343044326.db2.gz WFONGJSWYLOHKJ-UHFFFAOYSA-N 1 0 162.216 0.488 50 0 ACAARO C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 16697110 343044686 /nfs/dbraw/zinc/04/46/86/343044686.db2.gz CHRBSEYIEDTNSC-UHFFFAOYSA-N 1 0 186.255 0.825 50 0 in-vitro ACAARO C[NH2+]CCCn1ccnc1C 16941549 343044975 /nfs/dbraw/zinc/04/49/75/343044975.db2.gz CEKYCCUKUIBFHB-UHFFFAOYSA-N 1 0 153.229 0.801 50 0 in-vitro ACAARO C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 16957853 343045079 /nfs/dbraw/zinc/04/50/79/343045079.db2.gz JQEVYGSMSXMWCB-VIFPVBQESA-N 1 0 196.294 0.997 50 0 ACAARO CN(C)C(=O)c1ccc(C[NH3+])o1 16942612 343045132 /nfs/dbraw/zinc/04/51/32/343045132.db2.gz HCGWXUAJPZOAGF-UHFFFAOYSA-N 1 0 168.196 0.440 50 0 in-vitro ACAARO CC1CC[NH+](CC(N)=O)CC1 16957702 343045203 /nfs/dbraw/zinc/04/52/03/343045203.db2.gz ZYKORLGCTVRVOY-UHFFFAOYSA-N 1 0 156.229 0.204 50 0 ACAARO CCCNC(=O)NC1CC[NH+](C)CC1 16957884 343045226 /nfs/dbraw/zinc/04/52/26/343045226.db2.gz HNCMIJCUIULCLQ-UHFFFAOYSA-N 1 0 199.298 0.790 50 0 ACAARO CC[C@H](O)C1CC[NH2+]CC1 19088758 343049640 /nfs/dbraw/zinc/04/96/40/343049640.db2.gz WDOWPHYNSYXXHJ-QMMMGPOBSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO [NH3+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 18425307 343048251 /nfs/dbraw/zinc/04/82/51/343048251.db2.gz IGFFNPSUQAREPD-FXQIFTODSA-N 1 0 141.214 0.903 50 0 ACAARO [NH3+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 18425309 343048381 /nfs/dbraw/zinc/04/83/81/343048381.db2.gz IGFFNPSUQAREPD-CSMHCCOUSA-N 1 0 141.214 0.903 50 0 ACAARO C[N@@H+]1CCn2ccnc2C1 18558702 343048828 /nfs/dbraw/zinc/04/88/28/343048828.db2.gz CFAPHOLBVIDQAZ-UHFFFAOYSA-N 1 0 137.186 0.329 50 0 ACAARO [NH3+][C@H](C1CC1)[C@H](CO)C1CC1 18614470 343048842 /nfs/dbraw/zinc/04/88/42/343048842.db2.gz HITUQCSFEYRGKE-RKDXNWHRSA-N 1 0 155.241 0.742 50 0 ACAARO [NH3+][C@@H](C1CC1)[C@H](CO)C1CC1 18614467 343048956 /nfs/dbraw/zinc/04/89/56/343048956.db2.gz HITUQCSFEYRGKE-BDAKNGLRSA-N 1 0 155.241 0.742 50 0 ACAARO C[C@H]1C[NH2+]C[C@@H](C2CC2)O1 18879432 343049123 /nfs/dbraw/zinc/04/91/23/343049123.db2.gz RNKRUMKDAJVRSL-XPUUQOCRSA-N 1 0 141.214 0.773 50 0 in-vitro ACAARO C[C@H]([NH3+])CCn1cccn1 19088489 343049132 /nfs/dbraw/zinc/04/91/32/343049132.db2.gz IWZKYTFDBARHKM-ZETCQYMHSA-N 1 0 139.202 0.620 50 0 in-vitro ACAARO CCn1ccnc1C[NH3+] 19088669 343049146 /nfs/dbraw/zinc/04/91/46/343049146.db2.gz XAKAVKFLXVMKJT-UHFFFAOYSA-N 1 0 125.175 0.362 50 0 in-vitro ACAARO CCC[NH+]1CCOCC1 19075754 343049254 /nfs/dbraw/zinc/04/92/54/343049254.db2.gz NMILGIZTAZXMTM-UHFFFAOYSA-N 1 0 129.203 0.729 50 0 ACAARO CCn1nnc(C)c1C[NH3+] 19039880 343049269 /nfs/dbraw/zinc/04/92/69/343049269.db2.gz KKEHXUNJYYFUNI-UHFFFAOYSA-N 1 0 140.190 0.065 50 0 ACAARO CCn1ccnc1C[NH2+]C 19088671 343049312 /nfs/dbraw/zinc/04/93/12/343049312.db2.gz DPAINHKACVOQJW-UHFFFAOYSA-N 1 0 139.202 0.622 50 0 in-vitro ACAARO CC(C)[NH2+]C[C@@H]1CCC(=O)N1 19087928 343049359 /nfs/dbraw/zinc/04/93/59/343049359.db2.gz YTMRRRDTUWKIOJ-ZETCQYMHSA-N 1 0 156.229 0.263 50 0 ACAARO CCc1noc(CC[NH3+])n1 19088038 343049386 /nfs/dbraw/zinc/04/93/86/343049386.db2.gz GKJJABSPCCAZGZ-UHFFFAOYSA-N 1 0 141.174 0.133 50 0 in-vitro ACAARO Cc1cccnc1CC[NH3+] 19088204 343049417 /nfs/dbraw/zinc/04/94/17/343049417.db2.gz DZBIXJNIABTHHX-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO CC(C)c1noc(CC[NH3+])n1 19088045 343049427 /nfs/dbraw/zinc/04/94/27/343049427.db2.gz QIZAQAIZJDBTJR-UHFFFAOYSA-N 1 0 155.201 0.694 50 0 in-vitro ACAARO Cc1cccc(N)[nH+]1 19075790 343049457 /nfs/dbraw/zinc/04/94/57/343049457.db2.gz QUXLCYFNVNNRBE-UHFFFAOYSA-N 1 0 108.144 0.972 50 0 in-vitro ACAARO CC(C)[NH2+]C[C@H]1CCC(=O)N1 19087931 343049521 /nfs/dbraw/zinc/04/95/21/343049521.db2.gz YTMRRRDTUWKIOJ-SSDOTTSWSA-N 1 0 156.229 0.263 50 0 ACAARO C[C@H]1C[NH2+]C[C@H](C2CC2)O1 18879438 343049526 /nfs/dbraw/zinc/04/95/26/343049526.db2.gz RNKRUMKDAJVRSL-POYBYMJQSA-N 1 0 141.214 0.773 50 0 in-vitro ACAARO CC[C@@H](O)C1CC[NH2+]CC1 19088755 343049665 /nfs/dbraw/zinc/04/96/65/343049665.db2.gz WDOWPHYNSYXXHJ-MRVPVSSYSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO Cc1nn2cc(C[NH3+])nc2s1 19088799 343049680 /nfs/dbraw/zinc/04/96/80/343049680.db2.gz GKNHWJKAWRNGHA-UHFFFAOYSA-N 1 0 168.225 0.558 50 0 ACAARO CCC(=O)[C@H]1CCC[NH2+]C1 19088720 343049693 /nfs/dbraw/zinc/04/96/93/343049693.db2.gz LLMKXWOGGBBSTI-ZETCQYMHSA-N 1 0 141.214 0.965 50 0 in-vitro ACAARO CC(C)n1cc(C[NH3+])cn1 19089131 343049722 /nfs/dbraw/zinc/04/97/22/343049722.db2.gz VMNKYEWGKWZUNI-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CC(C)Cn1cncc1C[NH3+] 19090174 343049745 /nfs/dbraw/zinc/04/97/45/343049745.db2.gz SNIUHBHPADLOGR-UHFFFAOYSA-N 1 0 153.229 0.998 50 0 ACAARO CCn1cc(C[NH2+]CCOC)cn1 19089159 343049783 /nfs/dbraw/zinc/04/97/83/343049783.db2.gz LHQXRLQFAAWQHE-UHFFFAOYSA-N 1 0 183.255 0.639 50 0 in-vitro ACAARO CC[C@H]1C=CC[NH2+]1 19093184 343051030 /nfs/dbraw/zinc/05/10/30/343051030.db2.gz ORNUPIIUYHGIQI-LURJTMIESA-N 1 0 97.161 0.924 50 0 ACAARO CCC[NH2+]Cc1nccn1C 19090120 343049852 /nfs/dbraw/zinc/04/98/52/343049852.db2.gz VRNYCHMSJPVAFO-UHFFFAOYSA-N 1 0 153.229 0.920 50 0 in-vitro ACAARO CCC(=O)[C@@H]1CCC[NH2+]C1 19088717 343049935 /nfs/dbraw/zinc/04/99/35/343049935.db2.gz LLMKXWOGGBBSTI-SSDOTTSWSA-N 1 0 141.214 0.965 50 0 in-vitro ACAARO Cc1nn2cc(CC[NH3+])nc2s1 19088802 343049975 /nfs/dbraw/zinc/04/99/75/343049975.db2.gz ZODLYIRDAZIIQR-UHFFFAOYSA-N 1 0 182.252 0.600 50 0 in-vitro ACAARO CCn1cncc1C[NH3+] 19090171 343049981 /nfs/dbraw/zinc/04/99/81/343049981.db2.gz JMVGTUJLDTZQFC-UHFFFAOYSA-N 1 0 125.175 0.362 50 0 in-vitro ACAARO C[NH2+]CCCc1nccn1C 19090986 343050118 /nfs/dbraw/zinc/05/01/18/343050118.db2.gz DDHOOAHZOZOEHW-UHFFFAOYSA-N 1 0 153.229 0.572 50 0 ACAARO CC[C@]1(O)CCC[NH2+]C1 19090474 343050121 /nfs/dbraw/zinc/05/01/21/343050121.db2.gz NLVBTAUKMSPTEZ-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO C[NH2+]CCC1(O)CCCC1 19091123 343050122 /nfs/dbraw/zinc/05/01/22/343050122.db2.gz ULWCQTYWQPOPFV-UHFFFAOYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1ccnn1C 19091502 343050126 /nfs/dbraw/zinc/05/01/26/343050126.db2.gz NTGFKUWZGUGTFA-LURJTMIESA-N 1 0 139.202 0.830 50 0 in-vitro ACAARO C[C@]1(O)CCC[NH2+]C1 19090467 343050138 /nfs/dbraw/zinc/05/01/38/343050138.db2.gz LLDKGUNKYFJNPV-LURJTMIESA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO Cc1ccnc(NCC[NH3+])c1 19090978 343050140 /nfs/dbraw/zinc/05/01/40/343050140.db2.gz POLFZJFTWICAOV-UHFFFAOYSA-N 1 0 151.213 0.761 50 0 in-vitro ACAARO CCCCNC(=O)C[NH2+]C 19091515 343050155 /nfs/dbraw/zinc/05/01/55/343050155.db2.gz YPQBXFWRJLBFDU-UHFFFAOYSA-N 1 0 144.218 0.122 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1cnn(C)c1 19090653 343050160 /nfs/dbraw/zinc/05/01/60/343050160.db2.gz VVWSKQUHMPDXEV-ZETCQYMHSA-N 1 0 139.202 0.830 50 0 in-vitro ACAARO C[C@@]1(CO)CCC[NH2+]C1 19090715 343050164 /nfs/dbraw/zinc/05/01/64/343050164.db2.gz DMGCHHGYZKQCNX-SSDOTTSWSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO C[NH2+]CCC(C)(C)O 19091117 343050167 /nfs/dbraw/zinc/05/01/67/343050167.db2.gz ZULPATVQDRLYAC-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO Cc1cccnc1NCC[NH3+] 19090966 343050175 /nfs/dbraw/zinc/05/01/75/343050175.db2.gz FOMZKRMMBHSXRG-UHFFFAOYSA-N 1 0 151.213 0.761 50 0 in-vitro ACAARO C[NH2+]CC1(CO)CCC1 19091443 343050209 /nfs/dbraw/zinc/05/02/09/343050209.db2.gz PFLUXSYXRSXOFJ-UHFFFAOYSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO C[NH2+]CC(C)(C)CO 19091434 343050231 /nfs/dbraw/zinc/05/02/31/343050231.db2.gz ZCCHIQJONBEULF-UHFFFAOYSA-N 1 0 117.192 0.224 50 0 in-vitro ACAARO CC[C@@]1(O)CCC[NH2+]C1 19090471 343050235 /nfs/dbraw/zinc/05/02/35/343050235.db2.gz NLVBTAUKMSPTEZ-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO C[C@@]1(O)CCC[NH2+]C1 19090464 343050237 /nfs/dbraw/zinc/05/02/37/343050237.db2.gz LLDKGUNKYFJNPV-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[NH2+]CCCOC 19091107 343050245 /nfs/dbraw/zinc/05/02/45/343050245.db2.gz HJELPNLGHMWKQT-UHFFFAOYSA-N 1 0 103.165 0.242 50 0 in-vitro ACAARO C[NH2+]CC1(CO)CCCC1 19091446 343050284 /nfs/dbraw/zinc/05/02/84/343050284.db2.gz SULZFQBYJXFVTO-UHFFFAOYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO CC1(C)C[NH2+]CCO1 19090722 343050323 /nfs/dbraw/zinc/05/03/23/343050323.db2.gz UFLFSJVTFSZTKX-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[C@H]([NH3+])c1cn2ncsc2n1 19091539 343050331 /nfs/dbraw/zinc/05/03/31/343050331.db2.gz BWBUVWWRFYETLI-BYPYZUCNSA-N 1 0 168.225 0.811 50 0 ACAARO CC[C@@H]([NH3+])c1ccnn1C 19091499 343050363 /nfs/dbraw/zinc/05/03/63/343050363.db2.gz NTGFKUWZGUGTFA-ZCFIWIBFSA-N 1 0 139.202 0.830 50 0 in-vitro ACAARO CC[C@H]1COCC[NH2+]1 19091136 343050368 /nfs/dbraw/zinc/05/03/68/343050368.db2.gz JBQWQBSRIAGTJT-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CN(Cc1ccccn1)C(N)=[NH2+] 19090442 343050372 /nfs/dbraw/zinc/05/03/72/343050372.db2.gz GMTGRMHHCQZHEL-UHFFFAOYSA-N 1 0 164.212 0.407 50 0 ACAARO C[C@H](CC[NH3+])N1CCOCC1 19092016 343050588 /nfs/dbraw/zinc/05/05/88/343050588.db2.gz PJRDKXUODLOYBV-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO C[C@H](CCO)[NH+]1CCOCC1 19092366 343050592 /nfs/dbraw/zinc/05/05/92/343050592.db2.gz SKNVZWRSIWZAAB-MRVPVSSYSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO Cc1nccn1CC1(C[NH3+])CC1 19091849 343050664 /nfs/dbraw/zinc/05/06/64/343050664.db2.gz CQUJOKCZKKWSAX-UHFFFAOYSA-N 1 0 165.240 0.930 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1ncnn1C 19091712 343050667 /nfs/dbraw/zinc/05/06/67/343050667.db2.gz SGXWUDGJVDSLSF-RXMQYKEDSA-N 1 0 140.190 0.225 50 0 in-vitro ACAARO C[NH2+]C1(COC)CC1 19092817 343050724 /nfs/dbraw/zinc/05/07/24/343050724.db2.gz DAUXMNIXOMZOFC-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO CCn1ncnc1[C@@H](C)[NH3+] 19092195 343050785 /nfs/dbraw/zinc/05/07/85/343050785.db2.gz BSQRPRIGWJTGNY-RXMQYKEDSA-N 1 0 140.190 0.318 50 0 in-vitro ACAARO Cc1nc(C)n(CCC[NH3+])n1 19092633 343050790 /nfs/dbraw/zinc/05/07/90/343050790.db2.gz UUJBKYUVARGEOD-UHFFFAOYSA-N 1 0 154.217 0.244 50 0 in-vitro ACAARO CCn1ncnc1[C@@H]([NH3+])C1CC1 19092773 343050809 /nfs/dbraw/zinc/05/08/09/343050809.db2.gz PJRQWSHVFFLUPY-ZETCQYMHSA-N 1 0 166.228 0.708 50 0 in-vitro ACAARO CCn1ncnc1[C@H](C)[NH3+] 19092199 343050814 /nfs/dbraw/zinc/05/08/14/343050814.db2.gz BSQRPRIGWJTGNY-YFKPBYRVSA-N 1 0 140.190 0.318 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1ncnn1C 19091716 343050828 /nfs/dbraw/zinc/05/08/28/343050828.db2.gz SGXWUDGJVDSLSF-YFKPBYRVSA-N 1 0 140.190 0.225 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1ncnn1C 19091727 343050844 /nfs/dbraw/zinc/05/08/44/343050844.db2.gz LUTYSHHATVYMSC-LURJTMIESA-N 1 0 154.217 0.471 50 0 ACAARO CCn1ncnc1[C@H]([NH3+])C1CC1 19092775 343050893 /nfs/dbraw/zinc/05/08/93/343050893.db2.gz PJRQWSHVFFLUPY-SSDOTTSWSA-N 1 0 166.228 0.708 50 0 in-vitro ACAARO Cc1cc(C)n(C2C[NH2+]C2)n1 19091776 343050910 /nfs/dbraw/zinc/05/09/10/343050910.db2.gz JNIGJXJBRHGJBY-UHFFFAOYSA-N 1 0 151.213 0.644 50 0 in-vitro ACAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(=O)[nH]1 19093407 343051023 /nfs/dbraw/zinc/05/10/23/343051023.db2.gz YTFIYVWETXWNCF-QMMMGPOBSA-N 1 0 193.250 0.545 50 0 ACAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(=O)[nH]1 19093405 343051027 /nfs/dbraw/zinc/05/10/27/343051027.db2.gz YTFIYVWETXWNCF-MRVPVSSYSA-N 1 0 193.250 0.545 50 0 ACAARO CC[C@@H]1C=CC[NH2+]1 19093186 343051087 /nfs/dbraw/zinc/05/10/87/343051087.db2.gz ORNUPIIUYHGIQI-ZCFIWIBFSA-N 1 0 97.161 0.924 50 0 ACAARO Cc1nc(C2CC[NH2+]CC2)cc(=O)[nH]1 19093403 343051096 /nfs/dbraw/zinc/05/10/96/343051096.db2.gz GZVSDLSRWQYJCE-UHFFFAOYSA-N 1 0 193.250 0.545 50 0 in-vitro ACAARO CCC(=O)N1CCC([NH3+])CC1 19093233 343051114 /nfs/dbraw/zinc/05/11/14/343051114.db2.gz ARECLULLLYMJKA-UHFFFAOYSA-N 1 0 156.229 0.346 50 0 ACAARO C[NH+](C)CCc1nnc(N)s1 19093857 343051167 /nfs/dbraw/zinc/05/11/67/343051167.db2.gz LQQWVVCJYSVFEF-UHFFFAOYSA-N 1 0 172.257 0.224 50 0 in-vitro ACAARO C[N@H+](CCO)Cc1cccc(N)c1 19093282 343051203 /nfs/dbraw/zinc/05/12/03/343051203.db2.gz DGYKFZLLFICWRR-UHFFFAOYSA-N 1 0 180.251 0.693 50 0 ACAARO Cc1cc(CN2CC[NH2+]CC2)on1 19230100 343052048 /nfs/dbraw/zinc/05/20/48/343052048.db2.gz IICSMQOSSHSZLK-UHFFFAOYSA-N 1 0 181.239 0.388 50 0 in-vitro ACAARO C[NH+](C)CCNCc1ccco1 19255317 343052051 /nfs/dbraw/zinc/05/20/51/343052051.db2.gz FSUKHKIOJCSGHL-UHFFFAOYSA-N 1 0 168.240 0.931 50 0 in-vitro ACAARO C[C@H]1CN(CC[NH3+])C[C@H](C)O1 19230036 343052130 /nfs/dbraw/zinc/05/21/30/343052130.db2.gz GLOJLKCUVTZRFO-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CCCN1CC[NH2+]CC1 19230198 343052167 /nfs/dbraw/zinc/05/21/67/343052167.db2.gz QLEIDMAURCRVCX-UHFFFAOYSA-N 1 0 128.219 0.302 50 0 in-vitro ACAARO CCCC(=O)NC[C@@H]1CCC[NH2+]C1 19276703 343052408 /nfs/dbraw/zinc/05/24/08/343052408.db2.gz UMHKNAGCZCXRJD-SECBINFHSA-N 1 0 184.283 0.902 50 0 in-vitro ACAARO C[C@H]([NH3+])Cn1c(=O)oc2ccccc21 19267696 343052422 /nfs/dbraw/zinc/05/24/22/343052422.db2.gz VVJNUGXBLLOXAG-ZETCQYMHSA-N 1 0 192.218 0.942 50 0 ACAARO CC[C@@]1(C)NC(=O)N(CCC[NH3+])C1=O 19271751 343052484 /nfs/dbraw/zinc/05/24/84/343052484.db2.gz BCXXJKJRCIVLAH-SECBINFHSA-N 1 0 199.254 0.056 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ccc(OCC(N)=O)cc1 19262226 343052591 /nfs/dbraw/zinc/05/25/91/343052591.db2.gz XWPBWRIDGFUYLO-ZETCQYMHSA-N 1 0 194.234 0.570 50 0 in-vitro ACAARO C[C@H]1CCCCN1C(=O)CC[NH3+] 19262124 343052623 /nfs/dbraw/zinc/05/26/23/343052623.db2.gz XOLCLLAEGSANBM-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO Cc1nccn1CCCC[NH3+] 19273860 343052662 /nfs/dbraw/zinc/05/26/62/343052662.db2.gz HOIAWOKJIFZUMY-UHFFFAOYSA-N 1 0 153.229 0.930 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1ccc(O)cc1O 19266592 343052698 /nfs/dbraw/zinc/05/26/98/343052698.db2.gz ZMGCGQOEKJYTNS-LURJTMIESA-N 1 0 167.208 0.988 50 0 ACAARO CCCC(=O)N1CC[NH2+]CC1 19271102 343052711 /nfs/dbraw/zinc/05/27/11/343052711.db2.gz OGQQJMSDOICEAR-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 ACAARO C[NH2+]CC(=O)Nc1ccccc1 19277532 343052826 /nfs/dbraw/zinc/05/28/26/343052826.db2.gz GPKJKIOOIVUFMI-UHFFFAOYSA-N 1 0 164.208 0.845 50 0 in-vitro ACAARO Cc1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 19285287 343052842 /nfs/dbraw/zinc/05/28/42/343052842.db2.gz SGMNPZXHXHPCJA-SSDOTTSWSA-N 1 0 179.223 0.155 50 0 ACAARO CC(C)[NH2+]CC(=O)N(C)C 19277555 343052910 /nfs/dbraw/zinc/05/29/10/343052910.db2.gz KVNJLJNUTXPTPB-UHFFFAOYSA-N 1 0 144.218 0.073 50 0 ACAARO CC1(C)C[NH2+]C(C)(C)CN1 19366422 343053160 /nfs/dbraw/zinc/05/31/60/343053160.db2.gz QOBFZPNAUHORDW-UHFFFAOYSA-N 1 0 142.246 0.736 50 0 ACAARO CC[C@]1(C)C[C@@]2(CCO1)C[NH2+]CCN2 19363344 343053256 /nfs/dbraw/zinc/05/32/56/343053256.db2.gz ROHPOJQPAAMVIN-MNOVXSKESA-N 1 0 198.310 0.897 50 0 ACAARO Cc1noc(C)c1CN1CC[NH2+]CC1 19362178 343053388 /nfs/dbraw/zinc/05/33/88/343053388.db2.gz LJPFGGDQLGMPPG-UHFFFAOYSA-N 1 0 195.266 0.697 50 0 ACAARO CN(C)CC(C)(C)[NH3+] 19366927 343053390 /nfs/dbraw/zinc/05/33/90/343053390.db2.gz IRNAEDHJBNPCEZ-UHFFFAOYSA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])c1ccco1 19362026 343053435 /nfs/dbraw/zinc/05/34/35/343053435.db2.gz AZJFCUDCKGDHOQ-ZETCQYMHSA-N 1 0 154.213 0.841 50 0 in-vitro ACAARO C[C@H]1CN(C)CC[N@@H+]1C 19366633 343053415 /nfs/dbraw/zinc/05/34/15/343053415.db2.gz UAIVFDJJMVMUGY-ZETCQYMHSA-N 1 0 128.219 0.252 50 0 ACAARO CCCCN1CC[NH2+]CC1 19365428 343053427 /nfs/dbraw/zinc/05/34/27/343053427.db2.gz YKSVXVKIYYQWBB-UHFFFAOYSA-N 1 0 142.246 0.692 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])c1ccco1 19362025 343053439 /nfs/dbraw/zinc/05/34/39/343053439.db2.gz AZJFCUDCKGDHOQ-SSDOTTSWSA-N 1 0 154.213 0.841 50 0 in-vitro ACAARO CC[C@H]([NH3+])CN(C)C 19368457 343053447 /nfs/dbraw/zinc/05/34/47/343053447.db2.gz AKRUIVSMWDCKNI-LURJTMIESA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO CC[C@@H]([NH3+])CN(C)C 19368458 343053455 /nfs/dbraw/zinc/05/34/55/343053455.db2.gz AKRUIVSMWDCKNI-ZCFIWIBFSA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO C[C@H](CN(C)C)[NH+](C)C 19366728 343053475 /nfs/dbraw/zinc/05/34/75/343053475.db2.gz JUXXCHAGQCBNTI-SSDOTTSWSA-N 1 0 130.235 0.498 50 0 ACAARO CC12CN3CC[NH+](C1)CC(C)(C3)C2O 19366885 343053528 /nfs/dbraw/zinc/05/35/28/343053528.db2.gz JNARJHDJLSPXGM-UHFFFAOYSA-N 1 0 196.294 0.005 50 0 biogenic ACAARO CCCC(=O)NC1CC[NH2+]CC1 19400182 343053913 /nfs/dbraw/zinc/05/39/13/343053913.db2.gz XWDRSWSDSOSFLI-UHFFFAOYSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CCC[N@H+](CC)CCN 19371699 343053924 /nfs/dbraw/zinc/05/39/24/343053924.db2.gz MRFUPHOVJBIRCB-UHFFFAOYSA-N 1 0 130.235 0.677 50 0 in-vitro ACAARO CCCC(=O)N1CCC([NH3+])CC1 19385398 343053959 /nfs/dbraw/zinc/05/39/59/343053959.db2.gz WLUKQNBYENUVPS-UHFFFAOYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO CCCC(=O)N[C@H]1CCC[NH2+]C1 19398132 343054031 /nfs/dbraw/zinc/05/40/31/343054031.db2.gz JBTMXZAUERTTFX-QMMMGPOBSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO CC(C)N(C)C(=O)[C@H]1CCC[NH2+]C1 19413165 343054333 /nfs/dbraw/zinc/05/43/33/343054333.db2.gz OXRIXTMBHOHTKR-VIFPVBQESA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO CCCCN(C)CC[NH3+] 19405756 343054386 /nfs/dbraw/zinc/05/43/86/343054386.db2.gz BCHCXIHUKWIMHC-UHFFFAOYSA-N 1 0 130.235 0.677 50 0 in-vitro ACAARO CC[C@H](C)NC(=O)C[NH2+]C 19404629 343054404 /nfs/dbraw/zinc/05/44/04/343054404.db2.gz BISYWLMQJSJTNY-LURJTMIESA-N 1 0 144.218 0.121 50 0 ACAARO CCCCNC(=O)[C@@H]1CCC[NH2+]C1 19412926 343054418 /nfs/dbraw/zinc/05/44/18/343054418.db2.gz YXJXOPXCTGLNEU-SECBINFHSA-N 1 0 184.283 0.902 50 0 in-vitro ACAARO Cc1ncsc1C(=O)NCC[NH3+] 19412051 343054426 /nfs/dbraw/zinc/05/44/26/343054426.db2.gz MDFBUQRUEOBRSD-UHFFFAOYSA-N 1 0 185.252 0.140 50 0 in-vitro ACAARO CN(C)C(=O)[C@H]1CCCC[NH2+]1 19411637 343054429 /nfs/dbraw/zinc/05/44/29/343054429.db2.gz NUYUOVYMORENER-SSDOTTSWSA-N 1 0 156.229 0.217 50 0 ACAARO CCCC(=O)N1CCC[NH2+]CC1 19407818 343054441 /nfs/dbraw/zinc/05/44/41/343054441.db2.gz JULGOYFOLAVLAJ-UHFFFAOYSA-N 1 0 170.256 0.608 50 0 in-vitro ACAARO CC(C)NC(=O)[C@@H]1CCC[NH2+]C1 19413425 343054444 /nfs/dbraw/zinc/05/44/44/343054444.db2.gz MQGOGOIJRYXDQI-MRVPVSSYSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO CCCNC(=O)[C@H]1CCCC[NH2+]1 19412816 343054465 /nfs/dbraw/zinc/05/44/65/343054465.db2.gz CUDKXVVKOCEJEY-MRVPVSSYSA-N 1 0 170.256 0.655 50 0 ACAARO CC(C)NC(=O)[C@H]1CCC[NH2+]C1 19413427 343054487 /nfs/dbraw/zinc/05/44/87/343054487.db2.gz MQGOGOIJRYXDQI-QMMMGPOBSA-N 1 0 170.256 0.511 50 0 ACAARO CC(C)NC(=O)[C@@H]1CCCC[NH2+]1 19410649 343054500 /nfs/dbraw/zinc/05/45/00/343054500.db2.gz SRKFCNUXNCUCMZ-QMMMGPOBSA-N 1 0 170.256 0.653 50 0 ACAARO CCCNC(=O)[C@@H]1CCC[NH2+]C1 19410753 343054521 /nfs/dbraw/zinc/05/45/21/343054521.db2.gz AGGOHJGXWYGROI-MRVPVSSYSA-N 1 0 170.256 0.512 50 0 in-vitro ACAARO CC(C)NC(=O)[C@H]1CCCC[NH2+]1 19410651 343054523 /nfs/dbraw/zinc/05/45/23/343054523.db2.gz SRKFCNUXNCUCMZ-MRVPVSSYSA-N 1 0 170.256 0.653 50 0 ACAARO CCCCN(C)C(=O)[C@H]1CCC[NH2+]1 19410120 343054527 /nfs/dbraw/zinc/05/45/27/343054527.db2.gz APCTZHMAWOWWSQ-SECBINFHSA-N 1 0 184.283 0.997 50 0 ACAARO CCCCNC(=O)C1CC[NH2+]CC1 19410080 343054529 /nfs/dbraw/zinc/05/45/29/343054529.db2.gz GKCROKLQKJMQMJ-UHFFFAOYSA-N 1 0 184.283 0.902 50 0 in-vitro ACAARO CC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 19409676 343054563 /nfs/dbraw/zinc/05/45/63/343054563.db2.gz MUVJYDKFWDAROM-YUMQZZPRSA-N 1 0 170.256 0.653 50 0 ACAARO CC(C)NC(=O)[C@H]1CCC[NH2+]1 19410682 343054589 /nfs/dbraw/zinc/05/45/89/343054589.db2.gz AUACPLOGXSJUHE-SSDOTTSWSA-N 1 0 156.229 0.263 50 0 in-vitro ACAARO CN(C)C(=O)[C@@H]1CCCC[NH2+]1 19411635 343054591 /nfs/dbraw/zinc/05/45/91/343054591.db2.gz NUYUOVYMORENER-ZETCQYMHSA-N 1 0 156.229 0.217 50 0 ACAARO CCC(CC)C(=O)N1CC[NH2+]CC1 19402078 343054605 /nfs/dbraw/zinc/05/46/05/343054605.db2.gz YKMRHHWSGTTYBC-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 ACAARO C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 19410926 343054614 /nfs/dbraw/zinc/05/46/14/343054614.db2.gz FLYQHRPNOYJELE-VHSXEESVSA-N 1 0 196.294 0.997 50 0 ACAARO CC(C)N(C)C(=O)[C@@H]1CCC[NH2+]C1 19413163 343054631 /nfs/dbraw/zinc/05/46/31/343054631.db2.gz OXRIXTMBHOHTKR-SECBINFHSA-N 1 0 184.283 0.853 50 0 in-vitro ACAARO CC[C@@](C)(C[NH3+])N1CCOCC1 19413945 343054635 /nfs/dbraw/zinc/05/46/35/343054635.db2.gz RNGALZNABGSEIF-VIFPVBQESA-N 1 0 172.272 0.446 50 0 ACAARO Cc1ncsc1C[NH3+] 19415990 343054780 /nfs/dbraw/zinc/05/47/80/343054780.db2.gz UGNFDYLWMWQMPR-UHFFFAOYSA-N 1 0 128.200 0.910 50 0 ACAARO Cc1ccc(C[NH3+])cn1 19420999 343054832 /nfs/dbraw/zinc/05/48/32/343054832.db2.gz NZPFQOXRHLUPRT-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1nncn1C 19433956 343054942 /nfs/dbraw/zinc/05/49/42/343054942.db2.gz XPISXWQFHZCZNQ-LURJTMIESA-N 1 0 154.217 0.471 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])c1nncn1C 19433954 343054952 /nfs/dbraw/zinc/05/49/52/343054952.db2.gz XPISXWQFHZCZNQ-ZCFIWIBFSA-N 1 0 154.217 0.471 50 0 in-vitro ACAARO CC(C)NC(=O)[C@H]([NH3+])C(C)C 19435357 343054973 /nfs/dbraw/zinc/05/49/73/343054973.db2.gz CIIJAGYKJKFWLK-SSDOTTSWSA-N 1 0 158.245 0.494 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C 19436297 343054995 /nfs/dbraw/zinc/05/49/95/343054995.db2.gz FZZIMRQDJKXDFD-SFYZADRCSA-N 1 0 170.256 0.735 50 0 in-vitro ACAARO C[C@H]1CCCCN1C(=O)[C@@H](C)[NH3+] 19436291 343055089 /nfs/dbraw/zinc/05/50/89/343055089.db2.gz FZZIMRQDJKXDFD-JGVFFNPUSA-N 1 0 170.256 0.735 50 0 in-vitro ACAARO CN(C)[C@]1(C[NH3+])CCSC1 19436343 343055121 /nfs/dbraw/zinc/05/51/21/343055121.db2.gz QSPJOBDYLWKZPW-ZETCQYMHSA-N 1 0 160.286 0.382 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])C(=O)N(C)C 19437689 343055132 /nfs/dbraw/zinc/05/51/32/343055132.db2.gz OKEFIWWKXMYCQJ-ZCFIWIBFSA-N 1 0 144.218 0.058 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1CCCCCC1 19431023 343055138 /nfs/dbraw/zinc/05/51/38/343055138.db2.gz QNKQFRBECOXXNJ-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO C[NH2+]CC(=O)NC1CCCC1 19431906 343055148 /nfs/dbraw/zinc/05/51/48/343055148.db2.gz XEYXCLMCOLCHHU-UHFFFAOYSA-N 1 0 156.229 0.265 50 0 ACAARO CCC(CC)(C[NH3+])N1CCOCC1 19431930 343055151 /nfs/dbraw/zinc/05/51/51/343055151.db2.gz VEDYQZVDBFQJDW-UHFFFAOYSA-N 1 0 186.299 0.836 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])C(=O)N(C)C 19437691 343055166 /nfs/dbraw/zinc/05/51/66/343055166.db2.gz OKEFIWWKXMYCQJ-LURJTMIESA-N 1 0 144.218 0.058 50 0 in-vitro ACAARO CC[C@H](C)[C@@H]([NH3+])C(=O)NC 19439066 343055192 /nfs/dbraw/zinc/05/51/92/343055192.db2.gz PCWZFJQSFIEREL-NTSWFWBYSA-N 1 0 144.218 0.106 50 0 ACAARO CC[C@H](C)[C@H]([NH3+])C(=O)NC 19439070 343055207 /nfs/dbraw/zinc/05/52/07/343055207.db2.gz PCWZFJQSFIEREL-WDSKDSINSA-N 1 0 144.218 0.106 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C 19436293 343055209 /nfs/dbraw/zinc/05/52/09/343055209.db2.gz FZZIMRQDJKXDFD-YUMQZZPRSA-N 1 0 170.256 0.735 50 0 in-vitro ACAARO Cc1ccc(C(=O)NCCC[NH3+])cn1 19438664 343055212 /nfs/dbraw/zinc/05/52/12/343055212.db2.gz JAWYILMUYXCSGG-UHFFFAOYSA-N 1 0 193.250 0.469 50 0 ACAARO CNC(=O)CC1CC[NH2+]CC1 19437534 343055256 /nfs/dbraw/zinc/05/52/56/343055256.db2.gz ARPZPQQZHSZMNS-UHFFFAOYSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 19475144 343055470 /nfs/dbraw/zinc/05/54/70/343055470.db2.gz RHRGYSCEYCBJMG-SFYZADRCSA-N 1 0 170.256 0.592 50 0 ACAARO C[NH2+]CC(=O)Nc1cccnc1 19441317 343055541 /nfs/dbraw/zinc/05/55/41/343055541.db2.gz WIQGCSVHYQZMKW-UHFFFAOYSA-N 1 0 165.196 0.240 50 0 ACAARO CC[C@H](C)[C@@H]([NH3+])C(=O)NC(C)C 19474062 343055547 /nfs/dbraw/zinc/05/55/47/343055547.db2.gz VCUPSOZUSVGUIK-JGVFFNPUSA-N 1 0 172.272 0.884 50 0 ACAARO C[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 19475142 343055559 /nfs/dbraw/zinc/05/55/59/343055559.db2.gz RHRGYSCEYCBJMG-JGVFFNPUSA-N 1 0 170.256 0.592 50 0 ACAARO CC[C@H](C)NC(=O)[C@@H](C)[NH3+] 19475105 343055685 /nfs/dbraw/zinc/05/56/85/343055685.db2.gz MZBPIBHKPQRGGT-NTSWFWBYSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO CC[C@H](C)NC(=O)[C@H](C)[NH3+] 19475109 343055755 /nfs/dbraw/zinc/05/57/55/343055755.db2.gz MZBPIBHKPQRGGT-WDSKDSINSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO C[NH2+]CC(=O)N1CCC[C@@H](C)C1 19476307 343056093 /nfs/dbraw/zinc/05/60/93/343056093.db2.gz RCSTXUPIAHXWGB-MRVPVSSYSA-N 1 0 170.256 0.464 50 0 ACAARO CC[C@H](C)NC(=O)[C@H]([NH3+])C(C)C 19478756 343056105 /nfs/dbraw/zinc/05/61/05/343056105.db2.gz PJSLBNWKRDGEAM-JGVFFNPUSA-N 1 0 172.272 0.884 50 0 ACAARO C[NH+](C)CCC(N)=S 19480736 343056138 /nfs/dbraw/zinc/05/61/38/343056138.db2.gz APWATHHHOCAOLI-UHFFFAOYSA-N 1 0 132.232 0.224 50 0 ACAARO CCCCNC(=O)[C@H]([NH3+])C(C)C 19483818 343056144 /nfs/dbraw/zinc/05/61/44/343056144.db2.gz YILIABNPUAXNQY-MRVPVSSYSA-N 1 0 172.272 0.886 50 0 ACAARO C[C@H]1CN(C2CC[NH2+]CC2)CCO1 19484635 343056150 /nfs/dbraw/zinc/05/61/50/343056150.db2.gz URIKZZBNEUKVAN-VIFPVBQESA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO CC(C)OCC(N)=[NH2+] 19480057 343056177 /nfs/dbraw/zinc/05/61/77/343056177.db2.gz BFRFXXVNFWXWLG-UHFFFAOYSA-N 1 0 116.164 0.347 50 0 in-vitro ACAARO CNC(=O)C1([NH3+])CCCCC1 19485965 343056188 /nfs/dbraw/zinc/05/61/88/343056188.db2.gz FALQUGITXCDROJ-UHFFFAOYSA-N 1 0 156.229 0.394 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1ncc(C)s1 19476293 343056228 /nfs/dbraw/zinc/05/62/28/343056228.db2.gz INBQGTYKPYRGDE-UHFFFAOYSA-N 1 0 185.252 0.609 50 0 ACAARO C[NH2+]CC(=O)N1CCCC[C@H]1C 19486714 343056256 /nfs/dbraw/zinc/05/62/56/343056256.db2.gz ZIBDYZPPTTYORP-MRVPVSSYSA-N 1 0 170.256 0.607 50 0 ACAARO C[NH2+]CC(=O)N1CCC(C)CC1 19476544 343056401 /nfs/dbraw/zinc/05/64/01/343056401.db2.gz VYHCZXRDPQWGLL-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 ACAARO CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 19476406 343056438 /nfs/dbraw/zinc/05/64/38/343056438.db2.gz BXCGVAOWUFKCRN-SNVBAGLBSA-N 1 0 192.262 0.645 50 0 in-vitro ACAARO CC(C)[NH+]1CCC([NH3+])(C(=O)[O-])CC1 19509434 343056529 /nfs/dbraw/zinc/05/65/29/343056529.db2.gz KNIHUVGGQCRUDR-UHFFFAOYSA-N 1 0 186.255 0.273 50 0 ACAARO C[NH2+]CC(=O)Nc1nccs1 19488022 343056586 /nfs/dbraw/zinc/05/65/86/343056586.db2.gz SRTCQOIADFBXBK-UHFFFAOYSA-N 1 0 171.225 0.301 50 0 in-vitro ACAARO CCCCN(C)C(=O)C[NH2+]C 19502919 343056653 /nfs/dbraw/zinc/05/66/53/343056653.db2.gz PJBMEWYJYHWTBO-UHFFFAOYSA-N 1 0 158.245 0.464 50 0 ACAARO CC(C)OCCC(N)=[NH2+] 19509461 343056706 /nfs/dbraw/zinc/05/67/06/343056706.db2.gz OGHRVLDNKQZMLB-UHFFFAOYSA-N 1 0 130.191 0.737 50 0 in-vitro ACAARO Cc1csc(NC(=O)C[NH3+])n1 19506196 343056723 /nfs/dbraw/zinc/05/67/23/343056723.db2.gz VSZWAWRXWNJTGP-UHFFFAOYSA-N 1 0 171.225 0.349 50 0 ACAARO C[C@H]1CCCN(C(=O)C[NH3+])C1 19505029 343056743 /nfs/dbraw/zinc/05/67/43/343056743.db2.gz FTQDJJNFBVZHEN-ZETCQYMHSA-N 1 0 156.229 0.204 50 0 ACAARO CNC(=O)[C@H]([NH3+])CC(C)C 19509931 343057031 /nfs/dbraw/zinc/05/70/31/343057031.db2.gz LIBDTAYIDBPBRN-ZCFIWIBFSA-N 1 0 144.218 0.106 50 0 in-vitro ACAARO C[NH2+]CC(=O)N1CCCCCC1 19516150 343057065 /nfs/dbraw/zinc/05/70/65/343057065.db2.gz HIFJCOJICKKYHJ-UHFFFAOYSA-N 1 0 170.256 0.608 50 0 ACAARO Cc1csc(NC(=O)[C@@H](C)[NH3+])n1 19516720 343057074 /nfs/dbraw/zinc/05/70/74/343057074.db2.gz MYYKDSYLNCVCBZ-RXMQYKEDSA-N 1 0 185.252 0.737 50 0 ACAARO CCC(CC)NC(=O)C[NH2+]C 19517755 343057117 /nfs/dbraw/zinc/05/71/17/343057117.db2.gz RRKPAOCLCFWPRU-UHFFFAOYSA-N 1 0 158.245 0.511 50 0 ACAARO C[NH2+]CC(=O)NC1CCCCC1 19513596 343057137 /nfs/dbraw/zinc/05/71/37/343057137.db2.gz KBBYYWYDZXAMOK-UHFFFAOYSA-N 1 0 170.256 0.655 50 0 ACAARO C[NH2+]CC(=O)N(C)C1CCCCC1 19512104 343057140 /nfs/dbraw/zinc/05/71/40/343057140.db2.gz BLZHAZBHZDELOI-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO C[C@H](NC(=O)C[NH3+])c1ccccc1 19513877 343057171 /nfs/dbraw/zinc/05/71/71/343057171.db2.gz ISKASNLUPTVDNL-QMMMGPOBSA-N 1 0 178.235 0.823 50 0 ACAARO CNC(=O)[C@@H]([NH3+])CC(C)C 19509929 343057174 /nfs/dbraw/zinc/05/71/74/343057174.db2.gz LIBDTAYIDBPBRN-LURJTMIESA-N 1 0 144.218 0.106 50 0 in-vitro ACAARO C[C@H]1CCCCN1C(=O)C[NH3+] 19514569 343057232 /nfs/dbraw/zinc/05/72/32/343057232.db2.gz PKURTDDRTXPMFY-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO CCCN1C[C@H](C[NH3+])CC1=O 19669250 343057516 /nfs/dbraw/zinc/05/75/16/343057516.db2.gz TZAXYKXNUJBENC-ZETCQYMHSA-N 1 0 156.229 0.204 50 0 ACAARO Cc1nc([C@H]2CCCC[NH2+]2)cc(=O)[nH]1 19685939 343057876 /nfs/dbraw/zinc/05/78/76/343057876.db2.gz UKUHLVVTKTVNDF-MRVPVSSYSA-N 1 0 193.250 0.893 50 0 ACAARO C[NH2+]CCN1CCCCC1 19685464 343057883 /nfs/dbraw/zinc/05/78/83/343057883.db2.gz KCAUHAHOMIRXAN-UHFFFAOYSA-N 1 0 142.246 0.692 50 0 in-vitro ACAARO CN(C)C(=O)[C@]1(C)CCC[NH2+]1 19686128 343057906 /nfs/dbraw/zinc/05/79/06/343057906.db2.gz VJKOMMCXPDPPMS-QMMMGPOBSA-N 1 0 156.229 0.217 50 0 ACAARO C[C@H](O)CCC[NH3+] 19674935 343057916 /nfs/dbraw/zinc/05/79/16/343057916.db2.gz VJGRDSFPHUTBBE-YFKPBYRVSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO Cc1cc(=O)[nH]c([C@@H]2CCCC[NH2+]2)n1 19686174 343057951 /nfs/dbraw/zinc/05/79/51/343057951.db2.gz ZVXSISDULMOLLM-QMMMGPOBSA-N 1 0 193.250 0.893 50 0 ACAARO C[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 19672508 343057968 /nfs/dbraw/zinc/05/79/68/343057968.db2.gz BFDGVIUAGUGXNN-QMMMGPOBSA-N 1 0 184.283 0.982 50 0 ACAARO CCCCN(C)C(=O)C(C)(C)[NH3+] 19672502 343057981 /nfs/dbraw/zinc/05/79/81/343057981.db2.gz LENXOLNHTXDGMK-UHFFFAOYSA-N 1 0 172.272 0.982 50 0 ACAARO CC(C)NC(=O)C(C)(C)[NH3+] 19672319 343057986 /nfs/dbraw/zinc/05/79/86/343057986.db2.gz GFFAGXALRYXAJK-UHFFFAOYSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO Cc1cc(=O)[nH]c([C@H]2CCCC[NH2+]2)n1 19686176 343058004 /nfs/dbraw/zinc/05/80/04/343058004.db2.gz ZVXSISDULMOLLM-MRVPVSSYSA-N 1 0 193.250 0.893 50 0 ACAARO CCC(=O)N1CCC[NH2+]CC1 19679918 343058084 /nfs/dbraw/zinc/05/80/84/343058084.db2.gz BFOKZEUBUDXELO-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 in-vitro ACAARO C[NH2+]CC1(O)CCCC1 19669807 343058091 /nfs/dbraw/zinc/05/80/91/343058091.db2.gz JHJHDBGUTJWNTC-UHFFFAOYSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO Cc1nc([C@@H]2CCCC[NH2+]2)cc(=O)[nH]1 19685937 343058107 /nfs/dbraw/zinc/05/81/07/343058107.db2.gz UKUHLVVTKTVNDF-QMMMGPOBSA-N 1 0 193.250 0.893 50 0 ACAARO CCCCNC(=O)C(C)(C)[NH3+] 19672325 343058109 /nfs/dbraw/zinc/05/81/09/343058109.db2.gz IETBRYKFJACQSI-UHFFFAOYSA-N 1 0 158.245 0.640 50 0 ACAARO CN(C)C(=O)[C@@]1(C)CCC[NH2+]1 19686126 343058112 /nfs/dbraw/zinc/05/81/12/343058112.db2.gz VJKOMMCXPDPPMS-MRVPVSSYSA-N 1 0 156.229 0.217 50 0 ACAARO Cc1cc(=O)[nH]c(C2CC[NH2+]CC2)n1 19686160 343058122 /nfs/dbraw/zinc/05/81/22/343058122.db2.gz AKRZSTHICZPNEU-UHFFFAOYSA-N 1 0 193.250 0.958 50 0 ACAARO CC[C@H](C)NC(=O)C(C)(C)[NH3+] 19672331 343058140 /nfs/dbraw/zinc/05/81/40/343058140.db2.gz OGJMBCDNWHNTDD-LURJTMIESA-N 1 0 158.245 0.638 50 0 ACAARO Cc1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 19685943 343058164 /nfs/dbraw/zinc/05/81/64/343058164.db2.gz PSNBYAKIOBJSPM-SSDOTTSWSA-N 1 0 179.223 0.503 50 0 ACAARO CC1CCN(C(=O)C(C)(C)[NH3+])CC1 19672341 343058180 /nfs/dbraw/zinc/05/81/80/343058180.db2.gz WHSIGGAMYXJHLL-UHFFFAOYSA-N 1 0 184.283 0.982 50 0 ACAARO Cc1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 19685941 343058213 /nfs/dbraw/zinc/05/82/13/343058213.db2.gz PSNBYAKIOBJSPM-ZETCQYMHSA-N 1 0 179.223 0.503 50 0 ACAARO Cc1cc(=O)cc([C@H]2C[NH2+]CCO2)[nH]1 19686701 343058466 /nfs/dbraw/zinc/05/84/66/343058466.db2.gz FIKMOWLWEIFIPV-SNVBAGLBSA-N 1 0 194.234 0.757 50 0 ACAARO Cc1nccc([C@@H]2C[NH2+]CCO2)n1 19686574 343058472 /nfs/dbraw/zinc/05/84/72/343058472.db2.gz BMQBEDLWQGNCKQ-VIFPVBQESA-N 1 0 179.223 0.446 50 0 ACAARO OCCc1cc(C2CC[NH2+]CC2)no1 19686202 343058487 /nfs/dbraw/zinc/05/84/87/343058487.db2.gz RSZKCZVINIBWNF-UHFFFAOYSA-N 1 0 196.250 0.676 50 0 ACAARO CN1CC[NH+](CCCCO)CC1 19691574 343058510 /nfs/dbraw/zinc/05/85/10/343058510.db2.gz GSFOUKVQYFLTRA-UHFFFAOYSA-N 1 0 172.272 0.006 50 0 in-vitro ACAARO Cc1cc(=O)cc([C@@H]2C[NH2+]CCO2)[nH]1 19686699 343058542 /nfs/dbraw/zinc/05/85/42/343058542.db2.gz FIKMOWLWEIFIPV-JTQLQIEISA-N 1 0 194.234 0.757 50 0 ACAARO Cc1noc(C2C[NH2+]C2)n1 19686304 343058549 /nfs/dbraw/zinc/05/85/49/343058549.db2.gz YJUTYBZBQLBFJO-UHFFFAOYSA-N 1 0 139.158 0.065 50 0 in-vitro ACAARO Cc1nc(C2CC[NH2+]CC2)no1 19686204 343058555 /nfs/dbraw/zinc/05/85/55/343058555.db2.gz ARRIZRNPHNCKOQ-UHFFFAOYSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1nccc(C2C[NH2+]C2)n1 19686458 343058562 /nfs/dbraw/zinc/05/85/62/343058562.db2.gz SLLLHPBQPCCTKQ-UHFFFAOYSA-N 1 0 149.197 0.472 50 0 in-vitro ACAARO Cc1nccc([C@H]2C[NH2+]CCO2)n1 19686576 343058585 /nfs/dbraw/zinc/05/85/85/343058585.db2.gz BMQBEDLWQGNCKQ-SECBINFHSA-N 1 0 179.223 0.446 50 0 ACAARO Cc1nc([C@@H]2CCC[NH2+]2)no1 19686292 343058610 /nfs/dbraw/zinc/05/86/10/343058610.db2.gz RFIKUEFSGRDOMQ-LURJTMIESA-N 1 0 153.185 0.803 50 0 in-vitro ACAARO Cc1cc(=O)cc(C2C[NH2+]C2)[nH]1 19686518 343058632 /nfs/dbraw/zinc/05/86/32/343058632.db2.gz ZBQBKISLTACLHU-UHFFFAOYSA-N 1 0 164.208 0.370 50 0 ACAARO Cc1nccc([C@H]2CC[NH2+]C2)n1 19686572 343058634 /nfs/dbraw/zinc/05/86/34/343058634.db2.gz RKMRZRYZJSRHBK-QMMMGPOBSA-N 1 0 163.224 0.862 50 0 ACAARO CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO 19703454 343058663 /nfs/dbraw/zinc/05/86/63/343058663.db2.gz VAUQXPBOGCJNHH-QWRGUYRKSA-N 1 0 198.310 0.537 50 0 biogenic ACAARO Cc1nc([C@@H]2CCC[NH2+]C2)no1 19686228 343058685 /nfs/dbraw/zinc/05/86/85/343058685.db2.gz RNZPWGXBWMZDBW-SSDOTTSWSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1nc([C@H]2CCC[NH2+]2)no1 19686294 343058698 /nfs/dbraw/zinc/05/86/98/343058698.db2.gz RFIKUEFSGRDOMQ-ZCFIWIBFSA-N 1 0 153.185 0.803 50 0 in-vitro ACAARO C[C@H](C[NH3+])C1CC1 19726214 343058992 /nfs/dbraw/zinc/05/89/92/343058992.db2.gz RQUOMUYKVVAWSQ-RXMQYKEDSA-N 1 0 99.177 0.991 50 0 ACAARO CN(C)CC1([NH3+])CCCC1 19727568 343059009 /nfs/dbraw/zinc/05/90/09/343059009.db2.gz VDNIFMDAQBGJGP-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 ACAARO CCn1cc(CN2CC[NH2+]CC2)cn1 19735708 343059279 /nfs/dbraw/zinc/05/92/79/343059279.db2.gz WTPIGPMDACSGGN-UHFFFAOYSA-N 1 0 194.282 0.308 50 0 ACAARO Cc1nc(CN2CC[NH2+]CC2)cs1 19735754 343059286 /nfs/dbraw/zinc/05/92/86/343059286.db2.gz RZWRPESYZFJDIU-UHFFFAOYSA-N 1 0 197.307 0.857 50 0 in-vitro ACAARO C[C@H](CN)[NH+]1CCCC1 19735764 343059342 /nfs/dbraw/zinc/05/93/42/343059342.db2.gz GUHQLUWDOMXRGQ-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CCC[NH2+]CCC(=O)NC 19736988 343059366 /nfs/dbraw/zinc/05/93/66/343059366.db2.gz RRELTSVUBDBKNH-UHFFFAOYSA-N 1 0 144.218 0.122 50 0 ACAARO CCC[NH2+]CCC(=O)OC 19736925 343059392 /nfs/dbraw/zinc/05/93/92/343059392.db2.gz GDEQTSGNHQHPLZ-UHFFFAOYSA-N 1 0 145.202 0.549 50 0 ACAARO CC[C@H]([NH3+])CN1CCOCC1 19735727 343059405 /nfs/dbraw/zinc/05/94/05/343059405.db2.gz HJMLSYDTXOCXOO-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC[C@@H]([NH3+])CN1CCOCC1 19735726 343059425 /nfs/dbraw/zinc/05/94/25/343059425.db2.gz HJMLSYDTXOCXOO-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CNC(=O)CC[NH2+]Cc1ccccc1 19736947 343059448 /nfs/dbraw/zinc/05/94/48/343059448.db2.gz KQCWGCBBBFZBCI-UHFFFAOYSA-N 1 0 192.262 0.912 50 0 ACAARO CC(C)[NH+]1CCNCC1 19735213 343059475 /nfs/dbraw/zinc/05/94/75/343059475.db2.gz WHKWMTXTYKVFLK-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[C@H](CN)[NH+]1CCCCC1 19735760 343059478 /nfs/dbraw/zinc/05/94/78/343059478.db2.gz UNIIVAXJUCKZHT-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CNC(=O)CC[NH2+]C(C)(C)C 19736949 343059499 /nfs/dbraw/zinc/05/94/99/343059499.db2.gz BYXWOEOSOZHQLW-UHFFFAOYSA-N 1 0 158.245 0.511 50 0 ACAARO CC1=CC(C)=[NH+]CCN1 19735685 343059501 /nfs/dbraw/zinc/05/95/01/343059501.db2.gz HQOXLKBFOCPYAE-UHFFFAOYSA-N 1 0 124.187 0.954 50 0 ACAARO C[C@H]1CCCC[N@@H+]1CCN 19735202 343059520 /nfs/dbraw/zinc/05/95/20/343059520.db2.gz DBSDZVMWEMKFCH-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CN(C)[C@H]1CCC[NH2+]C1 19735482 343059585 /nfs/dbraw/zinc/05/95/85/343059585.db2.gz NMGVIZJUIPNHLI-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC[C@H](C)[NH+]1CCNCC1 19735215 343059600 /nfs/dbraw/zinc/05/96/00/343059600.db2.gz ZHHCLIRTNOSAPB-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO CC[C@H](C)[NH2+]CCC(N)=O 19736854 343059603 /nfs/dbraw/zinc/05/96/03/343059603.db2.gz KWJYYZUWOIHOIE-LURJTMIESA-N 1 0 144.218 0.250 50 0 ACAARO CN(C)[C@@H]1CCC[NH2+]C1 19735481 343059621 /nfs/dbraw/zinc/05/96/21/343059621.db2.gz NMGVIZJUIPNHLI-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CNC(=O)CC[NH2+]Cc1ccco1 19736986 343059634 /nfs/dbraw/zinc/05/96/34/343059634.db2.gz QYBZRIWMLGYRHB-UHFFFAOYSA-N 1 0 182.223 0.505 50 0 ACAARO C[N@@H+]1CCC[C@H]1CN 19737033 343059829 /nfs/dbraw/zinc/05/98/29/343059829.db2.gz JUFKJRCMBLLXNH-LURJTMIESA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@@H]1CN 19737032 343059854 /nfs/dbraw/zinc/05/98/54/343059854.db2.gz JUFKJRCMBLLXNH-ZCFIWIBFSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO C[NH+](C)CCCOc1ncccc1N 19754161 343059878 /nfs/dbraw/zinc/05/98/78/343059878.db2.gz ROAKPUWWGJIWPP-UHFFFAOYSA-N 1 0 195.266 0.994 50 0 ACAARO CNC(=O)[C@]1(C)CCC[NH2+]C1 19749403 343059903 /nfs/dbraw/zinc/05/99/03/343059903.db2.gz QLWFXVDKQVJTGS-MRVPVSSYSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO CCC[NH2+]CCC(=O)NCC 19736989 343059938 /nfs/dbraw/zinc/05/99/38/343059938.db2.gz AYZZIDJIAURYDC-UHFFFAOYSA-N 1 0 158.245 0.512 50 0 ACAARO Cc1nnc(NCC[NH3+])s1 19737179 343059943 /nfs/dbraw/zinc/05/99/43/343059943.db2.gz OQOZKSBXZRPLKA-UHFFFAOYSA-N 1 0 158.230 0.217 50 0 ACAARO C[C@H](C[NH3+])C(=O)OC(C)(C)C 19738630 343059959 /nfs/dbraw/zinc/05/99/59/343059959.db2.gz ZCDAFFAFDGDAGL-ZCFIWIBFSA-N 1 0 159.229 0.923 50 0 in-vitro ACAARO CC[C@H](C)[NH2+]CCC(=O)NC 19737011 343060005 /nfs/dbraw/zinc/06/00/05/343060005.db2.gz MCLWFHNCWWQPSP-ZETCQYMHSA-N 1 0 158.245 0.511 50 0 ACAARO CNC(=O)CC[NH2+]Cc1cccnc1 19737024 343060007 /nfs/dbraw/zinc/06/00/07/343060007.db2.gz NVWNLSPWFUKHIH-UHFFFAOYSA-N 1 0 193.250 0.307 50 0 ACAARO CN(C)c1cc[nH+]cc1N 19763686 343060013 /nfs/dbraw/zinc/06/00/13/343060013.db2.gz MATHJYKIAVEEOL-UHFFFAOYSA-N 1 0 137.186 0.730 50 0 ACAARO C[C@H]1Nc2cc[nH+]cc2NC1=O 19763832 343060053 /nfs/dbraw/zinc/06/00/53/343060053.db2.gz QMYSSJDBKNGLKT-RXMQYKEDSA-N 1 0 163.180 0.834 50 0 in-vitro ACAARO CNC(=O)[C@@]1(C)CCC[NH2+]C1 19749402 343060069 /nfs/dbraw/zinc/06/00/69/343060069.db2.gz QLWFXVDKQVJTGS-QMMMGPOBSA-N 1 0 156.229 0.122 50 0 in-vitro ACAARO Cc1c(CN2CC[NH2+]CC2)cnn1C 19737259 343060076 /nfs/dbraw/zinc/06/00/76/343060076.db2.gz JRFJHJWOHLJXCK-UHFFFAOYSA-N 1 0 194.282 0.134 50 0 in-vitro ACAARO CN(C)C(C)(C)C[NH3+] 19795797 343060299 /nfs/dbraw/zinc/06/02/99/343060299.db2.gz PKZCRWFNSBIBEW-UHFFFAOYSA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO CC1(CC[NH3+])OCCO1 19779167 343060396 /nfs/dbraw/zinc/06/03/96/343060396.db2.gz GVVWCRQQBUQLMZ-UHFFFAOYSA-N 1 0 131.175 0.098 50 0 in-vitro ACAARO CN(C)CC(C)(C)[NH+](C)C 19798459 343060953 /nfs/dbraw/zinc/06/09/53/343060953.db2.gz IHOVNUMTDBCBAJ-UHFFFAOYSA-N 1 0 144.262 0.888 50 0 ACAARO C[NH+]1CCN(Cc2cccnc2)CC1 19810227 343060839 /nfs/dbraw/zinc/06/08/39/343060839.db2.gz ZKLUNOGQZQZPGA-UHFFFAOYSA-N 1 0 191.278 0.829 50 0 ACAARO CCCNC(=O)[C@H]([NH3+])C(C)C 19802715 343060872 /nfs/dbraw/zinc/06/08/72/343060872.db2.gz ZJBQYKNGNZERTC-SSDOTTSWSA-N 1 0 158.245 0.496 50 0 ACAARO C[C@H]1C[NH2+]C[C@H](C)N1C1CC1 19801201 343060932 /nfs/dbraw/zinc/06/09/32/343060932.db2.gz CXULSVFOEQUSKU-YUMQZZPRSA-N 1 0 154.257 0.831 50 0 ACAARO C[NH2+]CC(=O)Nc1cccc(C)n1 19814010 343061199 /nfs/dbraw/zinc/06/11/99/343061199.db2.gz RFNHHYNATRILNG-UHFFFAOYSA-N 1 0 179.223 0.548 50 0 ACAARO CN(CCC[NH3+])C(=O)C1CCC1 19833863 343061253 /nfs/dbraw/zinc/06/12/53/343061253.db2.gz GBRIYBSKTHYJJE-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO C[NH2+]CC(=O)N(C)c1ccccn1 19814208 343061341 /nfs/dbraw/zinc/06/13/41/343061341.db2.gz NMGYUUWTXRESMX-UHFFFAOYSA-N 1 0 179.223 0.264 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1ccc(C)cn1 19814040 343061426 /nfs/dbraw/zinc/06/14/26/343061426.db2.gz PREWFIYFJIZHFL-UHFFFAOYSA-N 1 0 179.223 0.548 50 0 ACAARO CC(C)NC(=O)N1CC[NH2+]CC1 19815526 343061566 /nfs/dbraw/zinc/06/15/66/343061566.db2.gz JJRVDRJMXJJPDM-UHFFFAOYSA-N 1 0 171.244 0.010 50 0 in-vitro ACAARO C[NH+](C)CCn1cc(N)cn1 19810540 343061574 /nfs/dbraw/zinc/06/15/74/343061574.db2.gz DDAAGLMJYOHBDU-UHFFFAOYSA-N 1 0 154.217 0.027 50 0 ACAARO Cc1ccc(NC(=O)CC[NH3+])nc1 19813128 343061592 /nfs/dbraw/zinc/06/15/92/343061592.db2.gz IARIRGFUMANBAM-UHFFFAOYSA-N 1 0 179.223 0.677 50 0 ACAARO CC(C)[N@@H+]1CCC[C@H]1CN 19843294 343061866 /nfs/dbraw/zinc/06/18/66/343061866.db2.gz GDRVIRMOAGAAGC-QMMMGPOBSA-N 1 0 142.246 0.818 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 19842599 343062169 /nfs/dbraw/zinc/06/21/69/343062169.db2.gz TVMDKCSLHDNETL-YFKPBYRVSA-N 1 0 177.207 0.876 50 0 in-vitro ACAARO CN(CCc1ccccn1)C(=O)C[NH3+] 19844207 343061927 /nfs/dbraw/zinc/06/19/27/343061927.db2.gz UARNXSMQUXNNEP-UHFFFAOYSA-N 1 0 193.250 0.041 50 0 in-vitro ACAARO CN(C)C1(C[NH3+])CCOCC1 19850996 343061938 /nfs/dbraw/zinc/06/19/38/343061938.db2.gz KCLFWPREWYWLTP-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CN(CCC[NH3+])CC(F)(F)F 19834717 343062086 /nfs/dbraw/zinc/06/20/86/343062086.db2.gz ZBYHEAZATJKSFM-UHFFFAOYSA-N 1 0 170.178 0.829 50 0 ACAARO C[NH2+]CC(=O)Nc1cc(C)ccn1 19844240 343062123 /nfs/dbraw/zinc/06/21/23/343062123.db2.gz MKMXMYQLOQBORD-UHFFFAOYSA-N 1 0 179.223 0.548 50 0 in-vitro ACAARO CC(C)[NH+]1CCOCC1 19872674 343062328 /nfs/dbraw/zinc/06/23/28/343062328.db2.gz XLZMWNWNBXSZKF-UHFFFAOYSA-N 1 0 129.203 0.727 50 0 ACAARO CC(C)[C@H]([NH3+])CN1CCOCC1 19852430 343062375 /nfs/dbraw/zinc/06/23/75/343062375.db2.gz ALZXZHUXSVMNLQ-SECBINFHSA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCS1 19875245 343062670 /nfs/dbraw/zinc/06/26/70/343062670.db2.gz MHHCLPHGZOISFK-YFKPBYRVSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO Cc1ccc(C[NH3+])nc1 20357695 343071959 /nfs/dbraw/zinc/07/19/59/343071959.db2.gz NXTVBKWLOZSCQE-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO C[C@@]12CC[C@@H](O1)[C@@H]1C[NH2+]C[C@@H]12 19899113 343063610 /nfs/dbraw/zinc/06/36/10/343063610.db2.gz FYLPMLURDDXKQU-XAVMHZPKSA-N 1 0 153.225 0.773 50 0 ACAARO C[NH2+]CC1CC1 20037429 343066272 /nfs/dbraw/zinc/06/62/72/343066272.db2.gz BFPMCZWKUSUMKE-UHFFFAOYSA-N 1 0 85.150 0.616 50 0 in-vitro ACAARO Cc1nn(C)cc1CN1CC[NH2+]CC1 20045657 343066283 /nfs/dbraw/zinc/06/62/83/343066283.db2.gz DAGWFQZOVZCPGT-UHFFFAOYSA-N 1 0 194.282 0.134 50 0 in-vitro ACAARO CNC(=O)C[NH2+]Cc1ccccc1 20038338 343066289 /nfs/dbraw/zinc/06/62/89/343066289.db2.gz DIVDOIBIQCYJML-UHFFFAOYSA-N 1 0 178.235 0.522 50 0 ACAARO CN(C)C(=O)C[NH2+]CC1CC1 20037472 343066321 /nfs/dbraw/zinc/06/63/21/343066321.db2.gz AGNBVOXNVSLNLT-UHFFFAOYSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO C[NH2+]CCN1C[C@H](C)O[C@@H](C)C1 20071783 343066624 /nfs/dbraw/zinc/06/66/24/343066624.db2.gz ZAMMKCCLXWJERE-IUCAKERBSA-N 1 0 172.272 0.315 50 0 ACAARO CC(C)[C@H]([NH3+])CN(C)C 20074029 343066642 /nfs/dbraw/zinc/06/66/42/343066642.db2.gz ZKUQESYHKKBVDE-SSDOTTSWSA-N 1 0 130.235 0.531 50 0 in-vitro ACAARO C[NH+](C)CCNCC(F)(F)F 20056930 343066646 /nfs/dbraw/zinc/06/66/46/343066646.db2.gz XNVDYEHMNIUSNW-UHFFFAOYSA-N 1 0 170.178 0.700 50 0 ACAARO CN(C)CC[NH2+]C(C)(C)C 20056736 343066730 /nfs/dbraw/zinc/06/67/30/343066730.db2.gz XGPPSKSOIFNAMM-UHFFFAOYSA-N 1 0 144.262 0.936 50 0 ACAARO CC(C)[C@@H]([NH3+])CN1CCOCC1 20071451 343066739 /nfs/dbraw/zinc/06/67/39/343066739.db2.gz ALZXZHUXSVMNLQ-VIFPVBQESA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1cnn(C)c1 20074850 343067176 /nfs/dbraw/zinc/06/71/76/343067176.db2.gz UECWYYHRNMAMOT-LURJTMIESA-N 1 0 139.202 0.310 50 0 in-vitro ACAARO CCC[NH2+]Cc1cnn(C)c1 20074887 343067291 /nfs/dbraw/zinc/06/72/91/343067291.db2.gz IASSGUCHCVUBGG-UHFFFAOYSA-N 1 0 153.229 0.920 50 0 in-vitro ACAARO C[NH2+]CCCSC 20083799 343067348 /nfs/dbraw/zinc/06/73/48/343067348.db2.gz BGZYZJSBQPNKKC-UHFFFAOYSA-N 1 0 119.233 0.959 50 0 in-vitro ACAARO Cc1ccn([C@@H](C)C[NH3+])n1 20104074 343067607 /nfs/dbraw/zinc/06/76/07/343067607.db2.gz FKIOXNYIENVQGX-ZETCQYMHSA-N 1 0 139.202 0.711 50 0 ACAARO Cc1ccn([C@H](C)C[NH3+])n1 20104076 343067817 /nfs/dbraw/zinc/06/78/17/343067817.db2.gz FKIOXNYIENVQGX-SSDOTTSWSA-N 1 0 139.202 0.711 50 0 ACAARO Cc1ccnc([C@@H](C)[NH3+])n1 20441623 343073618 /nfs/dbraw/zinc/07/36/18/343073618.db2.gz SSYSTZPVHCQERL-ZCFIWIBFSA-N 1 0 137.186 0.805 50 0 ACAARO CCCC[NH2+]CCCO 20188309 343068642 /nfs/dbraw/zinc/06/86/42/343068642.db2.gz PQSKSJLILUQYQM-UHFFFAOYSA-N 1 0 131.219 0.759 50 0 in-vitro ACAARO CCC(=O)N1CCC(C[NH3+])CC1 20182458 343068697 /nfs/dbraw/zinc/06/86/97/343068697.db2.gz HRFYOUQWSWGLOV-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO CC(C)[NH2+]C(C)(C)CO 20196540 343068952 /nfs/dbraw/zinc/06/89/52/343068952.db2.gz WZSRNAWJDQGJEY-UHFFFAOYSA-N 1 0 131.219 0.755 50 0 in-vitro ACAARO CN(C)c1ncccc1C[NH3+] 20215608 343069380 /nfs/dbraw/zinc/06/93/80/343069380.db2.gz LRMLNAXJNYRHHZ-UHFFFAOYSA-N 1 0 151.213 0.606 50 0 in-vitro ACAARO CC(C)NC(=O)N1CCC([NH3+])CC1 20209035 343069468 /nfs/dbraw/zinc/06/94/68/343069468.db2.gz VBLJLRMYLYQOBU-UHFFFAOYSA-N 1 0 185.271 0.528 50 0 ACAARO CC(C)NC(=O)N[C@H]1CCC[NH2+]C1 20209424 343069498 /nfs/dbraw/zinc/06/94/98/343069498.db2.gz MTBPWAKLDMVDLC-QMMMGPOBSA-N 1 0 185.271 0.446 50 0 ACAARO Cc1cc(C(=O)N2CC[NH2+]CC2)on1 20248613 343070002 /nfs/dbraw/zinc/07/00/02/343070002.db2.gz SATHFFVJBZFYBM-UHFFFAOYSA-N 1 0 195.222 0.028 50 0 ACAARO Cc1ccc(C(=O)N2CC[NH2+]CC2)o1 20248621 343070095 /nfs/dbraw/zinc/07/00/95/343070095.db2.gz ABYZLSXCMLRWPK-UHFFFAOYSA-N 1 0 194.234 0.633 50 0 in-vitro ACAARO Cc1ccc(C[C@@H]([NH3+])CO)cc1 20268020 343070234 /nfs/dbraw/zinc/07/02/34/343070234.db2.gz KGABCHNHTDSRSH-SNVBAGLBSA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO Cc1ccc(C[C@H]([NH3+])CO)cc1 20268021 343070291 /nfs/dbraw/zinc/07/02/91/343070291.db2.gz KGABCHNHTDSRSH-JTQLQIEISA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO C[C@H]([NH3+])COCC1CC1 20263886 343070346 /nfs/dbraw/zinc/07/03/46/343070346.db2.gz FNXWTKFVVBBDMH-LURJTMIESA-N 1 0 129.203 0.760 50 0 ACAARO Cc1cccc(C[C@H]([NH3+])CO)c1 20268019 343070348 /nfs/dbraw/zinc/07/03/48/343070348.db2.gz LRFALADONHGHFP-JTQLQIEISA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO Cc1cc(CN2CCC[NH2+]CC2)no1 20253473 343070504 /nfs/dbraw/zinc/07/05/04/343070504.db2.gz GJJDFSWVMGWFQG-UHFFFAOYSA-N 1 0 195.266 0.778 50 0 ACAARO Cc1nc(CN2CCC[NH2+]CC2)no1 20253479 343070506 /nfs/dbraw/zinc/07/05/06/343070506.db2.gz WBDDBSZQMBCCSI-UHFFFAOYSA-N 1 0 196.254 0.173 50 0 in-vitro ACAARO Cc1cccc(C[C@@H]([NH3+])CO)c1 20268017 343070507 /nfs/dbraw/zinc/07/05/07/343070507.db2.gz LRFALADONHGHFP-SNVBAGLBSA-N 1 0 165.236 0.857 50 0 in-vitro ACAARO C[C@H]1CO[C@H](C)C[NH2+]1 20282330 343070715 /nfs/dbraw/zinc/07/07/15/343070715.db2.gz RPSYMAMREDJAES-NTSWFWBYSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CC[C@@H](CN)[NH+]1CCCC1 20283437 343070734 /nfs/dbraw/zinc/07/07/34/343070734.db2.gz WMFCMIRCRKQLRO-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CNC(=O)c1ccc(C[NH3+])cc1 20282339 343070816 /nfs/dbraw/zinc/07/08/16/343070816.db2.gz XRVLSHWAKUDIPM-UHFFFAOYSA-N 1 0 164.208 0.505 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1[C@@H](O)C[NH3+] 20283345 343070818 /nfs/dbraw/zinc/07/08/18/343070818.db2.gz STPGKUVSQGDNCN-ZETCQYMHSA-N 1 0 169.228 0.029 50 0 ACAARO C[C@H]1CO[C@@H](C)C[NH2+]1 20282320 343070838 /nfs/dbraw/zinc/07/08/38/343070838.db2.gz RPSYMAMREDJAES-WDSKDSINSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CN(C)c1ccc(C[NH3+])cn1 20283016 343070845 /nfs/dbraw/zinc/07/08/45/343070845.db2.gz YJIDKQVYACIBPR-UHFFFAOYSA-N 1 0 151.213 0.606 50 0 ACAARO Cc1nc(C)c(C[NH3+])c(C)n1 20274297 343070892 /nfs/dbraw/zinc/07/08/92/343070892.db2.gz BGQDMYHHPFXIPJ-UHFFFAOYSA-N 1 0 151.213 0.861 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](O)C(F)(F)F 20281101 343070902 /nfs/dbraw/zinc/07/09/02/343070902.db2.gz PJGFUIQQJUBRHI-STHAYSLISA-N 1 0 143.108 0.257 50 0 in-vitro ACAARO CC(C)c1nnc(N2CC[NH2+]CC2)o1 20270614 343070912 /nfs/dbraw/zinc/07/09/12/343070912.db2.gz IQGYCJGHHHJXEF-UHFFFAOYSA-N 1 0 196.254 0.603 50 0 ACAARO CCc1nnc2sc(CC[NH3+])nn12 20272939 343070919 /nfs/dbraw/zinc/07/09/19/343070919.db2.gz DPZDPJMIXUOYHN-UHFFFAOYSA-N 1 0 197.267 0.249 50 0 ACAARO CCc1nnc(N2CC[NH2+]CC2)o1 20270613 343070922 /nfs/dbraw/zinc/07/09/22/343070922.db2.gz LXZHDYUUZFQRQX-UHFFFAOYSA-N 1 0 182.227 0.042 50 0 ACAARO CC1(C)C[NH2+]CCCO1 20269605 343070940 /nfs/dbraw/zinc/07/09/40/343070940.db2.gz ADFKBIVEFNFOFT-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO Cc1ncc2c(n1)CC[C@H]([NH3+])C2 20281040 343070942 /nfs/dbraw/zinc/07/09/42/343070942.db2.gz LAUKEOJVUNGGAN-QMMMGPOBSA-N 1 0 163.224 0.601 50 0 in-vitro ACAARO CN(C)C(=O)c1cccc(C[NH3+])c1 20282784 343070952 /nfs/dbraw/zinc/07/09/52/343070952.db2.gz WONKHTATCMFVOA-UHFFFAOYSA-N 1 0 178.235 0.847 50 0 in-vitro ACAARO C[NH+](C)CCNc1ncccc1N 20278694 343070997 /nfs/dbraw/zinc/07/09/97/343070997.db2.gz PQGRFOOHSZILMA-UHFFFAOYSA-N 1 0 180.255 0.637 50 0 ACAARO C[C@H]([NH3+])C(=O)C(F)(F)F 20285517 343071035 /nfs/dbraw/zinc/07/10/35/343071035.db2.gz XDSRRWBHHSHTGP-REOHCLBHSA-N 1 0 141.092 0.465 50 0 ACAARO C[C@H]1C[C@@H]1C(=O)N1CC[NH2+]CC1 20284249 343071074 /nfs/dbraw/zinc/07/10/74/343071074.db2.gz SMLHLXHCIJUNJT-YUMQZZPRSA-N 1 0 168.240 0.074 50 0 in-vitro ACAARO C[C@H]1C[C@H]1C(=O)N1CC[NH2+]CC1 20284255 343071197 /nfs/dbraw/zinc/07/11/97/343071197.db2.gz SMLHLXHCIJUNJT-JGVFFNPUSA-N 1 0 168.240 0.074 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])[C@H](O)C(F)(F)F 20285509 343071233 /nfs/dbraw/zinc/07/12/33/343071233.db2.gz CXXBVHOIDJALEU-WHFBIAKZSA-N 1 0 171.162 0.893 50 0 ACAARO CC[C@H](CN)[NH+]1CCCC1 20283440 343071257 /nfs/dbraw/zinc/07/12/57/343071257.db2.gz WMFCMIRCRKQLRO-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO Cc1ncc2c(n1)CC[NH2+]C2 20286071 343071321 /nfs/dbraw/zinc/07/13/21/343071321.db2.gz WFGUTPUYXDVQLK-UHFFFAOYSA-N 1 0 149.197 0.431 50 0 in-vitro ACAARO C[n+]1ccn(C(=O)N2CCCCC2)c1 20283509 343071346 /nfs/dbraw/zinc/07/13/46/343071346.db2.gz CXWXUODVWFHYTJ-UHFFFAOYSA-N 1 0 194.258 0.767 50 0 ACAARO CN(C)c1cc(C[NH3+])ccn1 20283786 343071349 /nfs/dbraw/zinc/07/13/49/343071349.db2.gz FVBLFJODKIHJMW-UHFFFAOYSA-N 1 0 151.213 0.606 50 0 in-vitro ACAARO C[n+]1ccn(C(=O)N2CCCC2)c1 20283527 343071419 /nfs/dbraw/zinc/07/14/19/343071419.db2.gz PODWMXCHDRZEPN-UHFFFAOYSA-N 1 0 180.231 0.377 50 0 ACAARO CC(C)[C@H]([NH3+])[C@@H](O)C(F)(F)F 20285503 343071426 /nfs/dbraw/zinc/07/14/26/343071426.db2.gz CXXBVHOIDJALEU-CRCLSJGQSA-N 1 0 171.162 0.893 50 0 ACAARO CC(C)[C@@H](C)[NH2+]CC(=O)N(C)C 20309705 343071461 /nfs/dbraw/zinc/07/14/61/343071461.db2.gz JKLNBYATHUCZGY-MRVPVSSYSA-N 1 0 172.272 0.709 50 0 ACAARO CC(C)[C@H](C)[NH2+]CC(=O)N(C)C 20309708 343071648 /nfs/dbraw/zinc/07/16/48/343071648.db2.gz JKLNBYATHUCZGY-QMMMGPOBSA-N 1 0 172.272 0.709 50 0 ACAARO CC1(C)C[NH2+]C1 20380833 343072303 /nfs/dbraw/zinc/07/23/03/343072303.db2.gz RLVVIGIYIMDCAU-UHFFFAOYSA-N 1 0 85.150 0.616 50 0 in-vitro ACAARO Cc1cc(C[NH3+])nc(N(C)C)n1 20383565 343072415 /nfs/dbraw/zinc/07/24/15/343072415.db2.gz QUTNNKVOFOZWEM-UHFFFAOYSA-N 1 0 166.228 0.310 50 0 in-vitro ACAARO C[N@@H+]1CCNCC12CCCC2 20381083 343072468 /nfs/dbraw/zinc/07/24/68/343072468.db2.gz QTTCFJXNEWPIQU-UHFFFAOYSA-N 1 0 154.257 0.834 50 0 ACAARO C[C@H]1CC[NH2+]1 20380829 343072426 /nfs/dbraw/zinc/07/24/26/343072426.db2.gz DLBWPRNUXWYLRN-BYPYZUCNSA-N 1 0 71.123 0.368 50 0 ACAARO Cc1nccnc1C[NH3+] 20418236 343072649 /nfs/dbraw/zinc/07/26/49/343072649.db2.gz UTUQJIYKGCKQHD-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO C[C@@]1(O)CCCC[NH2+]C1 20417513 343072791 /nfs/dbraw/zinc/07/27/91/343072791.db2.gz PCLHMPWNWSQJIK-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 ACAARO Cc1nccnc1[C@@H](C)[NH3+] 20418005 343072895 /nfs/dbraw/zinc/07/28/95/343072895.db2.gz ZSXDATROELJNEU-RXMQYKEDSA-N 1 0 137.186 0.805 50 0 ACAARO C[C@H]([NH3+])c1ccno1 20417860 343072926 /nfs/dbraw/zinc/07/29/26/343072926.db2.gz NEUUDZFNGAFNIO-BYPYZUCNSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO C[C@H]([NH3+])c1cnco1 20417896 343072942 /nfs/dbraw/zinc/07/29/42/343072942.db2.gz GOADWLCEMFNDHJ-BYPYZUCNSA-N 1 0 112.132 0.694 50 0 in-vitro ACAARO Cc1cc(C[NH3+])ncn1 20388253 343072949 /nfs/dbraw/zinc/07/29/49/343072949.db2.gz ZYQONZLGCFLFIG-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CC1=NO[C@H](C[NH3+])C1 20439513 343073136 /nfs/dbraw/zinc/07/31/36/343073136.db2.gz WGEHEKHOMIDZQR-YFKPBYRVSA-N 1 0 114.148 0.110 50 0 in-vitro ACAARO C[N@@H+]1CCCCC[C@H]1CN 20441432 343073145 /nfs/dbraw/zinc/07/31/45/343073145.db2.gz VCBLNAMNSRVRGZ-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 ACAARO CC1=NO[C@@H](C[NH3+])C1 20439509 343073167 /nfs/dbraw/zinc/07/31/67/343073167.db2.gz WGEHEKHOMIDZQR-RXMQYKEDSA-N 1 0 114.148 0.110 50 0 in-vitro ACAARO Cc1ncc(C[NH3+])cn1 20439187 343073240 /nfs/dbraw/zinc/07/32/40/343073240.db2.gz OYRGKUTZSTXSQS-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO Cc1nc(C[NH3+])c[nH]1 20441502 343073548 /nfs/dbraw/zinc/07/35/48/343073548.db2.gz CVGDNOXAJIGIFQ-UHFFFAOYSA-N 1 0 111.148 0.177 50 0 ACAARO Cc1nc(CC[NH3+])cn1C 20439107 343073352 /nfs/dbraw/zinc/07/33/52/343073352.db2.gz NMQWLKHTPPDRDT-UHFFFAOYSA-N 1 0 139.202 0.230 50 0 ACAARO CN(C)c1nc(C[NH3+])cs1 20439873 343073397 /nfs/dbraw/zinc/07/33/97/343073397.db2.gz IOXPXNBQZCSGME-UHFFFAOYSA-N 1 0 157.242 0.668 50 0 in-vitro ACAARO CCC1(O)CC[NH2+]CC1 20439023 343073402 /nfs/dbraw/zinc/07/34/02/343073402.db2.gz HLKJSNPSNJCJCC-UHFFFAOYSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO Cc1ccc(C[NH3+])c(=O)[nH]1 20438787 343073408 /nfs/dbraw/zinc/07/34/08/343073408.db2.gz JQXJUWBJDXAIEA-UHFFFAOYSA-N 1 0 138.170 0.142 50 0 in-vitro ACAARO CN(C)Cc1csc(C[NH3+])n1 20439916 343073421 /nfs/dbraw/zinc/07/34/21/343073421.db2.gz GNBOXFIXAMQUFL-UHFFFAOYSA-N 1 0 171.269 0.663 50 0 ACAARO Cc1n[nH]c2c1C[NH2+]C2 20441128 343073430 /nfs/dbraw/zinc/07/34/30/343073430.db2.gz BRIYFUKTRQTBLR-UHFFFAOYSA-N 1 0 123.159 0.321 50 0 in-vitro ACAARO O=C1NCCN1CC1CC[NH2+]CC1 20439812 343073441 /nfs/dbraw/zinc/07/34/41/343073441.db2.gz DDZKJABMNDXCHE-UHFFFAOYSA-N 1 0 183.255 0.011 50 0 ACAARO CC(C)n1cncc1C[NH3+] 20440727 343073460 /nfs/dbraw/zinc/07/34/60/343073460.db2.gz MXUAITAQQWCJAR-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 ACAARO C[N@@H+]1CCCCC[C@@H]1CN 20441428 343073508 /nfs/dbraw/zinc/07/35/08/343073508.db2.gz VCBLNAMNSRVRGZ-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 ACAARO CNC(=O)C1=CC(C)(C)[NH2+]C1(C)C 20494161 343073818 /nfs/dbraw/zinc/07/38/18/343073818.db2.gz KFINLKGFGRJYMY-UHFFFAOYSA-N 1 0 182.267 0.819 50 0 ACAARO C[C@H]([NH3+])Cc1cccn1C 20520743 343073890 /nfs/dbraw/zinc/07/38/90/343073890.db2.gz MTLXTAIUWACVSW-ZETCQYMHSA-N 1 0 138.214 0.915 50 0 in-vitro ACAARO C[C@]([NH3+])(C(N)=O)c1ccccc1 20506669 343073969 /nfs/dbraw/zinc/07/39/69/343073969.db2.gz HGKUPDZBTAQFGJ-SECBINFHSA-N 1 0 164.208 0.346 50 0 in-vitro ACAARO C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 20496162 343074014 /nfs/dbraw/zinc/07/40/14/343074014.db2.gz GCZYPZFTBNDVMF-UHFFFAOYSA-N 1 0 196.294 0.951 50 0 ACAARO C[NH+](C)CC(C)(C)CNC(N)=S 20586244 343074249 /nfs/dbraw/zinc/07/42/49/343074249.db2.gz GJYPZDJSYRBASI-UHFFFAOYSA-N 1 0 189.328 0.407 50 0 in-vitro ACAARO C[C@H]1C[NH2+]Cc2cncnc21 20973376 343074655 /nfs/dbraw/zinc/07/46/55/343074655.db2.gz GPEPSROJJDAKPD-LURJTMIESA-N 1 0 149.197 0.683 50 0 ACAARO C[C@H]1CN(C2CC2)C[C@@H]1[NH3+] 20775031 343074733 /nfs/dbraw/zinc/07/47/33/343074733.db2.gz KJSCOXHVQCIXQY-XPUUQOCRSA-N 1 0 140.230 0.428 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]Cc2cncnc21 20973371 343074798 /nfs/dbraw/zinc/07/47/98/343074798.db2.gz GPEPSROJJDAKPD-ZCFIWIBFSA-N 1 0 149.197 0.683 50 0 ACAARO C[NH+](C)CCNc1ncccn1 21009509 343075276 /nfs/dbraw/zinc/07/52/76/343075276.db2.gz SVSHSGMJDGVZGF-UHFFFAOYSA-N 1 0 166.228 0.450 50 0 ACAARO CN(C(=O)OC(C)(C)C)C1C[NH2+]C1 21302788 343075297 /nfs/dbraw/zinc/07/52/97/343075297.db2.gz LHUFQYUQIUJJIB-UHFFFAOYSA-N 1 0 186.255 0.825 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CCN1C 21953064 343075934 /nfs/dbraw/zinc/07/59/34/343075934.db2.gz AWZLXVAPLHUDSY-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO Cc1ccc([C@H](O)C[NH3+])o1 21949781 343075957 /nfs/dbraw/zinc/07/59/57/343075957.db2.gz LOUYNTQIAKVVPZ-ZCFIWIBFSA-N 1 0 141.170 0.580 50 0 in-vitro ACAARO CCc1noc(CCC[NH3+])n1 21949893 343075984 /nfs/dbraw/zinc/07/59/84/343075984.db2.gz AFCWQEAVQHGZHX-UHFFFAOYSA-N 1 0 155.201 0.523 50 0 ACAARO CC(C)[N@@H+]1CCNC[C@H]1C 21953072 343075999 /nfs/dbraw/zinc/07/59/99/343075999.db2.gz GGROKFCODOVWLX-MRVPVSSYSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO Cc1noc(CCC[NH3+])n1 21949711 343076051 /nfs/dbraw/zinc/07/60/51/343076051.db2.gz YEKKCMQUYOKDQD-UHFFFAOYSA-N 1 0 141.174 0.269 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]CCN1C 21953066 343076064 /nfs/dbraw/zinc/07/60/64/343076064.db2.gz AWZLXVAPLHUDSY-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO Cc1ccc([C@@H](O)C[NH3+])o1 21949779 343076195 /nfs/dbraw/zinc/07/61/95/343076195.db2.gz LOUYNTQIAKVVPZ-LURJTMIESA-N 1 0 141.170 0.580 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCNC[C@@H]1C 21953069 343076207 /nfs/dbraw/zinc/07/62/07/343076207.db2.gz GGROKFCODOVWLX-QMMMGPOBSA-N 1 0 142.246 0.689 50 0 in-vitro ACAARO CC(C)[NH2+]CCN(C)C 21953840 343076294 /nfs/dbraw/zinc/07/62/94/343076294.db2.gz QXPRMANJAMOFLQ-UHFFFAOYSA-N 1 0 130.235 0.546 50 0 in-vitro ACAARO CCC1=NO[C@H](C[NH3+])C1 21953382 343076523 /nfs/dbraw/zinc/07/65/23/343076523.db2.gz OSTRPKKMBVWFFI-LURJTMIESA-N 1 0 128.175 0.500 50 0 in-vitro ACAARO CCC1=NO[C@@H](C[NH3+])C1 21953379 343076559 /nfs/dbraw/zinc/07/65/59/343076559.db2.gz OSTRPKKMBVWFFI-ZCFIWIBFSA-N 1 0 128.175 0.500 50 0 in-vitro ACAARO CCc1n[nH]c2c1C[NH2+]CC2 21953415 343076573 /nfs/dbraw/zinc/07/65/73/343076573.db2.gz ZLDCRTPWKGHTNK-UHFFFAOYSA-N 1 0 151.213 0.618 50 0 ACAARO Cc1c[nH+]c(N)c(O)c1 21981859 343076707 /nfs/dbraw/zinc/07/67/07/343076707.db2.gz NZCYFNHOHNHFBF-UHFFFAOYSA-N 1 0 124.143 0.678 50 0 ACAARO C[NH2+]CCCn1ccnc1 21993552 343077218 /nfs/dbraw/zinc/07/72/18/343077218.db2.gz ZPMDRIAJBDFGCZ-UHFFFAOYSA-N 1 0 139.202 0.493 50 0 in-vitro ACAARO CN1C[C@H]2[NH2+]CCC[C@@H]2C1 22015851 343077639 /nfs/dbraw/zinc/07/76/39/343077639.db2.gz ACSQOHDWJKTBRH-HTQZYQBOSA-N 1 0 140.230 0.300 50 0 ACAARO CC(C)[C@@H]1CNCC[NH2+]1 22000562 343077696 /nfs/dbraw/zinc/07/76/96/343077696.db2.gz HBCSNWKQNPKIHK-ZETCQYMHSA-N 1 0 128.219 0.204 50 0 in-vitro ACAARO C[NH+](C)Cn1ccnc1 22000980 343077734 /nfs/dbraw/zinc/07/77/34/343077734.db2.gz VANQIHUBDZAOOM-UHFFFAOYSA-N 1 0 125.175 0.402 50 0 ACAARO CN1C[C@@H]2CCC[NH2+][C@@H]2C1 22015847 343077799 /nfs/dbraw/zinc/07/77/99/343077799.db2.gz ACSQOHDWJKTBRH-JGVFFNPUSA-N 1 0 140.230 0.300 50 0 ACAARO C[C@H](NCC[NH3+])c1ccco1 22032727 343078176 /nfs/dbraw/zinc/07/81/76/343078176.db2.gz TWZNTMNSIZCMKH-ZETCQYMHSA-N 1 0 154.213 0.889 50 0 ACAARO CNC(=O)COc1ccc(C[NH3+])cc1 22143004 343079181 /nfs/dbraw/zinc/07/91/81/343079181.db2.gz FHHCAEQUMYZSAV-UHFFFAOYSA-N 1 0 194.234 0.270 50 0 ACAARO C[C@H]1NCC[N@@H+]2CCC[C@H]12 22594464 343081682 /nfs/dbraw/zinc/08/16/82/343081682.db2.gz JTFHNFCIQLHQAY-HTQZYQBOSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO CC[C@H](C)NC(=O)CC[NH3+] 22173373 343080124 /nfs/dbraw/zinc/08/01/24/343080124.db2.gz UOZOLZSKMCSZIW-LURJTMIESA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CC(C)N(C)CC[NH3+] 22172146 343080136 /nfs/dbraw/zinc/08/01/36/343080136.db2.gz QZNLXSYPOLTMIP-UHFFFAOYSA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO CC1(C)[NH2+][C@H]2CCCC[C@H]2NC1=O 22173958 343080171 /nfs/dbraw/zinc/08/01/71/343080171.db2.gz WCIJYVHCHODWEJ-SFYZADRCSA-N 1 0 182.267 0.796 50 0 in-vitro ACAARO CC1(C)[NH2+][C@H]2CCCC[C@@H]2NC1=O 22173952 343080218 /nfs/dbraw/zinc/08/02/18/343080218.db2.gz WCIJYVHCHODWEJ-YUMQZZPRSA-N 1 0 182.267 0.796 50 0 in-vitro ACAARO CC1(C)[NH2+][C@@H]2CCCC[C@H]2NC1=O 22173955 343080353 /nfs/dbraw/zinc/08/03/53/343080353.db2.gz WCIJYVHCHODWEJ-HTQZYQBOSA-N 1 0 182.267 0.796 50 0 in-vitro ACAARO C[NH2+]C1CCC2(CC1)OCCO2 22177259 343080367 /nfs/dbraw/zinc/08/03/67/343080367.db2.gz NRVBOSMTPWJVIF-UHFFFAOYSA-N 1 0 171.240 0.892 50 0 ACAARO CCC[NH2+]CCN(C)C 22177789 343080373 /nfs/dbraw/zinc/08/03/73/343080373.db2.gz OMCJDNIHQAGLEM-UHFFFAOYSA-N 1 0 130.235 0.548 50 0 in-vitro ACAARO Cc1ccc(C(=O)NCC[NH3+])cn1 22222524 343081086 /nfs/dbraw/zinc/08/10/86/343081086.db2.gz SUUXBDMZMSAUQS-UHFFFAOYSA-N 1 0 179.223 0.079 50 0 ACAARO CC1(C)C[C@]2(CCO1)C[NH2+]CCN2 22455938 343081468 /nfs/dbraw/zinc/08/14/68/343081468.db2.gz SRORHJOLXOKEPW-SNVBAGLBSA-N 1 0 184.283 0.507 50 0 biogenic ACAARO CC1(C)C[C@@]2(CCO1)C[NH2+]CCN2 22455933 343081479 /nfs/dbraw/zinc/08/14/79/343081479.db2.gz SRORHJOLXOKEPW-JTQLQIEISA-N 1 0 184.283 0.507 50 0 biogenic ACAARO CN1CC[NH+]([C@H]2CCSC2)CC1 22586947 343081590 /nfs/dbraw/zinc/08/15/90/343081590.db2.gz HLTFNMSHGMDKJD-VIFPVBQESA-N 1 0 186.324 0.739 50 0 ACAARO C[C@H](C1CC1)[NH+]1CCNCC1 22581861 343081740 /nfs/dbraw/zinc/08/17/40/343081740.db2.gz AXJIJAULSKAVAR-MRVPVSSYSA-N 1 0 154.257 0.690 50 0 in-vitro ACAARO C[C@H]([NH3+])COCC(F)(F)F 22562643 343081791 /nfs/dbraw/zinc/08/17/91/343081791.db2.gz MIBKGSONRCOKNX-BYPYZUCNSA-N 1 0 157.135 0.913 50 0 in-vitro ACAARO CC(C)[NH+]1CCN(CCO)CC1 22579861 343081794 /nfs/dbraw/zinc/08/17/94/343081794.db2.gz KDYNMWFSJAIPSW-UHFFFAOYSA-N 1 0 172.272 0.005 50 0 in-vitro ACAARO C[NH2+]CCNCC(F)(F)F 22466799 343081857 /nfs/dbraw/zinc/08/18/57/343081857.db2.gz HUTGISCOENKDCH-UHFFFAOYSA-N 1 0 156.151 0.358 50 0 ACAARO C[NH+]1CCN(Cn2cccn2)CC1 22594015 343081885 /nfs/dbraw/zinc/08/18/85/343081885.db2.gz STCIOXWDMKJGAH-UHFFFAOYSA-N 1 0 180.255 0.088 50 0 ACAARO CC[C@H](C)[NH+]1CCN(CCO)CC1 22787018 343082164 /nfs/dbraw/zinc/08/21/64/343082164.db2.gz QCHFTLQCZUMQKJ-JTQLQIEISA-N 1 0 186.299 0.395 50 0 in-vitro ACAARO CCc1nccc(C[NH3+])n1 22861491 343082195 /nfs/dbraw/zinc/08/21/95/343082195.db2.gz UEIRIBHCHQFDDF-UHFFFAOYSA-N 1 0 137.186 0.498 50 0 ACAARO Cc1cnc(C[NH2+]C[C@@H](C)O)s1 22862424 343082211 /nfs/dbraw/zinc/08/22/11/343082211.db2.gz REXJGWBGXZDNSH-ZCFIWIBFSA-N 1 0 186.280 0.922 50 0 ACAARO CCC(CC)[NH2+]CCN 22870532 343082216 /nfs/dbraw/zinc/08/22/16/343082216.db2.gz JWRIBBHPRWTITQ-UHFFFAOYSA-N 1 0 130.235 0.723 50 0 in-vitro ACAARO Cc1c[nH]c(C[NH2+]C2CC2)n1 22861458 343082316 /nfs/dbraw/zinc/08/23/16/343082316.db2.gz VAFNVIBXNPWOAA-UHFFFAOYSA-N 1 0 151.213 0.970 50 0 ACAARO CC(C)[NH2+]Cc1ncc[nH]1 22861372 343082420 /nfs/dbraw/zinc/08/24/20/343082420.db2.gz OBUWQYBSQNRPLZ-UHFFFAOYSA-N 1 0 139.202 0.908 50 0 ACAARO Cc1cnc(C[NH2+]C[C@H](C)O)s1 22862427 343082433 /nfs/dbraw/zinc/08/24/33/343082433.db2.gz REXJGWBGXZDNSH-LURJTMIESA-N 1 0 186.280 0.922 50 0 ACAARO CC(C)[C@@H](CN)[NH+](C)C 22921523 343082639 /nfs/dbraw/zinc/08/26/39/343082639.db2.gz DJVWTEQJNMZOQF-SSDOTTSWSA-N 1 0 130.235 0.531 50 0 in-vitro ACAARO C[C@H]1CN(C(C)(C)C[NH3+])C[C@@H](C)O1 22921438 343082673 /nfs/dbraw/zinc/08/26/73/343082673.db2.gz OTOBTLZVXNJQAW-DTORHVGOSA-N 1 0 186.299 0.833 50 0 in-vitro ACAARO C[C@@H]1CN([C@H](C)C[NH3+])C[C@@H](C)O1 22920557 343082789 /nfs/dbraw/zinc/08/27/89/343082789.db2.gz RNSSMMIAROTMLD-IWSPIJDZSA-N 1 0 172.272 0.443 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCCNCC1 22916924 343082806 /nfs/dbraw/zinc/08/28/06/343082806.db2.gz XEGFJPJTBTYPNB-UHFFFAOYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H](C)N1C 22910953 343082815 /nfs/dbraw/zinc/08/28/15/343082815.db2.gz QHVYJSBQXIIROJ-KNVOCYPGSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 22936001 343082835 /nfs/dbraw/zinc/08/28/35/343082835.db2.gz QKAMIGVRCHNECO-ZJUUUORDSA-N 1 0 184.283 0.147 50 0 in-vitro ACAARO CC[C@@H](C[NH3+])N(C)C 23066195 343082850 /nfs/dbraw/zinc/08/28/50/343082850.db2.gz QYMUENUCKRLOTB-LURJTMIESA-N 1 0 116.208 0.285 50 0 in-vitro ACAARO C[C@H]1CN([C@@H](C)C[NH3+])C[C@@H](C)O1 22920553 343082855 /nfs/dbraw/zinc/08/28/55/343082855.db2.gz RNSSMMIAROTMLD-XHNCKOQMSA-N 1 0 172.272 0.443 50 0 in-vitro ACAARO CC(C)[N@@H+]1CC[C@@H](N)C1 22942074 343082857 /nfs/dbraw/zinc/08/28/57/343082857.db2.gz SYMMPPWYYXRLJX-SSDOTTSWSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 22936006 343082887 /nfs/dbraw/zinc/08/28/87/343082887.db2.gz QKAMIGVRCHNECO-NXEZZACHSA-N 1 0 184.283 0.147 50 0 in-vitro ACAARO CC(C)[N@@H+]1CC[C@H](N)C1 22942078 343082918 /nfs/dbraw/zinc/08/29/18/343082918.db2.gz SYMMPPWYYXRLJX-ZETCQYMHSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO C[C@H]1CN(CC[NH3+])C[C@@H](C)O1 22921531 343082940 /nfs/dbraw/zinc/08/29/40/343082940.db2.gz GLOJLKCUVTZRFO-OCAPTIKFSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CN(C)CC[NH2+]C[C@H]1CCCO1 22930443 343082941 /nfs/dbraw/zinc/08/29/41/343082941.db2.gz DZWHKPBYGVOUGS-SECBINFHSA-N 1 0 172.272 0.317 50 0 ACAARO C[C@H]1C[NH2+]C[C@@H](C)N1C1CC1 22910960 343082945 /nfs/dbraw/zinc/08/29/45/343082945.db2.gz CXULSVFOEQUSKU-OCAPTIKFSA-N 1 0 154.257 0.831 50 0 ACAARO C[C@H]1CN([C@H](C)C[NH3+])C[C@@H](C)O1 22920562 343082960 /nfs/dbraw/zinc/08/29/60/343082960.db2.gz RNSSMMIAROTMLD-HLTSFMKQSA-N 1 0 172.272 0.443 50 0 in-vitro ACAARO CC(C)[C@@H](C[NH3+])N1CCOCC1 22921480 343082964 /nfs/dbraw/zinc/08/29/64/343082964.db2.gz KUZCEYDTUIJKLG-SECBINFHSA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO CC(C)[C@H](CN)[NH+](C)C 22921526 343082965 /nfs/dbraw/zinc/08/29/65/343082965.db2.gz DJVWTEQJNMZOQF-ZETCQYMHSA-N 1 0 130.235 0.531 50 0 in-vitro ACAARO C[NH2+]C1CCC(O)CC1 35837107 343139702 /nfs/dbraw/zinc/13/97/02/343139702.db2.gz OMJKFWFDNIIACS-UHFFFAOYSA-N 1 0 129.203 0.509 50 0 ACAARO CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 22936004 343083019 /nfs/dbraw/zinc/08/30/19/343083019.db2.gz QKAMIGVRCHNECO-UWVGGRQHSA-N 1 0 184.283 0.147 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](C)N1C 22910956 343083032 /nfs/dbraw/zinc/08/30/32/343083032.db2.gz QHVYJSBQXIIROJ-BQBZGAKWSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1 23162784 343083384 /nfs/dbraw/zinc/08/33/84/343083384.db2.gz ZUILOGVUGKBLHW-JGVFFNPUSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO CC[C@H](C[NH3+])N1CCOCC1 23094247 343083291 /nfs/dbraw/zinc/08/32/91/343083291.db2.gz ISPOVRDUODCJCL-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])c1ccccn1 23093905 343083338 /nfs/dbraw/zinc/08/33/38/343083338.db2.gz NBDXPIRRODJPLL-VIFPVBQESA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO CC[C@@H](CN)[N@H+](C)CC 23094249 343083345 /nfs/dbraw/zinc/08/33/45/343083345.db2.gz NFEMRESATTWNAD-ZETCQYMHSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO C[C@H]1CN(C2CC2)CC[NH2+]1 23319658 343083450 /nfs/dbraw/zinc/08/34/50/343083450.db2.gz IQEDRJJKXCQPMH-ZETCQYMHSA-N 1 0 140.230 0.443 50 0 ACAARO CN1[C@H]2CC[C@@H]1C[NH2+]C2 23342408 343083504 /nfs/dbraw/zinc/08/35/04/343083504.db2.gz OFNWMZRPXFBZPX-KNVOCYPGSA-N 1 0 126.203 0.052 50 0 ACAARO CC(C)[C@H]1CN(C)CC[NH2+]1 23093610 343083534 /nfs/dbraw/zinc/08/35/34/343083534.db2.gz AWEMTXATTGFXPG-MRVPVSSYSA-N 1 0 142.246 0.546 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])c1ccccn1 23093908 343083547 /nfs/dbraw/zinc/08/35/47/343083547.db2.gz NBDXPIRRODJPLL-SECBINFHSA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO CC[C@@H](C[NH3+])N1CCOCC1 23094246 343083608 /nfs/dbraw/zinc/08/36/08/343083608.db2.gz ISPOVRDUODCJCL-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC[C@H](CN)[N@H+](C)CC 23094250 343083611 /nfs/dbraw/zinc/08/36/11/343083611.db2.gz NFEMRESATTWNAD-SSDOTTSWSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])c1cccnc1 23363450 343083628 /nfs/dbraw/zinc/08/36/28/343083628.db2.gz PEQPPVGTDBKQPE-VIFPVBQESA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO CN1CC[NH2+]C(C)(C)C1 23093947 343083633 /nfs/dbraw/zinc/08/36/33/343083633.db2.gz KVWMFPQRDKFZMP-UHFFFAOYSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CC(C)[C@H]1CNCC[NH2+]1 23363477 343083651 /nfs/dbraw/zinc/08/36/51/343083651.db2.gz HBCSNWKQNPKIHK-SSDOTTSWSA-N 1 0 128.219 0.204 50 0 in-vitro ACAARO CN1CC[C@]2(CCC[NH2+]C2)C1=O 23508769 343084093 /nfs/dbraw/zinc/08/40/93/343084093.db2.gz LWGBOQLUNPTPFH-VIFPVBQESA-N 1 0 168.240 0.218 50 0 ACAARO Cc1cc(O)cc(=O)n1CC[NH+](C)C 23550040 343084104 /nfs/dbraw/zinc/08/41/04/343084104.db2.gz WQVXYKGMAZPAIU-UHFFFAOYSA-N 1 0 196.250 0.424 50 0 ACAARO COCC1(C2CC2)C[NH2+]C1 23828680 343084408 /nfs/dbraw/zinc/08/44/08/343084408.db2.gz ZWUDNSHBTOIQEJ-UHFFFAOYSA-N 1 0 141.214 0.632 50 0 in-vitro ACAARO C[C@H]1C[C@H]([NH3+])CN1C1CC1 23844655 343084447 /nfs/dbraw/zinc/08/44/47/343084447.db2.gz BXEZDTWKLTUSIV-BQBZGAKWSA-N 1 0 140.230 0.570 50 0 in-vitro ACAARO Cc1nccn1C1C[NH2+]C1 23906880 343084863 /nfs/dbraw/zinc/08/48/63/343084863.db2.gz KWTBWLLIMMPKNP-UHFFFAOYSA-N 1 0 137.186 0.336 50 0 ACAARO Cc1c[nH]nc1C1C[NH2+]C1 23908948 343084994 /nfs/dbraw/zinc/08/49/94/343084994.db2.gz RZIXYQINAMHAIJ-UHFFFAOYSA-N 1 0 137.186 0.405 50 0 ACAARO c1cc2c(nn1)CC[NH2+]C2 24190143 343085250 /nfs/dbraw/zinc/08/52/50/343085250.db2.gz WPKKYTFIJLZVPP-UHFFFAOYSA-N 1 0 135.170 0.122 50 0 ACAARO C[N@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 24115325 343085336 /nfs/dbraw/zinc/08/53/36/343085336.db2.gz NRCDIJJTFDJACX-SFYZADRCSA-N 1 0 140.230 0.443 50 0 ACAARO Cc1ncnc2c1C[NH2+]CC2 24625305 343086333 /nfs/dbraw/zinc/08/63/33/343086333.db2.gz YYZDYNSUOPWBRV-UHFFFAOYSA-N 1 0 149.197 0.431 50 0 ACAARO CCn1cnc2c1CC[NH2+]C2 24757248 343086459 /nfs/dbraw/zinc/08/64/59/343086459.db2.gz MHGCEAFRXMTXJJ-UHFFFAOYSA-N 1 0 151.213 0.549 50 0 ACAARO Cc1cc(NN)[nH+]cn1 25491323 343086469 /nfs/dbraw/zinc/08/64/69/343086469.db2.gz QZWHXGZANIHORL-UHFFFAOYSA-N 1 0 124.147 0.071 50 0 in-vitro ACAARO Cc1ncnc2c1CC[NH2+]C2 24625241 343086523 /nfs/dbraw/zinc/08/65/23/343086523.db2.gz UTMASEPMXPRYFE-UHFFFAOYSA-N 1 0 149.197 0.431 50 0 in-vitro ACAARO O=c1cc[nH]c2c1C[NH2+]CC2 24625071 343086571 /nfs/dbraw/zinc/08/65/71/343086571.db2.gz NFECZQYPXCGRHI-UHFFFAOYSA-N 1 0 150.181 0.021 50 0 ACAARO C[C@H]1C[NH+](CCO)C[C@H](C)O1 25623964 343086796 /nfs/dbraw/zinc/08/67/96/343086796.db2.gz VAFPVCCEXLHAGE-YUMQZZPRSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO CN1CC[C@@H]2CC[NH2+]C[C@@H]21 25877070 343087005 /nfs/dbraw/zinc/08/70/05/343087005.db2.gz DGKKRYRUSCGLGJ-YUMQZZPRSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO Cc1cc(N(C)C)nc(N)[nH+]1 25494529 343087020 /nfs/dbraw/zinc/08/70/20/343087020.db2.gz RMTCWOLYVMOKBR-UHFFFAOYSA-N 1 0 152.201 0.433 50 0 in-vitro ACAARO CN1CC[C@H]2CC[NH2+]C[C@@H]21 25877072 343087160 /nfs/dbraw/zinc/08/71/60/343087160.db2.gz DGKKRYRUSCGLGJ-SFYZADRCSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO Cc1ncc2n1CC[NH2+]C2 26039235 343087416 /nfs/dbraw/zinc/08/74/16/343087416.db2.gz GMMYNKQIGMWPCQ-UHFFFAOYSA-N 1 0 137.186 0.295 50 0 in-vitro ACAARO Cc1[nH]nc2c1C[NH2+]CC2 26051128 343087493 /nfs/dbraw/zinc/08/74/93/343087493.db2.gz SKNBYROUCJKRDB-UHFFFAOYSA-N 1 0 137.186 0.364 50 0 in-vitro ACAARO Cc1nnc([C@@H]2CCC[NH2+]C2)o1 26424226 343087749 /nfs/dbraw/zinc/08/77/49/343087749.db2.gz BAWKGMVJXWCTFA-SSDOTTSWSA-N 1 0 167.212 0.845 50 0 in-vitro ACAARO Cc1cc(C)c(N)c(N)[nH+]1 26438408 343087757 /nfs/dbraw/zinc/08/77/57/343087757.db2.gz KOFVAOOMAVAGHM-UHFFFAOYSA-N 1 0 137.186 0.863 50 0 ACAARO Cc1cc(CC[NH3+])on1 26422730 343087801 /nfs/dbraw/zinc/08/78/01/343087801.db2.gz XHFAVDGGUZWEND-UHFFFAOYSA-N 1 0 126.159 0.484 50 0 in-vitro ACAARO Cc1cc(CCC[NH3+])on1 26422623 343088065 /nfs/dbraw/zinc/08/80/65/343088065.db2.gz JFHIGUKSVGJENI-UHFFFAOYSA-N 1 0 140.186 0.874 50 0 ACAARO C[C@H]([NH3+])c1ncon1 26461244 343088259 /nfs/dbraw/zinc/08/82/59/343088259.db2.gz LFSXUCZAZSQBPW-VKHMYHEASA-N 1 0 113.120 0.089 50 0 in-vitro ACAARO Cc1cncc(C[NH3+])c1 26461312 343088478 /nfs/dbraw/zinc/08/84/78/343088478.db2.gz ZKAUZQFUIATOQP-UHFFFAOYSA-N 1 0 122.171 0.849 50 0 in-vitro ACAARO C[NH2+]CCC(=O)NC(C)C 26475993 343088619 /nfs/dbraw/zinc/08/86/19/343088619.db2.gz DZGOQFFYNQWCDQ-UHFFFAOYSA-N 1 0 144.218 0.121 50 0 ACAARO C[C@H]([NH3+])CF 26480897 343088689 /nfs/dbraw/zinc/08/86/89/343088689.db2.gz IRQOJWDMOUIHNR-VKHMYHEASA-N 1 0 77.102 0.303 50 0 in-vitro ACAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1 26472103 343088751 /nfs/dbraw/zinc/08/87/51/343088751.db2.gz VJSUDAXXXXTREH-RKDXNWHRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])c1cccn1C 26510970 343089131 /nfs/dbraw/zinc/08/91/31/343089131.db2.gz LZCLIFBUFGFUEP-SECBINFHSA-N 1 0 167.256 0.587 50 0 ACAARO CN(C)[C@@H](C[NH3+])C1CC1 26510862 343089160 /nfs/dbraw/zinc/08/91/60/343089160.db2.gz UEJWODNUYBQODM-ZETCQYMHSA-N 1 0 128.219 0.285 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])C1CC1 26510865 343089249 /nfs/dbraw/zinc/08/92/49/343089249.db2.gz UEJWODNUYBQODM-SSDOTTSWSA-N 1 0 128.219 0.285 50 0 in-vitro ACAARO CC(C)n1nccc1C[NH3+] 26546955 343089938 /nfs/dbraw/zinc/08/99/38/343089938.db2.gz NUVNGCYOZPTKQS-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 ACAARO CCc1nn(C)cc1C[NH3+] 26545424 343089988 /nfs/dbraw/zinc/08/99/88/343089988.db2.gz OMBFBHQSTJWJJK-UHFFFAOYSA-N 1 0 139.202 0.441 50 0 in-vitro ACAARO Cc1nn(C)cc1CC[NH3+] 26546321 343090025 /nfs/dbraw/zinc/09/00/25/343090025.db2.gz HGQSWPBSWYFHEU-UHFFFAOYSA-N 1 0 139.202 0.230 50 0 in-vitro ACAARO Cc1c(CC[NH3+])cnn1C 26546325 343090034 /nfs/dbraw/zinc/09/00/34/343090034.db2.gz YNTQEKWDMRIOLY-UHFFFAOYSA-N 1 0 139.202 0.230 50 0 in-vitro ACAARO CCc1cc(C[NH3+])no1 26547744 343090353 /nfs/dbraw/zinc/09/03/53/343090353.db2.gz BPTOWLOEDKFJRE-UHFFFAOYSA-N 1 0 126.159 0.696 50 0 in-vitro ACAARO CC(C)n1ccc(C[NH3+])n1 26547103 343090424 /nfs/dbraw/zinc/09/04/24/343090424.db2.gz DWVZJJWBGYDTEZ-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO Cc1ccc(C(N)=[NH2+])cn1 26898068 343090828 /nfs/dbraw/zinc/09/08/28/343090828.db2.gz PPLMEHNMGUDFEG-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 ACAARO C[C@H]1CNC(C)(C)C[NH2+]1 26899098 343090840 /nfs/dbraw/zinc/09/08/40/343090840.db2.gz BHUBBXYEMNDWPZ-LURJTMIESA-N 1 0 128.219 0.346 50 0 in-vitro ACAARO CCCCC[C@H](O)C[NH3+] 26895234 343090880 /nfs/dbraw/zinc/09/08/80/343090880.db2.gz QLELJGOOIWJCOZ-ZETCQYMHSA-N 1 0 131.219 0.886 50 0 ACAARO CC[C@@H]([NH3+])C(=O)N1CCCCC1 27555344 343091265 /nfs/dbraw/zinc/09/12/65/343091265.db2.gz ZCICKIPNYNVXMI-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO C[C@H]1OCC2(CC[NH2+]CC2)O1 27549585 343091426 /nfs/dbraw/zinc/09/14/26/343091426.db2.gz FDFOTAGGJONTSD-ZETCQYMHSA-N 1 0 157.213 0.501 50 0 in-vitro ACAARO Cc1ccc(C(N)=[NH2+])o1 28405125 343091870 /nfs/dbraw/zinc/09/18/70/343091870.db2.gz UZRQNAJRDUVHBX-UHFFFAOYSA-N 1 0 124.143 0.872 50 0 ACAARO C[C@H]1CCc2n[nH]c(C[NH3+])c21 28378448 343091920 /nfs/dbraw/zinc/09/19/20/343091920.db2.gz TUTVKVDUCUQWSK-YFKPBYRVSA-N 1 0 151.213 0.918 50 0 ACAARO CCC(CC)[C@H](O)C[NH3+] 28221742 343091950 /nfs/dbraw/zinc/09/19/50/343091950.db2.gz NGNXQZFLANJCHW-SSDOTTSWSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CCc1nc(CC[NH3+])c[nH]1 29414010 343092570 /nfs/dbraw/zinc/09/25/70/343092570.db2.gz ZYEXVVQLCNHUJV-UHFFFAOYSA-N 1 0 139.202 0.473 50 0 ACAARO Cc1c[nH]c(C[NH3+])c(C)c1=O 30714347 343092745 /nfs/dbraw/zinc/09/27/45/343092745.db2.gz FRFBKMMQVOHTOP-UHFFFAOYSA-N 1 0 152.197 0.450 50 0 ACAARO CN(C)Cc1nc(C[NH3+])cs1 30714450 343092786 /nfs/dbraw/zinc/09/27/86/343092786.db2.gz RVBGKHIIBCJMIE-UHFFFAOYSA-N 1 0 171.269 0.663 50 0 in-vitro ACAARO CCn1c(C)nnc1SCC[NH3+] 30714509 343092843 /nfs/dbraw/zinc/09/28/43/343092843.db2.gz PUKSIMMEVATLSD-UHFFFAOYSA-N 1 0 186.284 0.657 50 0 ACAARO CC1(C)C[NH2+]Cc2c[nH]nc21 30678297 343093065 /nfs/dbraw/zinc/09/30/65/343093065.db2.gz AWAIVNAATBOZNA-UHFFFAOYSA-N 1 0 151.213 0.791 50 0 in-vitro ACAARO C[C@H](CO)[NH2+]C1CCCC1 31687860 343093587 /nfs/dbraw/zinc/09/35/87/343093587.db2.gz CHJDDDIKQFVCKB-SSDOTTSWSA-N 1 0 143.230 0.899 50 0 in-vitro ACAARO Cc1[nH]c(N)[nH+]c1C 31891102 343094214 /nfs/dbraw/zinc/09/42/14/343094214.db2.gz JUWWVCSNLLWQBL-UHFFFAOYSA-N 1 0 111.148 0.609 50 0 ACAARO Cc1nnc2n1NC(CC[NH3+])=CS2 31773260 343094241 /nfs/dbraw/zinc/09/42/41/343094241.db2.gz MIAGAJZOAKEUFM-UHFFFAOYSA-N 1 0 197.267 0.245 50 0 ACAARO Cc1nnc(N2CC[NH2+]CC2)s1 31978339 343094807 /nfs/dbraw/zinc/09/48/07/343094807.db2.gz AXYOQFCCRRADTR-UHFFFAOYSA-N 1 0 184.268 0.256 50 0 ACAARO C[C@H]1C[NH2+]CC(C)(C)O1 32005362 343095153 /nfs/dbraw/zinc/09/51/53/343095153.db2.gz OQUWOWHKASMPNF-LURJTMIESA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CCC[NH2+]CC(C)(C)O 32005391 343095180 /nfs/dbraw/zinc/09/51/80/343095180.db2.gz BGTOSPGUGMQZPN-UHFFFAOYSA-N 1 0 131.219 0.757 50 0 in-vitro ACAARO CCCC[N@@H+]1CC[C@H](N)C1 31996455 343095210 /nfs/dbraw/zinc/09/52/10/343095210.db2.gz WZQVWDRDYHYXBG-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 ACAARO C[C@H]1COC(C)(C)C[NH2+]1 32005357 343095259 /nfs/dbraw/zinc/09/52/59/343095259.db2.gz PTLYPPYIFLTLSU-LURJTMIESA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO C[C@H](O)C[NH2+]C1CC1 32005340 343095288 /nfs/dbraw/zinc/09/52/88/343095288.db2.gz FLBAPNQECBHZCB-YFKPBYRVSA-N 1 0 115.176 0.119 50 0 ACAARO CCCN1CC[C@H]([NH3+])C1 31996775 343095313 /nfs/dbraw/zinc/09/53/13/343095313.db2.gz QQBSLNKWDXZLKL-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[C@H](C)[N@@H+]1CC[C@@H](N)C1 31996782 343095344 /nfs/dbraw/zinc/09/53/44/343095344.db2.gz UYZDDPIZRFTWMM-JGVFFNPUSA-N 1 0 142.246 0.818 50 0 ACAARO CCCN1CC[C@@H]([NH3+])C1 31996772 343095411 /nfs/dbraw/zinc/09/54/11/343095411.db2.gz QQBSLNKWDXZLKL-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO Cc1nnc(SCC[NH3+])n1C 32006663 343095663 /nfs/dbraw/zinc/09/56/63/343095663.db2.gz YKDUDZCOOKIUKF-UHFFFAOYSA-N 1 0 172.257 0.174 50 0 ACAARO CC(C)S(=O)(=O)CCCC[NH3+] 32007372 343095990 /nfs/dbraw/zinc/09/59/90/343095990.db2.gz FZEVZUJOHPNFKL-UHFFFAOYSA-N 1 0 179.285 0.549 50 0 ACAARO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C(N)=O)C1 32023648 343097113 /nfs/dbraw/zinc/09/71/13/343097113.db2.gz NEMZPKYPNPZWHB-YIZRAAEISA-N 1 0 184.283 0.838 50 0 ACAARO C[C@]1([NH3+])CCC[C@H]1CO 32098960 343097117 /nfs/dbraw/zinc/09/71/17/343097117.db2.gz CDXIZMCKBSBIMQ-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO CC1CC[NH+]([C@H](C)C(N)=O)CC1 32023547 343097122 /nfs/dbraw/zinc/09/71/22/343097122.db2.gz HUBXBOUOLUITDJ-MRVPVSSYSA-N 1 0 170.256 0.592 50 0 ACAARO C[C@]1([NH3+])CCCC[C@H]1CO 32098958 343097282 /nfs/dbraw/zinc/09/72/82/343097282.db2.gz SCKVRACKOOXUPB-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 32023535 343097284 /nfs/dbraw/zinc/09/72/84/343097284.db2.gz PNFJLSHWBWNVQQ-YUMQZZPRSA-N 1 0 170.256 0.592 50 0 ACAARO C[C@H](C(N)=O)[NH+]1CCCCC1 32016253 343097313 /nfs/dbraw/zinc/09/73/13/343097313.db2.gz HUKJYNXDTWJWQN-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO CN(C)c1cc[nH+]c(N)c1 32175846 343099717 /nfs/dbraw/zinc/09/97/17/343099717.db2.gz QEDNABCLVCJRLV-UHFFFAOYSA-N 1 0 137.186 0.730 50 0 in-vitro ACAARO CCn1ccc[n+]1C 32214977 343101016 /nfs/dbraw/zinc/10/10/16/343101016.db2.gz BOFPDEISADDIGX-UHFFFAOYSA-N 1 0 111.168 0.333 50 0 ACAARO CC[C@H]1C[NH2+][C@@H](CC)CN1 32219263 343101215 /nfs/dbraw/zinc/10/12/15/343101215.db2.gz JIAOVIBEPXQRNK-YUMQZZPRSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+][C@H](CC)CN1 32219264 343101376 /nfs/dbraw/zinc/10/13/76/343101376.db2.gz JIAOVIBEPXQRNK-HTQZYQBOSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO C[C@@]1(CO)CCC[NH2+]1 32228337 343101498 /nfs/dbraw/zinc/10/14/98/343101498.db2.gz BJOWRJDUPYOCEU-LURJTMIESA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[C@]1(CO)CCC[NH2+]1 32228339 343101545 /nfs/dbraw/zinc/10/15/45/343101545.db2.gz BJOWRJDUPYOCEU-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO CC(C)[C@@H]1CC(=O)CC[NH2+]1 32299189 343102040 /nfs/dbraw/zinc/10/20/40/343102040.db2.gz XIZBDGDHOCXWOJ-QMMMGPOBSA-N 1 0 141.214 0.964 50 0 in-vitro ACAARO C[C@H]1[NH2+]C(C)(C)CO1 32250392 343101794 /nfs/dbraw/zinc/10/17/94/343101794.db2.gz NLUVWKFUEKKXTB-YFKPBYRVSA-N 1 0 115.176 0.731 50 0 ACAARO C[C@H]1C[C@H](C)C[NH+](CCN)C1 32445487 343102103 /nfs/dbraw/zinc/10/21/03/343102103.db2.gz GQSWLZPKSPRYJI-IUCAKERBSA-N 1 0 156.273 0.923 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCO[C@@H]1C 32302115 343102128 /nfs/dbraw/zinc/10/21/28/343102128.db2.gz LTJFPCBECZHXNS-PHDIDXHHSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@H]1CCC[N@H+](CCN)C1 32445538 343102145 /nfs/dbraw/zinc/10/21/45/343102145.db2.gz XGUMSCJZZRIGOO-QMMMGPOBSA-N 1 0 142.246 0.677 50 0 in-vitro ACAARO CN1CCC[C@H]([NH3+])C1 32445478 343102183 /nfs/dbraw/zinc/10/21/83/343102183.db2.gz QZSACHHNFDNCNB-LURJTMIESA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO C[C@H]1C[C@@H](C)C[N@H+](CCN)C1 32445486 343102271 /nfs/dbraw/zinc/10/22/71/343102271.db2.gz GQSWLZPKSPRYJI-DTORHVGOSA-N 1 0 156.273 0.923 50 0 in-vitro ACAARO C[NH+](C)C1(CN)CCCC1 32445536 343102287 /nfs/dbraw/zinc/10/22/87/343102287.db2.gz OHQDEEKAUZTSQC-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CC1CCN(CC[NH3+])CC1 32445543 343102383 /nfs/dbraw/zinc/10/23/83/343102383.db2.gz BTEYOILJVIONOI-UHFFFAOYSA-N 1 0 142.246 0.677 50 0 in-vitro ACAARO CC(C)N(C)C(=O)n1cc[n+](C)c1 32628702 343102566 /nfs/dbraw/zinc/10/25/66/343102566.db2.gz UURGZJNUMCUWHA-UHFFFAOYSA-N 1 0 182.247 0.621 50 0 ACAARO Cc1nc(C2([NH3+])CCC2)no1 32627543 343102585 /nfs/dbraw/zinc/10/25/85/343102585.db2.gz SHJPGPOPDVKKDN-UHFFFAOYSA-N 1 0 153.185 0.716 50 0 in-vitro ACAARO CNC(=O)c1ccc2n1CC[NH2+][C@H]2C 32626981 343102630 /nfs/dbraw/zinc/10/26/30/343102630.db2.gz OYRGMQSSJKXOSC-ZETCQYMHSA-N 1 0 193.250 0.512 50 0 ACAARO CNC(=O)c1ccc2n1CC[NH2+][C@@H]2C 32626979 343102660 /nfs/dbraw/zinc/10/26/60/343102660.db2.gz OYRGMQSSJKXOSC-SSDOTTSWSA-N 1 0 193.250 0.512 50 0 ACAARO Cc1nn(CCO)cc1CCC[NH3+] 32628185 343102679 /nfs/dbraw/zinc/10/26/79/343102679.db2.gz RALVMEYUDHQHRZ-UHFFFAOYSA-N 1 0 183.255 0.075 50 0 ACAARO C[NH2+]CCCC(=O)OC 32627538 343102692 /nfs/dbraw/zinc/10/26/92/343102692.db2.gz NCHRVWIOGHJADK-UHFFFAOYSA-N 1 0 131.175 0.159 50 0 in-vitro ACAARO C[C@H]([NH3+])CN1CCCCC1 32546578 343102782 /nfs/dbraw/zinc/10/27/82/343102782.db2.gz ZFDABCDCTKLGOK-QMMMGPOBSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CNC(=O)C[NH+]1CCC(C)CC1 32668150 343103028 /nfs/dbraw/zinc/10/30/28/343103028.db2.gz WJSITFWMUQEBDZ-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 in-vitro ACAARO CNC(=O)C[NH+]1CCCCCC1 32668101 343103105 /nfs/dbraw/zinc/10/31/05/343103105.db2.gz BKCGBGGLOJSPJA-UHFFFAOYSA-N 1 0 170.256 0.608 50 0 ACAARO C[N@H+](CC(N)=O)C1CCCC1 32843183 343103390 /nfs/dbraw/zinc/10/33/90/343103390.db2.gz UAHZKFSPRMQRTQ-UHFFFAOYSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(N)=O 32777660 343103444 /nfs/dbraw/zinc/10/34/44/343103444.db2.gz XSFNDOMZJAFXNW-IUCAKERBSA-N 1 0 184.283 0.982 50 0 ACAARO C[C@H]1CCCC[C@H]1[N@H+](C)CC(N)=O 32777663 343103515 /nfs/dbraw/zinc/10/35/15/343103515.db2.gz XSFNDOMZJAFXNW-DTWKUNHWSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)[NH+]1CCN(C(=O)C2CC2)CC1 32751461 343103689 /nfs/dbraw/zinc/10/36/89/343103689.db2.gz OARKNVRLIOOPCK-UHFFFAOYSA-N 1 0 196.294 0.949 50 0 ACAARO Cc1cc2n(n1)CCC[NH2+]C2 33414686 343104615 /nfs/dbraw/zinc/10/46/15/343104615.db2.gz OJZBMSBCDUGTHS-UHFFFAOYSA-N 1 0 151.213 0.685 50 0 ACAARO CNC(=O)c1ccc(C[NH3+])o1 33414619 343104653 /nfs/dbraw/zinc/10/46/53/343104653.db2.gz FGDPZSJGKXOHEM-UHFFFAOYSA-N 1 0 154.169 0.098 50 0 ACAARO Cc1cc2n(n1)CC[NH2+]C2 33414688 343104707 /nfs/dbraw/zinc/10/47/07/343104707.db2.gz FWAIOFFELQKIOL-UHFFFAOYSA-N 1 0 137.186 0.295 50 0 ACAARO CC1=NO[C@@](C)(C[NH3+])C1 33414646 343104747 /nfs/dbraw/zinc/10/47/47/343104747.db2.gz GDFCBGWOVRCZAD-ZCFIWIBFSA-N 1 0 128.175 0.500 50 0 ACAARO C[NH+](C)C[C@@H]1CCCO1 33506139 343104975 /nfs/dbraw/zinc/10/49/75/343104975.db2.gz JKAJLDZOBJSTEW-ZETCQYMHSA-N 1 0 129.203 0.727 50 0 ACAARO C[NH+](C)C[C@H]1CCCO1 33506140 343105239 /nfs/dbraw/zinc/10/52/39/343105239.db2.gz JKAJLDZOBJSTEW-SSDOTTSWSA-N 1 0 129.203 0.727 50 0 ACAARO Cc1ccn(CCC[NH3+])c(=O)c1 33513364 343105345 /nfs/dbraw/zinc/10/53/45/343105345.db2.gz NWIWNGPPDIUJSS-UHFFFAOYSA-N 1 0 166.224 0.506 50 0 ACAARO Cc1cccc(=O)n1CCCC[NH3+] 33513373 343105547 /nfs/dbraw/zinc/10/55/47/343105547.db2.gz QEXOGGCLRXOBDA-UHFFFAOYSA-N 1 0 180.251 0.896 50 0 in-vitro ACAARO CC1=CC[NH2+]CC1 33791157 343106214 /nfs/dbraw/zinc/10/62/14/343106214.db2.gz IZGVOANXLNJMDM-UHFFFAOYSA-N 1 0 97.161 0.926 50 0 in-vitro ACAARO C[C@H]1CCC[C@H](CO)[NH2+]1 33798842 343106384 /nfs/dbraw/zinc/10/63/84/343106384.db2.gz ZIYHYFOCJMWAQY-NKWVEPMBSA-N 1 0 129.203 0.509 50 0 ACAARO CC1=CCC[NH2+]C1 33801685 343106447 /nfs/dbraw/zinc/10/64/47/343106447.db2.gz ZKJZYUKADBYJCC-UHFFFAOYSA-N 1 0 97.161 0.926 50 0 in-vitro ACAARO C[C@H]1CCC[C@@H](CO)[NH2+]1 33798844 343106618 /nfs/dbraw/zinc/10/66/18/343106618.db2.gz ZIYHYFOCJMWAQY-BQBZGAKWSA-N 1 0 129.203 0.509 50 0 ACAARO CNC(=O)C1CCC(C[NH3+])CC1 33966103 343108623 /nfs/dbraw/zinc/10/86/23/343108623.db2.gz AVWTXYWHGFHGQD-UHFFFAOYSA-N 1 0 170.256 0.498 50 0 in-vitro ACAARO CC[C@@H](O)CC[NH3+] 34049564 343108805 /nfs/dbraw/zinc/10/88/05/343108805.db2.gz RPOTYPSPQZVIJY-RXMQYKEDSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO CN(CC[NH3+])C1CC1 34060327 343108918 /nfs/dbraw/zinc/10/89/18/343108918.db2.gz BOGOVRPYKWYEKM-UHFFFAOYSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@@H](C2OCCO2)C1 34091009 343110276 /nfs/dbraw/zinc/11/02/76/343110276.db2.gz PDZDWPHCSFLQAB-MRVPVSSYSA-N 1 0 171.240 0.701 50 0 in-vitro ACAARO CC1=CC[NH2+]C1 34108546 343110426 /nfs/dbraw/zinc/11/04/26/343110426.db2.gz DTPFSSOXQXWKEV-UHFFFAOYSA-N 1 0 83.134 0.536 50 0 ACAARO Cc1cc(C(N)=[NH2+])ccn1 34100862 343110458 /nfs/dbraw/zinc/11/04/58/343110458.db2.gz GVXCPRHHIDGVBK-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 ACAARO Cc1nc(Cl)cc(NN)[nH+]1 34100878 343110538 /nfs/dbraw/zinc/11/05/38/343110538.db2.gz FSVBHXYINVNNKS-UHFFFAOYSA-N 1 0 158.592 0.724 50 0 ACAARO CNC(C)=[NH2+] 34139761 343111734 /nfs/dbraw/zinc/11/17/34/343111734.db2.gz NKQBQVNKUQULLD-UHFFFAOYSA-N 1 0 72.111 0.203 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H]1C 34161217 343112004 /nfs/dbraw/zinc/11/20/04/343112004.db2.gz RDEHRKLSYJBKDV-WDSKDSINSA-N 1 0 99.177 0.862 50 0 in-vitro ACAARO CN1C(=O)[C@H]([NH3+])CCc2ccccc21 34188485 343112851 /nfs/dbraw/zinc/11/28/51/343112851.db2.gz RMKCDKXXFTYREG-SECBINFHSA-N 1 0 190.246 0.923 50 0 in-vitro ACAARO CN1C(=O)[C@@H]([NH3+])CCc2ccccc21 34188484 343112998 /nfs/dbraw/zinc/11/29/98/343112998.db2.gz RMKCDKXXFTYREG-VIFPVBQESA-N 1 0 190.246 0.923 50 0 in-vitro ACAARO C[C@H](CC[NH3+])n1ccnc1 34195723 343113407 /nfs/dbraw/zinc/11/34/07/343113407.db2.gz WAZALYDSTDIFIY-SSDOTTSWSA-N 1 0 139.202 0.793 50 0 in-vitro ACAARO C=CC[C@@]1(C(=O)OC)CCC[NH2+]1 34199711 343113415 /nfs/dbraw/zinc/11/34/15/343113415.db2.gz GILOYDZWVWEQQY-VIFPVBQESA-N 1 0 169.224 0.858 50 0 ACAARO CC(C)OC(=O)[C@@H]([NH3+])C(C)C 34242095 343114582 /nfs/dbraw/zinc/11/45/82/343114582.db2.gz GJJLNXZGOBJOFF-ZETCQYMHSA-N 1 0 159.229 0.921 50 0 ACAARO Cc1cccc(C(N)=[NH2+])n1 34257769 343114857 /nfs/dbraw/zinc/11/48/57/343114857.db2.gz PIZYALZCFPRXAD-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 in-vitro ACAARO C[C@H](O)[C@H]1CCC[NH2+]1 34278486 343115271 /nfs/dbraw/zinc/11/52/71/343115271.db2.gz IEBYUZARWOFDSE-NTSWFWBYSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO CCC([NH3+])(CC)CO 34273808 343115319 /nfs/dbraw/zinc/11/53/19/343115319.db2.gz RJICLMDXEDUMAK-UHFFFAOYSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO C[C@H](O)CC[NH+]1CCOCC1 34318741 343116364 /nfs/dbraw/zinc/11/63/64/343116364.db2.gz RHBZAIRQNOBTNS-QMMMGPOBSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO CC[C@H]([NH3+])CC(=O)OC 34353517 343116935 /nfs/dbraw/zinc/11/69/35/343116935.db2.gz STSLIPZQSYMYNW-YFKPBYRVSA-N 1 0 131.175 0.287 50 0 ACAARO C[C@]1([NH3+])CC1(F)F 34347236 343116955 /nfs/dbraw/zinc/11/69/55/343116955.db2.gz WZJVQMNCLMJULR-VKHMYHEASA-N 1 0 107.103 0.743 50 0 in-vitro ACAARO C[C@@]1([NH3+])CC1(F)F 34347237 343116960 /nfs/dbraw/zinc/11/69/60/343116960.db2.gz WZJVQMNCLMJULR-GSVOUGTGSA-N 1 0 107.103 0.743 50 0 in-vitro ACAARO CC[C@@H]([NH3+])CC(=O)OC 34353519 343117099 /nfs/dbraw/zinc/11/70/99/343117099.db2.gz STSLIPZQSYMYNW-RXMQYKEDSA-N 1 0 131.175 0.287 50 0 ACAARO C[C@H]([NH3+])c1ncc[nH]1 35255571 343130853 /nfs/dbraw/zinc/13/08/53/343130853.db2.gz IIRFPANPYNPFMC-BYPYZUCNSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[NH2+]CCC(=O)OC(C)(C)C 34361286 343117414 /nfs/dbraw/zinc/11/74/14/343117414.db2.gz QFMOPRNLDIPINY-UHFFFAOYSA-N 1 0 159.229 0.938 50 0 ACAARO CCC(=O)OC[C@@H]1CCC[NH2+]C1 34408249 343118126 /nfs/dbraw/zinc/11/81/26/343118126.db2.gz RLTCSJMXSSCIGM-MRVPVSSYSA-N 1 0 171.240 0.939 50 0 ACAARO CCCC[C@H]([NH3+])[C@H](C)O 34467463 343119622 /nfs/dbraw/zinc/11/96/22/343119622.db2.gz NZNMGQIZVLTFIQ-BQBZGAKWSA-N 1 0 131.219 0.885 50 0 ACAARO CCC[N@@H+]1CCC[C@H](O)C1 34467531 343119594 /nfs/dbraw/zinc/11/95/94/343119594.db2.gz AZQRDHDQFFRTTI-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](O)Cc1ccccc1 34467471 343119618 /nfs/dbraw/zinc/11/96/18/343119618.db2.gz IQLWJEQETTYONH-WPRPVWTQSA-N 1 0 165.236 0.937 50 0 in-vitro ACAARO CCCC[C@@H]([NH3+])[C@@H](C)O 34467461 343119713 /nfs/dbraw/zinc/11/97/13/343119713.db2.gz NZNMGQIZVLTFIQ-RNFRBKRXSA-N 1 0 131.219 0.885 50 0 ACAARO C[C@H]([NH3+])[C@H](O)Cc1ccccc1 34467467 343119728 /nfs/dbraw/zinc/11/97/28/343119728.db2.gz IQLWJEQETTYONH-WCBMZHEXSA-N 1 0 165.236 0.937 50 0 in-vitro ACAARO Cc1nc2c(c(=O)[nH]1)C[N@H+](C)CC2 34476244 343119776 /nfs/dbraw/zinc/11/97/76/343119776.db2.gz VVQNQUQJWNOZJV-UHFFFAOYSA-N 1 0 179.223 0.066 50 0 in-vitro ACAARO CCCC[C@@H]([NH3+])[C@H](C)O 34467464 343119830 /nfs/dbraw/zinc/11/98/30/343119830.db2.gz NZNMGQIZVLTFIQ-NKWVEPMBSA-N 1 0 131.219 0.885 50 0 ACAARO CCC[N@@H+]1CCC[C@@H](O)C1 34467533 343119844 /nfs/dbraw/zinc/11/98/44/343119844.db2.gz AZQRDHDQFFRTTI-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[NH2+]CCC(C)=O 34493952 343120437 /nfs/dbraw/zinc/12/04/37/343120437.db2.gz MKBRAZBSNHKNFV-UHFFFAOYSA-N 1 0 101.149 0.185 50 0 in-vitro ACAARO Cc1nc(N)ccc1C[NH3+] 34583572 343122355 /nfs/dbraw/zinc/12/23/55/343122355.db2.gz XZFYVUSVVAWJGM-UHFFFAOYSA-N 1 0 137.186 0.431 50 0 ACAARO [NH3+]CCNc1ccc(O)cc1 34579368 343122417 /nfs/dbraw/zinc/12/24/17/343122417.db2.gz BFTCOOLIWWXDEJ-UHFFFAOYSA-N 1 0 152.197 0.763 50 0 ACAARO CC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 34599446 343123103 /nfs/dbraw/zinc/12/31/03/343123103.db2.gz YHOFFCGLSBXFLS-ZJUUUORDSA-N 1 0 182.267 0.607 50 0 ACAARO C[NH2+]CCCCCO 34598860 343123194 /nfs/dbraw/zinc/12/31/94/343123194.db2.gz IUJAXFLKTQXMHJ-UHFFFAOYSA-N 1 0 117.192 0.368 50 0 in-vitro ACAARO CC(C)N1CC([NH3+])C1 34615857 343123413 /nfs/dbraw/zinc/12/34/13/343123413.db2.gz NORUUYRXMOOAHX-UHFFFAOYSA-N 1 0 114.192 0.038 50 0 in-vitro ACAARO CC(C)OC(=O)NC1CC[NH2+]CC1 34626954 343124201 /nfs/dbraw/zinc/12/42/01/343124201.db2.gz JGTGSYCISOQGQC-UHFFFAOYSA-N 1 0 186.255 0.873 50 0 ACAARO CCC(O)(CC)C[NH2+]C 34759600 343124891 /nfs/dbraw/zinc/12/48/91/343124891.db2.gz GAPGLSASPDQDGH-UHFFFAOYSA-N 1 0 131.219 0.757 50 0 ACAARO CCOCCOCCOCC[NH3+] 34751560 343124865 /nfs/dbraw/zinc/12/48/65/343124865.db2.gz WWJVRDMJNJTOBL-UHFFFAOYSA-N 1 0 177.244 0.015 50 0 in-vitro ACAARO CCc1[nH][nH]c(=O)c1CC[NH3+] 34792378 343125069 /nfs/dbraw/zinc/12/50/69/343125069.db2.gz AFTMBKTUAVFFQB-UHFFFAOYSA-N 1 0 155.201 0.179 50 0 in-vitro ACAARO CC[C@@H]1[NH2+]CC[C@H]1O 34783556 343125074 /nfs/dbraw/zinc/12/50/74/343125074.db2.gz IPDNGVSSCFCHRJ-NTSWFWBYSA-N 1 0 115.176 0.119 50 0 ACAARO COc1c(C[NH2+]C2CC2)c(C)nn1C 34825783 343125703 /nfs/dbraw/zinc/12/57/03/343125703.db2.gz ACNUYIMXCYJAFA-UHFFFAOYSA-N 1 0 195.266 0.989 50 0 ACAARO CC[C@H]1C[NH2+]CCCN1CO 34928993 343125810 /nfs/dbraw/zinc/12/58/10/343125810.db2.gz PLZUGWABZWSKMK-QMMMGPOBSA-N 1 0 158.245 0.010 50 0 ACAARO CC[C@@H]1C[NH2+]CCCN1CO 34928991 343125825 /nfs/dbraw/zinc/12/58/25/343125825.db2.gz PLZUGWABZWSKMK-MRVPVSSYSA-N 1 0 158.245 0.010 50 0 ACAARO CN1CC[C@@H](C2CC[NH2+]CC2)CC1=O 34929166 343125893 /nfs/dbraw/zinc/12/58/93/343125893.db2.gz CQALXFUNOJOPGE-SNVBAGLBSA-N 1 0 196.294 0.854 50 0 ACAARO C[NH2+]CC(=O)c1ccc(O)cc1 34929116 343125916 /nfs/dbraw/zinc/12/59/16/343125916.db2.gz MTQOKMDKQJVMSO-UHFFFAOYSA-N 1 0 165.192 0.794 50 0 ACAARO CN(C1CC[NH2+]CC1)[C@H]1CCCO1 34928832 343126003 /nfs/dbraw/zinc/12/60/03/343126003.db2.gz SHFGSEDSIQKGKS-SNVBAGLBSA-N 1 0 184.283 0.807 50 0 ACAARO CN(C1CC[NH2+]CC1)[C@@H]1CCCO1 34928830 343126013 /nfs/dbraw/zinc/12/60/13/343126013.db2.gz SHFGSEDSIQKGKS-JTQLQIEISA-N 1 0 184.283 0.807 50 0 ACAARO CCC1(C[NH3+])COC1 34998345 343127324 /nfs/dbraw/zinc/12/73/24/343127324.db2.gz ULPPDJLROCFNJA-UHFFFAOYSA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO C[NH2+]CC(=O)Nc1ccc(O)cc1 35047772 343127412 /nfs/dbraw/zinc/12/74/12/343127412.db2.gz PRHFXMQJARQDAU-UHFFFAOYSA-N 1 0 180.207 0.550 50 0 in-vitro ACAARO C[C@](N)(C[NH3+])C(F)(F)F 35035337 343127643 /nfs/dbraw/zinc/12/76/43/343127643.db2.gz UCGCJYITRNQIKW-VKHMYHEASA-N 1 0 142.124 0.225 50 0 in-vitro ACAARO Cc1nc(C[NH2+]C[C@H](C)O)cs1 35112576 343128091 /nfs/dbraw/zinc/12/80/91/343128091.db2.gz IGZPPOVACGHAOF-LURJTMIESA-N 1 0 186.280 0.922 50 0 ACAARO C[C@H]1C[N@H+](CCCO)CCO1 35118639 343128591 /nfs/dbraw/zinc/12/85/91/343128591.db2.gz ULYPGBJCDDQWBE-QMMMGPOBSA-N 1 0 159.229 0.090 50 0 ACAARO CN(C(=O)C[NH3+])C1CCCCC1 35219717 343130245 /nfs/dbraw/zinc/13/02/45/343130245.db2.gz MGXJYIVUEUQMEP-UHFFFAOYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO CC[C@@H](CC[NH3+])N1CCCC1=O 35234552 343130540 /nfs/dbraw/zinc/13/05/40/343130540.db2.gz LCLSXZKPBNGZCX-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO C[NH+](C)C1CCN(CCCO)CC1 35247952 343130859 /nfs/dbraw/zinc/13/08/59/343130859.db2.gz UNURFTDVMBFHEI-UHFFFAOYSA-N 1 0 186.299 0.395 50 0 in-vitro ACAARO C[C@H]1CCCC[C@]1(O)C[NH3+] 35278952 343131315 /nfs/dbraw/zinc/13/13/15/343131315.db2.gz RZNRQOBLTCHJRS-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 ACAARO CC(C)[C@@](C)(O)C[NH3+] 35278972 343131322 /nfs/dbraw/zinc/13/13/22/343131322.db2.gz RRBXHIYJTGFUDF-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@H]1CCC[C@](O)(C[NH3+])C1 35278927 343131332 /nfs/dbraw/zinc/13/13/32/343131332.db2.gz HCXBYIHIMJUDJQ-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@H]1CCC[C@@](O)(C[NH3+])C1 35278933 343131354 /nfs/dbraw/zinc/13/13/54/343131354.db2.gz HCXBYIHIMJUDJQ-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO CC(C)[C@](C)(O)C[NH3+] 35278967 343131355 /nfs/dbraw/zinc/13/13/55/343131355.db2.gz RRBXHIYJTGFUDF-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@H]1CCCC[C@@]1(O)C[NH3+] 35278960 343131482 /nfs/dbraw/zinc/13/14/82/343131482.db2.gz RZNRQOBLTCHJRS-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@](O)(C[NH3+])C1CC1 35278891 343131513 /nfs/dbraw/zinc/13/15/13/343131513.db2.gz PSDJRLLXPKWQLH-LURJTMIESA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])c1ccncc1 35287514 343131741 /nfs/dbraw/zinc/13/17/41/343131741.db2.gz OOPUPYCUQJHUPK-VIFPVBQESA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO C[C@H]([NH3+])CNC(=O)OC(C)(C)C 35287404 343131776 /nfs/dbraw/zinc/13/17/76/343131776.db2.gz UYNSYFDLTSSUNI-LURJTMIESA-N 1 0 174.244 0.858 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])c1ccncc1 35287515 343131819 /nfs/dbraw/zinc/13/18/19/343131819.db2.gz OOPUPYCUQJHUPK-SECBINFHSA-N 1 0 165.240 0.643 50 0 in-vitro ACAARO C[S@](=O)c1ccc(C[NH3+])cc1 35287563 343131904 /nfs/dbraw/zinc/13/19/04/343131904.db2.gz OVDPJXUHQXPHIX-LLVKDONJSA-N 1 0 169.249 0.883 50 0 in-vitro ACAARO C[C@H](O)C1CC[NH+](C)CC1 35598596 343132984 /nfs/dbraw/zinc/13/29/84/343132984.db2.gz HLAGCVGLYKTXMD-ZETCQYMHSA-N 1 0 143.230 0.709 50 0 in-vitro ACAARO C[C@H](CO)[NH2+]C1CCN(C)CC1 35603689 343134054 /nfs/dbraw/zinc/13/40/54/343134054.db2.gz KJXCUZCROJYXOO-MRVPVSSYSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[N@H+](CCO)C1CCCC1 35649845 343135541 /nfs/dbraw/zinc/13/55/41/343135541.db2.gz HDGRFLKSNLLPQX-UHFFFAOYSA-N 1 0 143.230 0.853 50 0 ACAARO C[C@H](CO)[NH2+]C1CCSCC1 35652054 343135584 /nfs/dbraw/zinc/13/55/84/343135584.db2.gz ZSTPCSRGJVKEJN-SSDOTTSWSA-N 1 0 175.297 0.852 50 0 ACAARO Cc1ccc([C@@H](N)C[NH3+])o1 35677099 343136558 /nfs/dbraw/zinc/13/65/58/343136558.db2.gz HVRFFLOYIZGOTK-LURJTMIESA-N 1 0 140.186 0.547 50 0 in-vitro ACAARO C[C@H](NC(=O)C[NH3+])c1ccccn1 35694999 343137028 /nfs/dbraw/zinc/13/70/28/343137028.db2.gz GEASRHSCIVTSMS-ZETCQYMHSA-N 1 0 179.223 0.218 50 0 ACAARO C[C@H]1COCCN1C1CC[NH2+]CC1 35776450 343138725 /nfs/dbraw/zinc/13/87/25/343138725.db2.gz OBFRYULEFZNBTJ-VIFPVBQESA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO C[C@H]1COCCN1C[C@@H](C)[NH3+] 35775376 343138802 /nfs/dbraw/zinc/13/88/02/343138802.db2.gz WNGYSVZNVNLSJP-SFYZADRCSA-N 1 0 158.245 0.054 50 0 ACAARO C[C@H]1COCC[N@@H+]1CCCO 35778088 343139362 /nfs/dbraw/zinc/13/93/62/343139362.db2.gz RHJNQHGVPMDJCS-QMMMGPOBSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO CN(C)c1cc[nH+]cc1C=O 35975593 343139975 /nfs/dbraw/zinc/13/99/75/343139975.db2.gz UZSVPQHBQXBRCF-UHFFFAOYSA-N 1 0 150.181 0.960 50 0 in-vitro ACAARO C[NH+](C)C[C@H](O)c1ccc(O)cc1 35986313 343140058 /nfs/dbraw/zinc/14/00/58/343140058.db2.gz WMSYKJQBWJUMLL-JTQLQIEISA-N 1 0 181.235 0.987 50 0 ACAARO C[NH+](C)C1CC[NH+](CC(=O)[O-])CC1 36192544 343141621 /nfs/dbraw/zinc/14/16/21/343141621.db2.gz CFNRPCZEHZEFLA-UHFFFAOYSA-N 1 0 186.255 0.097 50 0 ACAARO CC1(C)CN(CC[NH3+])CCO1 36231969 343142280 /nfs/dbraw/zinc/14/22/80/343142280.db2.gz QCDSWQRGKZQULM-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO Cc1cccn2c(C[NH3+])nnc12 36240477 343142802 /nfs/dbraw/zinc/14/28/02/343142802.db2.gz TVBFJKJFGWEWNN-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 in-vitro ACAARO Cc1ccn2c(C[NH3+])nnc2c1 36240489 343142813 /nfs/dbraw/zinc/14/28/13/343142813.db2.gz HMYNVTFOMRVVHM-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 in-vitro ACAARO C[N@H+](CCC(=O)[O-])C1CC[NH2+]CC1 36301532 343143301 /nfs/dbraw/zinc/14/33/01/343143301.db2.gz YUKYIMWACWFALZ-UHFFFAOYSA-N 1 0 186.255 0.145 50 0 ACAARO CC(C)NC(=O)N[C@H]1CC[NH2+]C1 36288005 343143396 /nfs/dbraw/zinc/14/33/96/343143396.db2.gz UBASIRUCHLTMBN-ZETCQYMHSA-N 1 0 171.244 0.056 50 0 in-vitro ACAARO CCC(=O)N(C)C1CC[NH2+]CC1 36283071 343143550 /nfs/dbraw/zinc/14/35/50/343143550.db2.gz LECBBGYIXBZWIA-UHFFFAOYSA-N 1 0 170.256 0.607 50 0 ACAARO CN(CC[NH3+])C1CCOCC1 36320515 343143654 /nfs/dbraw/zinc/14/36/54/343143654.db2.gz IYBLOPIXTVXFFW-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CC[C@H]1COCCN1CC[NH3+] 36323040 343143822 /nfs/dbraw/zinc/14/38/22/343143822.db2.gz NJROUXZKOATYCN-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 36378392 343144469 /nfs/dbraw/zinc/14/44/69/343144469.db2.gz FPGCNHBNSLPKMJ-SNVBAGLBSA-N 1 0 190.246 0.447 50 0 ACAARO C[N@@H+]1CCc2ncc(N)cc2C1 36404225 343144733 /nfs/dbraw/zinc/14/47/33/343144733.db2.gz YWVJXRLEURDFAJ-UHFFFAOYSA-N 1 0 163.224 0.652 50 0 in-vitro ACAARO C[C@@H]1O[C@H](O)CC[C@H]1[NH+](C)C 36404186 343144801 /nfs/dbraw/zinc/14/48/01/343144801.db2.gz OSOMGRACWFYJNS-RNJXMRFFSA-N 1 0 159.229 0.434 50 0 ACAARO C[C@H]1C[C@H]1[NH3+] 36379813 343144870 /nfs/dbraw/zinc/14/48/70/343144870.db2.gz PYTANBUURZFYHD-IUYQGCFVSA-N 1 0 71.123 0.354 50 0 in-vitro ACAARO Cc1nn(C)c2ncc(C[NH3+])cc12 36379955 343144988 /nfs/dbraw/zinc/14/49/88/343144988.db2.gz QBNWQDQVJPAFGA-UHFFFAOYSA-N 1 0 176.223 0.735 50 0 ACAARO CC12CC(C[NH2+]1)C2 36436712 343145217 /nfs/dbraw/zinc/14/52/17/343145217.db2.gz MXWAUZMHERJQJE-UHFFFAOYSA-N 1 0 97.161 0.758 50 0 ACAARO Cc1ncc(C[NH3+])o1 36533185 343146676 /nfs/dbraw/zinc/14/66/76/343146676.db2.gz FQEVXKSBFMCYTI-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 in-vitro ACAARO Cc1nc(C[NH3+])co1 36533178 343146860 /nfs/dbraw/zinc/14/68/60/343146860.db2.gz ZFKWYIYSYDLCCG-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 ACAARO CC1(CCC[NH3+])OCCO1 36532808 343146867 /nfs/dbraw/zinc/14/68/67/343146867.db2.gz INXCMWOVRDQPDI-UHFFFAOYSA-N 1 0 145.202 0.488 50 0 ACAARO CC[C@@H]1C[NH2+]C[C@@H](C)O1 36673146 343147011 /nfs/dbraw/zinc/14/70/11/343147011.db2.gz JEIHFHDCQHZFAO-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@H](C)O1 36673145 343147077 /nfs/dbraw/zinc/14/70/77/343147077.db2.gz JEIHFHDCQHZFAO-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@@H](C)O1 36673147 343147318 /nfs/dbraw/zinc/14/73/18/343147318.db2.gz JEIHFHDCQHZFAO-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@H](C)O1 36673144 343147352 /nfs/dbraw/zinc/14/73/52/343147352.db2.gz JEIHFHDCQHZFAO-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO C[C@H](C[NH3+])CN1CCCC1=O 36677707 343147813 /nfs/dbraw/zinc/14/78/13/343147813.db2.gz SNLUHYGOYLDESA-SSDOTTSWSA-N 1 0 156.229 0.204 50 0 ACAARO Cc1cn2c(n1)CC[C@@H]([NH3+])C2 36683687 343148131 /nfs/dbraw/zinc/14/81/31/343148131.db2.gz FRZORHXWYZCJLG-SSDOTTSWSA-N 1 0 151.213 0.465 50 0 in-vitro ACAARO Cc1cn2c(n1)CC[C@H]([NH3+])C2 36683686 343148243 /nfs/dbraw/zinc/14/82/43/343148243.db2.gz FRZORHXWYZCJLG-ZETCQYMHSA-N 1 0 151.213 0.465 50 0 in-vitro ACAARO CNC(=O)CC[C@@H]1CCC[NH2+]C1 36757328 343148901 /nfs/dbraw/zinc/14/89/01/343148901.db2.gz VEVZDWIASCMNCY-QMMMGPOBSA-N 1 0 170.256 0.512 50 0 in-vitro ACAARO CNC(=O)CC[C@H]1CCC[NH2+]C1 36757329 343148907 /nfs/dbraw/zinc/14/89/07/343148907.db2.gz VEVZDWIASCMNCY-MRVPVSSYSA-N 1 0 170.256 0.512 50 0 in-vitro ACAARO CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 36757368 343148959 /nfs/dbraw/zinc/14/89/59/343148959.db2.gz WQZWSAVUJCYHMU-SECBINFHSA-N 1 0 184.283 0.854 50 0 ACAARO C[C@H]1CCC[C@]([NH3+])(CO)C1 38124453 343185364 /nfs/dbraw/zinc/18/53/64/343185364.db2.gz YTPOIYYEEUZISJ-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 ACAARO Cc1nc([C@H](C)[NH3+])no1 36762391 343149260 /nfs/dbraw/zinc/14/92/60/343149260.db2.gz UMGKLJLCSFKQCJ-VKHMYHEASA-N 1 0 127.147 0.398 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1noc(C)n1 36762388 343149327 /nfs/dbraw/zinc/14/93/27/343149327.db2.gz WODSLBSTESLUBC-RXMQYKEDSA-N 1 0 141.174 0.788 50 0 in-vitro ACAARO Cc1nc(C(C)(C)[NH3+])no1 36762257 343149384 /nfs/dbraw/zinc/14/93/84/343149384.db2.gz QOGFVKATFSDNGB-UHFFFAOYSA-N 1 0 141.174 0.572 50 0 in-vitro ACAARO Cc1nc([C@@](C)([NH3+])C2CC2)no1 36762200 343149398 /nfs/dbraw/zinc/14/93/98/343149398.db2.gz NNCJALDCIBZIBQ-QMMMGPOBSA-N 1 0 167.212 0.962 50 0 in-vitro ACAARO Cc1nc([C@@H](C)[NH3+])no1 36762389 343149419 /nfs/dbraw/zinc/14/94/19/343149419.db2.gz UMGKLJLCSFKQCJ-GSVOUGTGSA-N 1 0 127.147 0.398 50 0 in-vitro ACAARO CC[C@@H]1CN(CC[NH3+])CCO1 36769218 343149573 /nfs/dbraw/zinc/14/95/73/343149573.db2.gz BTZHHAQXTCOKOC-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 ACAARO Cc1nc([C@](C)([NH3+])C2CC2)no1 36762199 343149632 /nfs/dbraw/zinc/14/96/32/343149632.db2.gz NNCJALDCIBZIBQ-MRVPVSSYSA-N 1 0 167.212 0.962 50 0 in-vitro ACAARO CCc1nc(C(C)(C)[NH3+])no1 36762705 343149660 /nfs/dbraw/zinc/14/96/60/343149660.db2.gz LENWSPLYWGKMCZ-UHFFFAOYSA-N 1 0 155.201 0.826 50 0 in-vitro ACAARO CC[C@H]1CN(CC[NH3+])CCO1 36769219 343149691 /nfs/dbraw/zinc/14/96/91/343149691.db2.gz BTZHHAQXTCOKOC-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 ACAARO CC[C@H]([NH3+])c1noc(C)n1 36762386 343149692 /nfs/dbraw/zinc/14/96/92/343149692.db2.gz WODSLBSTESLUBC-YFKPBYRVSA-N 1 0 141.174 0.788 50 0 in-vitro ACAARO Cc1cc(C)n2c(CC[NH3+])nnc2n1 36827773 343150764 /nfs/dbraw/zinc/15/07/64/343150764.db2.gz MNNPMDGGELPMCC-UHFFFAOYSA-N 1 0 191.238 0.242 50 0 ACAARO C[C@H]([NH3+])c1nnc2ncccn12 36827924 343151067 /nfs/dbraw/zinc/15/10/67/343151067.db2.gz PJGHWNLFALHMCN-YFKPBYRVSA-N 1 0 163.184 0.144 50 0 in-vitro ACAARO Cc1nc(C[NH3+])[nH]c1C 36870908 343151016 /nfs/dbraw/zinc/15/10/16/343151016.db2.gz DACGERARFAQQDA-UHFFFAOYSA-N 1 0 125.175 0.485 50 0 in-vitro ACAARO Cc1nn(CC[NH+](C)C)c(C)c1C=O 36868000 343151275 /nfs/dbraw/zinc/15/12/75/343151275.db2.gz GUXUDDUJQJHUPG-UHFFFAOYSA-N 1 0 195.266 0.874 50 0 ACAARO CC[C@@H]([NH3+])C(=O)N1CCCC1 36870991 343151298 /nfs/dbraw/zinc/15/12/98/343151298.db2.gz LSMYTQPMEHMSCJ-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO CC[C@H]([NH3+])C(=O)N1CCCC1 36870990 343151300 /nfs/dbraw/zinc/15/13/00/343151300.db2.gz LSMYTQPMEHMSCJ-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccco1 36871720 343151655 /nfs/dbraw/zinc/15/16/55/343151655.db2.gz KESOUVLTWJENSJ-SECBINFHSA-N 1 0 196.250 0.975 50 0 ACAARO CC[C@H]([NH3+])C(=O)N(C)Cc1ccco1 36871719 343151661 /nfs/dbraw/zinc/15/16/61/343151661.db2.gz KESOUVLTWJENSJ-VIFPVBQESA-N 1 0 196.250 0.975 50 0 ACAARO CC[C@H]([NH3+])C(=O)NC(C)C 36871010 343151779 /nfs/dbraw/zinc/15/17/79/343151779.db2.gz NBUVGYHBTQAFMN-LURJTMIESA-N 1 0 144.218 0.248 50 0 ACAARO CCC[C@H]([NH3+])C(=O)NCC(F)(F)F 36873000 343152049 /nfs/dbraw/zinc/15/20/49/343152049.db2.gz FEUKZZYQNQEDSE-YFKPBYRVSA-N 1 0 198.188 0.792 50 0 ACAARO CC(C)[C@@H]([NH3+])c1nnc2n1CCC2 36896129 343153092 /nfs/dbraw/zinc/15/30/92/343153092.db2.gz DVVZQDQWNMAEIH-MRVPVSSYSA-N 1 0 180.255 0.880 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1nnc2n1CCC2 36896128 343153348 /nfs/dbraw/zinc/15/33/48/343153348.db2.gz DVVZQDQWNMAEIH-QMMMGPOBSA-N 1 0 180.255 0.880 50 0 in-vitro ACAARO Cc1n[nH]cc1C[NH2+][C@H](C)CO 36901752 343153993 /nfs/dbraw/zinc/15/39/93/343153993.db2.gz RTEGGKHVTAVZQY-ZCFIWIBFSA-N 1 0 169.228 0.189 50 0 ACAARO CC[C@H]([NH3+])c1ncc[nH]1 36912367 343154283 /nfs/dbraw/zinc/15/42/83/343154283.db2.gz IAADPEJYEZPFOT-YFKPBYRVSA-N 1 0 125.175 0.820 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+][C@@H](C)CO1 36986448 343156673 /nfs/dbraw/zinc/15/66/73/343156673.db2.gz WISZZHKHSREDOZ-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 ACAARO CC[C@H]1C[NH2+][C@H](C)CO1 36986447 343156836 /nfs/dbraw/zinc/15/68/36/343156836.db2.gz WISZZHKHSREDOZ-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 ACAARO CC[C@@H]1C[NH2+][C@H](C)CO1 36986446 343156885 /nfs/dbraw/zinc/15/68/85/343156885.db2.gz WISZZHKHSREDOZ-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 ACAARO CN(C)C(=O)C[NH2+]Cc1cccs1 36984146 343156889 /nfs/dbraw/zinc/15/68/89/343156889.db2.gz FGDFRYBHCCQCQU-UHFFFAOYSA-N 1 0 198.291 0.926 50 0 ACAARO CC[C@H]1C[NH2+][C@@H](C)CO1 36986449 343156939 /nfs/dbraw/zinc/15/69/39/343156939.db2.gz WISZZHKHSREDOZ-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 ACAARO CC[C@H]1CCCCN1C(=O)C[NH2+]C 37022411 343157491 /nfs/dbraw/zinc/15/74/91/343157491.db2.gz SBCVYJRPZBKSQP-VIFPVBQESA-N 1 0 184.283 0.997 50 0 ACAARO CC[C@@H]1CCCCN1C(=O)C[NH3+] 37022788 343157759 /nfs/dbraw/zinc/15/77/59/343157759.db2.gz ZREYPZSYOSDWQM-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 ACAARO CC[C@H]1CCCCN1C(=O)C[NH3+] 37022789 343158115 /nfs/dbraw/zinc/15/81/15/343158115.db2.gz ZREYPZSYOSDWQM-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO C[C@H](C[NH3+])N(C)C1CC1 37080620 343158818 /nfs/dbraw/zinc/15/88/18/343158818.db2.gz CJNQYMXCJLLYEA-ZCFIWIBFSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO CN(C)[C@@H](C[NH3+])C(F)(F)F 37169492 343161314 /nfs/dbraw/zinc/16/13/14/343161314.db2.gz AQLFWQJJGJBBIY-BYPYZUCNSA-N 1 0 156.151 0.438 50 0 in-vitro ACAARO CN(C)[C@H](C[NH3+])C(F)(F)F 37169493 343161637 /nfs/dbraw/zinc/16/16/37/343161637.db2.gz AQLFWQJJGJBBIY-SCSAIBSYSA-N 1 0 156.151 0.438 50 0 in-vitro ACAARO C[NH2+]CC(=O)NCC1CCCCC1 37247583 343164417 /nfs/dbraw/zinc/16/44/17/343164417.db2.gz PNOUVJAHTPRAOK-UHFFFAOYSA-N 1 0 184.283 0.902 50 0 ACAARO CN(CC[NH3+])C[C@H]1CCCO1 37267980 343164566 /nfs/dbraw/zinc/16/45/66/343164566.db2.gz WITWIBORFDYHHP-MRVPVSSYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO CN(CC[NH3+])C[C@@H]1CCCO1 37267978 343164695 /nfs/dbraw/zinc/16/46/95/343164695.db2.gz WITWIBORFDYHHP-QMMMGPOBSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO C[NH2+]CCN(C)CC(F)(F)F 37269508 343165077 /nfs/dbraw/zinc/16/50/77/343165077.db2.gz LJCAHQSUHHXWPH-UHFFFAOYSA-N 1 0 170.178 0.700 50 0 in-vitro ACAARO C[NH+](C)Cc1ccc(C(N)=O)cc1N 37272765 343165388 /nfs/dbraw/zinc/16/53/88/343165388.db2.gz UGHUFQTXEZGDKQ-UHFFFAOYSA-N 1 0 193.250 0.429 50 0 in-vitro ACAARO C[NH2+]C1(CN)CCCCC1 37408018 343167563 /nfs/dbraw/zinc/16/75/63/343167563.db2.gz JAIQRJHHIZIWGR-UHFFFAOYSA-N 1 0 142.246 0.867 50 0 in-vitro ACAARO Cc1c[nH]c([C@H](C)[NH3+])n1 37412393 343168089 /nfs/dbraw/zinc/16/80/89/343168089.db2.gz KLZMGVSSVJMZJW-YFKPBYRVSA-N 1 0 125.175 0.738 50 0 ACAARO C[NH+](C)CCn1ccc(N)n1 37418668 343168218 /nfs/dbraw/zinc/16/82/18/343168218.db2.gz QKZGPGWTHXRTLI-UHFFFAOYSA-N 1 0 154.217 0.027 50 0 in-vitro ACAARO Cc1c[nH]c([C@@H](C)[NH3+])n1 37412391 343168291 /nfs/dbraw/zinc/16/82/91/343168291.db2.gz KLZMGVSSVJMZJW-RXMQYKEDSA-N 1 0 125.175 0.738 50 0 ACAARO C[C@]([NH3+])(C(N)=O)c1cccc(Cl)c1 37460088 343168844 /nfs/dbraw/zinc/16/88/44/343168844.db2.gz RIOJSUAJIUTKBN-SECBINFHSA-N 1 0 198.653 0.999 50 0 in-vitro ACAARO C[C@H]([NH3+])C[C@@H]1CCCO1 37466618 343169480 /nfs/dbraw/zinc/16/94/80/343169480.db2.gz ZBYJKUGXJVDDGE-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@H]([NH3+])C[C@H]1CCCO1 37466622 343169491 /nfs/dbraw/zinc/16/94/91/343169491.db2.gz ZBYJKUGXJVDDGE-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[C@H]([NH3+])c1cnccn1 37467081 343169605 /nfs/dbraw/zinc/16/96/05/343169605.db2.gz IIGXIHLJMZQHJY-YFKPBYRVSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1cnccn1 37467057 343169635 /nfs/dbraw/zinc/16/96/35/343169635.db2.gz UIIGJODTCNZNMA-LURJTMIESA-N 1 0 137.186 0.886 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1cnccn1 37467059 343169642 /nfs/dbraw/zinc/16/96/42/343169642.db2.gz UIIGJODTCNZNMA-ZCFIWIBFSA-N 1 0 137.186 0.886 50 0 in-vitro ACAARO CN(CC[NH2+]C1CC1)C1CC1 37476734 343170319 /nfs/dbraw/zinc/17/03/19/343170319.db2.gz RBAPMQFNALMKSV-UHFFFAOYSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC(C)NC(=O)C[C@H](C)[NH3+] 37475631 343170427 /nfs/dbraw/zinc/17/04/27/343170427.db2.gz UNSMDIXGGXNUNN-LURJTMIESA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO CNC(=O)C1([NH3+])CCCC1 37479354 343171030 /nfs/dbraw/zinc/17/10/30/343171030.db2.gz NUFPVTFPTQJADB-UHFFFAOYSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO C[C@H](CO)[NH+]1CCCCC1 37625137 343172333 /nfs/dbraw/zinc/17/23/33/343172333.db2.gz VNLCHZSSJTZGBR-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CCCC(=O)N1CCC([NH2+]C)CC1 37653803 343173031 /nfs/dbraw/zinc/17/30/31/343173031.db2.gz ZERZSFQXEBMMGY-UHFFFAOYSA-N 1 0 184.283 0.997 50 0 ACAARO C[C@H]1C[N@H+](C[C@@H](C)O)CCO1 37693709 343175223 /nfs/dbraw/zinc/17/52/23/343175223.db2.gz VNBLMWVHBZYUMF-SFYZADRCSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO C[C@H](O)COc1ccccc1C[NH3+] 37698940 343176386 /nfs/dbraw/zinc/17/63/86/343176386.db2.gz NRKBCUWYPHVOOA-QMMMGPOBSA-N 1 0 181.235 0.905 50 0 in-vitro ACAARO CC[C@H](C)[C@](C)(O)C[NH3+] 37745372 343177136 /nfs/dbraw/zinc/17/71/36/343177136.db2.gz NPBLCQCTOVOHME-NKWVEPMBSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@H](C)[C@@](C)(O)C[NH3+] 37745374 343177233 /nfs/dbraw/zinc/17/72/33/343177233.db2.gz NPBLCQCTOVOHME-BQBZGAKWSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CN(CC(F)F)C1CC[NH2+]CC1 37756359 343178106 /nfs/dbraw/zinc/17/81/06/343178106.db2.gz SDFZMUXHVPBLHM-UHFFFAOYSA-N 1 0 178.226 0.935 50 0 in-vitro ACAARO CN(CC[NH3+])CC(F)F 37756107 343178185 /nfs/dbraw/zinc/17/81/85/343178185.db2.gz HZWVDKDSDLHMCO-UHFFFAOYSA-N 1 0 138.161 0.142 50 0 in-vitro ACAARO CN(CCO)c1ccccc1C[NH3+] 37899042 343179607 /nfs/dbraw/zinc/17/96/07/343179607.db2.gz SDLNERINWWHAQF-UHFFFAOYSA-N 1 0 180.251 0.574 50 0 ACAARO C[N@H+](CCO)Cc1cc(F)ccc1N 37899178 343179847 /nfs/dbraw/zinc/17/98/47/343179847.db2.gz DHXCGZJVADURRN-UHFFFAOYSA-N 1 0 198.241 0.832 50 0 ACAARO Cc1nc(CN2CC[NH2+]CC2)oc1C 37909128 343180262 /nfs/dbraw/zinc/18/02/62/343180262.db2.gz UXSPOOMNZAMVAH-UHFFFAOYSA-N 1 0 195.266 0.697 50 0 in-vitro ACAARO C[C@H]1CCC[N@@H+]1CCN 37910070 343180541 /nfs/dbraw/zinc/18/05/41/343180541.db2.gz CWCJURPRDOORGY-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC[C@@]([NH3+])(C(N)=O)C(C)C 37941142 343182477 /nfs/dbraw/zinc/18/24/77/343182477.db2.gz VQRGIKOEKZMKNF-ZETCQYMHSA-N 1 0 144.218 0.235 50 0 in-vitro ACAARO CC[C@]([NH3+])(C(N)=O)C(C)C 37941141 343182505 /nfs/dbraw/zinc/18/25/05/343182505.db2.gz VQRGIKOEKZMKNF-SSDOTTSWSA-N 1 0 144.218 0.235 50 0 in-vitro ACAARO C[NH2+]CC[C@@H]1CCCO1 38097261 343184703 /nfs/dbraw/zinc/18/47/03/343184703.db2.gz KHXLJWOBDMGMCQ-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO C[C@]([NH3+])(CO)c1cccc(O)c1 38124575 343185171 /nfs/dbraw/zinc/18/51/71/343185171.db2.gz NDGQNHQZSMXHET-VIFPVBQESA-N 1 0 167.208 0.558 50 0 in-vitro ACAARO C[C@]([NH3+])(CO)C1CC1 38124544 343185303 /nfs/dbraw/zinc/18/53/03/343185303.db2.gz WDHUVSBQEHYCBZ-LURJTMIESA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO Cc1cccc([C@@H]([NH3+])CO)c1 38124649 343185344 /nfs/dbraw/zinc/18/53/44/343185344.db2.gz RJJLTGSKFNJQCZ-VIFPVBQESA-N 1 0 151.209 0.987 50 0 ACAARO CC(C)NCC[NH2+]C(C)C 38202264 343185431 /nfs/dbraw/zinc/18/54/31/343185431.db2.gz MFIGJRRHGZYPDD-UHFFFAOYSA-N 1 0 144.262 0.982 50 0 ACAARO CC[C@@H]1C[NH2+]CCC1=O 38250897 343186329 /nfs/dbraw/zinc/18/63/29/343186329.db2.gz OIKJFJVXBZTLGL-ZCFIWIBFSA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO CN(C)Cc1nc(C(C)(C)[NH3+])no1 38342015 343187335 /nfs/dbraw/zinc/18/73/35/343187335.db2.gz YCPAUBVXIAQZMW-UHFFFAOYSA-N 1 0 184.243 0.325 50 0 in-vitro ACAARO Cc1c[nH+]cc(N)c1N 38457928 343188682 /nfs/dbraw/zinc/18/86/82/343188682.db2.gz OYGKFYFRSKLQJM-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO Cc1ccn2cc(C[NH3+])nc2n1 38549152 343189538 /nfs/dbraw/zinc/18/95/38/343189538.db2.gz KGRHXISGGVDCLF-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 ACAARO CCCC[C@@H]([NH3+])CN 38624278 343189741 /nfs/dbraw/zinc/18/97/41/343189741.db2.gz JVQUBHIPPUVHCN-ZCFIWIBFSA-N 1 0 116.208 0.463 50 0 in-vitro ACAARO CCCC[C@H]([NH3+])CN 38624274 343189755 /nfs/dbraw/zinc/18/97/55/343189755.db2.gz JVQUBHIPPUVHCN-LURJTMIESA-N 1 0 116.208 0.463 50 0 in-vitro ACAARO CC[C@]1(CO)CCC[NH2+]1 49584995 343276159 /nfs/dbraw/zinc/27/61/59/343276159.db2.gz MUDJTIDXZWKQJP-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO COC(=O)N1CC[NH2+]C[C@@H]1C 38810073 343190975 /nfs/dbraw/zinc/19/09/75/343190975.db2.gz FFGQNQREEKKFSL-LURJTMIESA-N 1 0 158.201 0.047 50 0 ACAARO C[n+]1ccccc1C1OCCO1 38846392 343191086 /nfs/dbraw/zinc/19/10/86/343191086.db2.gz JIEFMSHHLZZMTP-UHFFFAOYSA-N 1 0 166.200 0.557 50 0 ACAARO CC1(C)C[C@H]([NH3+])C[C@H](O)C1 38915905 343192218 /nfs/dbraw/zinc/19/22/18/343192218.db2.gz VPTMLCZYRTULJD-RQJHMYQMSA-N 1 0 143.230 0.885 50 0 ACAARO Cc1ncccc1CC[NH3+] 39050262 343193638 /nfs/dbraw/zinc/19/36/38/343193638.db2.gz SXMVJDCOISNPAR-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 ACAARO Cc1cccnc1C(N)=[NH2+] 39049963 343193781 /nfs/dbraw/zinc/19/37/81/343193781.db2.gz ZDVYNLMGTQWKQV-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 in-vitro ACAARO C[N@@H+]1CCc2ncncc2C1 39052981 343194512 /nfs/dbraw/zinc/19/45/12/343194512.db2.gz QZQXULGWXOLHJB-UHFFFAOYSA-N 1 0 149.197 0.465 50 0 in-vitro ACAARO C[C@]1(C(N)=O)CCCC[NH2+]1 39064154 343195465 /nfs/dbraw/zinc/19/54/65/343195465.db2.gz UJJZRIQSYSSYFS-SSDOTTSWSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO CN(C)C1(C[NH3+])CCC1 39074022 343196233 /nfs/dbraw/zinc/19/62/33/343196233.db2.gz OJICYCRCZTYFAV-UHFFFAOYSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC1(C)C[C@](C)([NH3+])C(=O)O1 39072787 343196270 /nfs/dbraw/zinc/19/62/70/343196270.db2.gz PSNZNUVVVCXRNM-ZETCQYMHSA-N 1 0 143.186 0.429 50 0 ACAARO CC(C)n1ccnc1C[NH3+] 39078483 343196477 /nfs/dbraw/zinc/19/64/77/343196477.db2.gz VEFRQAANQSZUOV-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CN(C1CC1)[C@@H]1CC[NH2+]C1 39078728 343196640 /nfs/dbraw/zinc/19/66/40/343196640.db2.gz WAAHWPNLOCBILB-MRVPVSSYSA-N 1 0 140.230 0.443 50 0 ACAARO CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 39078632 343196671 /nfs/dbraw/zinc/19/66/71/343196671.db2.gz GQXWVMNELXHICP-YUMQZZPRSA-N 1 0 140.230 0.300 50 0 ACAARO Cc1cc[nH+]c(NCCO)c1 39090924 343198230 /nfs/dbraw/zinc/19/82/30/343198230.db2.gz RYIZUWRHJVYFRK-UHFFFAOYSA-N 1 0 152.197 0.794 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCO[C@H](CO)C1 39103604 343198955 /nfs/dbraw/zinc/19/89/55/343198955.db2.gz UUAGIRDSIZQDKG-QMMMGPOBSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCO[C@@H](CO)C1 39103645 343199010 /nfs/dbraw/zinc/19/90/10/343199010.db2.gz UUAGIRDSIZQDKG-MRVPVSSYSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO CCc1cn2c(n1)CNCC2 39113388 343199472 /nfs/dbraw/zinc/19/94/72/343199472.db2.gz WJPFFUFOYZQXKC-UHFFFAOYSA-N 1 0 151.213 0.549 50 0 ACAARO C[C@H]1CN2CCCC[C@@H]2C[NH2+]1 39113463 343199601 /nfs/dbraw/zinc/19/96/01/343199601.db2.gz NFFVWTLRGWWYDK-DTWKUNHWSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC(C)OC(=O)N1CC[NH2+]CC1 39113840 343200645 /nfs/dbraw/zinc/20/06/45/343200645.db2.gz DLYGUJAHHVIIMA-UHFFFAOYSA-N 1 0 172.228 0.437 50 0 ACAARO C[C@H]1OCC[C@H]1[NH3+] 39118112 343201957 /nfs/dbraw/zinc/20/19/57/343201957.db2.gz OBFFLNVYKSXULV-RFZPGFLSSA-N 1 0 101.149 0.123 50 0 in-vitro ACAARO Cc1[nH+]cn(C)c1N 39122782 343202729 /nfs/dbraw/zinc/20/27/29/343202729.db2.gz GHXKHKWEVUKGHR-UHFFFAOYSA-N 1 0 111.148 0.311 50 0 in-vitro ACAARO C[C@H]([NH3+])c1c[nH]cn1 39132791 343203116 /nfs/dbraw/zinc/20/31/16/343203116.db2.gz ZHELUGTZRQNNNL-BYPYZUCNSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO C[C@H]1CNCC[N@@H+]1C1CCC1 39135204 343204133 /nfs/dbraw/zinc/20/41/33/343204133.db2.gz VEPASEYGWRUBSU-QMMMGPOBSA-N 1 0 154.257 0.833 50 0 ACAARO CN(C)C[C@H]1CCC[NH2+]1 39141204 343204680 /nfs/dbraw/zinc/20/46/80/343204680.db2.gz SGIJBHQBXMMPRH-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO CN(C)C1(C[NH3+])CC1 39147338 343204738 /nfs/dbraw/zinc/20/47/38/343204738.db2.gz OCITTXIQCCPLRK-UHFFFAOYSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO Cc1nnc(CC[NH3+])s1 39140414 343204877 /nfs/dbraw/zinc/20/48/77/343204877.db2.gz NMSMMEJJXLUOFU-UHFFFAOYSA-N 1 0 143.215 0.348 50 0 in-vitro ACAARO C[C@H]1C[N@H+](C)CC[C@@H]1O 39190905 343205417 /nfs/dbraw/zinc/20/54/17/343205417.db2.gz AHALXAANVVOASS-BQBZGAKWSA-N 1 0 129.203 0.319 50 0 ACAARO C[C@@]1(O)CCC[C@@H]1[NH3+] 39224689 343206597 /nfs/dbraw/zinc/20/65/97/343206597.db2.gz KKBCPZUWBKCECT-NTSWFWBYSA-N 1 0 115.176 0.249 50 0 ACAARO C[C@]1(O)CCC[C@@H]1[NH3+] 39224688 343206667 /nfs/dbraw/zinc/20/66/67/343206667.db2.gz KKBCPZUWBKCECT-WDSKDSINSA-N 1 0 115.176 0.249 50 0 ACAARO C[C@@]1(O)CCC[C@H]1[NH3+] 39224691 343207180 /nfs/dbraw/zinc/20/71/80/343207180.db2.gz KKBCPZUWBKCECT-PHDIDXHHSA-N 1 0 115.176 0.249 50 0 ACAARO C[NH+](C)CCC(C)(C)O 39245037 343207770 /nfs/dbraw/zinc/20/77/70/343207770.db2.gz RJQUVLWORVOTCF-UHFFFAOYSA-N 1 0 131.219 0.709 50 0 ACAARO C[C@H]([NH3+])CC(C)(C)O 39244669 343207873 /nfs/dbraw/zinc/20/78/73/343207873.db2.gz LYLPRVUTJGLNPP-YFKPBYRVSA-N 1 0 117.192 0.495 50 0 ACAARO CCCC(=O)C[NH3+] 39245725 343208202 /nfs/dbraw/zinc/20/82/02/343208202.db2.gz RRPYHFHHVVWXIX-UHFFFAOYSA-N 1 0 101.149 0.314 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCC[C@@H](O)C1 39269041 343208983 /nfs/dbraw/zinc/20/89/83/343208983.db2.gz QVUNMWQRCFABKL-MRVPVSSYSA-N 1 0 143.230 0.852 50 0 ACAARO CC(C)[N@@H+]1CCC[C@H](O)C1 39269040 343209134 /nfs/dbraw/zinc/20/91/34/343209134.db2.gz QVUNMWQRCFABKL-QMMMGPOBSA-N 1 0 143.230 0.852 50 0 ACAARO CC[C@@H]([NH3+])[C@H](O)CC 39294749 343209938 /nfs/dbraw/zinc/20/99/38/343209938.db2.gz IOYVGJNAPMXLLT-PHDIDXHHSA-N 1 0 117.192 0.495 50 0 ACAARO CC[C@H]([NH3+])[C@@H](O)CC 39294751 343210134 /nfs/dbraw/zinc/21/01/34/343210134.db2.gz IOYVGJNAPMXLLT-WDSKDSINSA-N 1 0 117.192 0.495 50 0 ACAARO CN(C)c1ccc(N)c(N)[nH+]1 39310574 343210326 /nfs/dbraw/zinc/21/03/26/343210326.db2.gz SBFIIMQCNYORSQ-UHFFFAOYSA-N 1 0 152.201 0.312 50 0 ACAARO CNC1=[NH+]CCC1 39319773 343210541 /nfs/dbraw/zinc/21/05/41/343210541.db2.gz LSAWFHNFIJBGMR-UHFFFAOYSA-N 1 0 98.149 0.398 50 0 in-vitro ACAARO C[C@H](O)CC1CC[NH2+]CC1 39340849 343210720 /nfs/dbraw/zinc/21/07/20/343210720.db2.gz GHQBJLLYEHMIQT-ZETCQYMHSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)CCC[N@@H+]1CCN 39321249 343210811 /nfs/dbraw/zinc/21/08/11/343210811.db2.gz ZSHAGSDVWLLMSY-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 ACAARO CC[C@H]1C[C@@H]1[NH3+] 39348468 343211115 /nfs/dbraw/zinc/21/11/15/343211115.db2.gz GAZWKJNMLLGPKV-WHFBIAKZSA-N 1 0 85.150 0.744 50 0 ACAARO CC(C)[NH2+]CCCCO 39347528 343211126 /nfs/dbraw/zinc/21/11/26/343211126.db2.gz IPLWOCGPIGUXOR-UHFFFAOYSA-N 1 0 131.219 0.757 50 0 in-vitro ACAARO CC[C@@H]1C[C@@H]1[NH3+] 39348467 343211165 /nfs/dbraw/zinc/21/11/65/343211165.db2.gz GAZWKJNMLLGPKV-UHNVWZDZSA-N 1 0 85.150 0.744 50 0 ACAARO CC[C@H]1C[C@H]1[NH3+] 39348470 343211179 /nfs/dbraw/zinc/21/11/79/343211179.db2.gz GAZWKJNMLLGPKV-CRCLSJGQSA-N 1 0 85.150 0.744 50 0 ACAARO [NH3+]Cc1cc[nH]n1 39363549 343211180 /nfs/dbraw/zinc/21/11/80/343211180.db2.gz NFVHOMLFDUHIEV-SCSAIBSYSA-N 1 0 97.121 0.293 50 0 ACAARO [NH3+]Cc1cc[nH]n1 39363548 343211278 /nfs/dbraw/zinc/21/12/78/343211278.db2.gz NFVHOMLFDUHIEV-BYPYZUCNSA-N 1 0 97.121 0.293 50 0 ACAARO Cc1[nH]c[nH+]c1N 39372185 343211572 /nfs/dbraw/zinc/21/15/72/343211572.db2.gz XVZKKIYWHYCKLD-UHFFFAOYSA-N 1 0 97.121 0.300 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])C(C)(C)O 39434535 343212507 /nfs/dbraw/zinc/21/25/07/343212507.db2.gz HPSNEEWVFSIINY-LURJTMIESA-N 1 0 131.219 0.741 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])C(C)(C)O 39434536 343212619 /nfs/dbraw/zinc/21/26/19/343212619.db2.gz HPSNEEWVFSIINY-ZCFIWIBFSA-N 1 0 131.219 0.741 50 0 ACAARO C[C@H](O)C(C)(C)[NH3+] 39598833 343213332 /nfs/dbraw/zinc/21/33/32/343213332.db2.gz RICKMFQXMYMBNY-BYPYZUCNSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO CNCC[NH2+]C(C)(C)C 39712269 343213847 /nfs/dbraw/zinc/21/38/47/343213847.db2.gz GKHFZYFZIWRXEJ-UHFFFAOYSA-N 1 0 130.235 0.594 50 0 ACAARO CCCCC[NH2+]CCNC 39712239 343214068 /nfs/dbraw/zinc/21/40/68/343214068.db2.gz SYFHKIGUPPJUMS-UHFFFAOYSA-N 1 0 144.262 0.986 50 0 ACAARO CNCC[NH2+]C(C)C 39712243 343214119 /nfs/dbraw/zinc/21/41/19/343214119.db2.gz OBUILYJKCCEQEW-UHFFFAOYSA-N 1 0 116.208 0.204 50 0 ACAARO CC1(C)C[C@@H]([NH2+]CCN)CCO1 39949695 343214424 /nfs/dbraw/zinc/21/44/24/343214424.db2.gz PLININLXCGRHGM-QMMMGPOBSA-N 1 0 172.272 0.492 50 0 ACAARO CC(C)[C@@](C)([NH3+])CO 39952048 343214445 /nfs/dbraw/zinc/21/44/45/343214445.db2.gz NDBACGDBUINENU-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1 39957297 343214450 /nfs/dbraw/zinc/21/44/50/343214450.db2.gz ZUILOGVUGKBLHW-YUMQZZPRSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO Cc1[nH+]ccc(N)c1N 40448329 343218418 /nfs/dbraw/zinc/21/84/18/343218418.db2.gz CXCMHIHWZCWXQU-UHFFFAOYSA-N 1 0 123.159 0.554 50 0 in-vitro ACAARO CC[C@H](C)[C@H]1CNCC[NH2+]1 39952840 343214511 /nfs/dbraw/zinc/21/45/11/343214511.db2.gz ZENDJDOEMBDKCK-JGVFFNPUSA-N 1 0 142.246 0.594 50 0 in-vitro ACAARO CC(C)[C@](C)([NH3+])CO 39952049 343214561 /nfs/dbraw/zinc/21/45/61/343214561.db2.gz NDBACGDBUINENU-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC1(C)C[C@H]([NH2+]CCN)CCO1 39949694 343214571 /nfs/dbraw/zinc/21/45/71/343214571.db2.gz PLININLXCGRHGM-MRVPVSSYSA-N 1 0 172.272 0.492 50 0 ACAARO CCC[NH+]1CCN(C(=O)N(C)C)CC1 40023643 343214829 /nfs/dbraw/zinc/21/48/29/343214829.db2.gz ICZQGXATMIGXNO-UHFFFAOYSA-N 1 0 199.298 0.696 50 0 ACAARO CN(C)[C@@H]1CCC[C@@H]1[NH3+] 40162785 343215205 /nfs/dbraw/zinc/21/52/05/343215205.db2.gz VCJNAZAMCYBDCP-NKWVEPMBSA-N 1 0 128.219 0.428 50 0 ACAARO CN(C)[C@@H]1CCC[C@H]1[NH3+] 40162787 343215232 /nfs/dbraw/zinc/21/52/32/343215232.db2.gz VCJNAZAMCYBDCP-RNFRBKRXSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO C[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 40161804 343215320 /nfs/dbraw/zinc/21/53/20/343215320.db2.gz HOBYEBJOSXGTHC-VIFPVBQESA-N 1 0 184.283 0.807 50 0 ACAARO CN(C)[C@H]1CCC[C@H]1[NH3+] 40162788 343215365 /nfs/dbraw/zinc/21/53/65/343215365.db2.gz VCJNAZAMCYBDCP-RQJHMYQMSA-N 1 0 128.219 0.428 50 0 ACAARO CN(C)c1ccnc(C[NH3+])n1 40543263 343220283 /nfs/dbraw/zinc/22/02/83/343220283.db2.gz UFNSRUAIRVKPID-UHFFFAOYSA-N 1 0 152.201 0.001 50 0 ACAARO CN1CCc2ccccc2[C@H]([NH3+])C1=O 40435031 343217911 /nfs/dbraw/zinc/21/79/11/343217911.db2.gz RETLCOJLSHBJEZ-JTQLQIEISA-N 1 0 190.246 0.701 50 0 in-vitro ACAARO CC1(C)C[NH2+]CC[C@H]1O 40448343 343218332 /nfs/dbraw/zinc/21/83/32/343218332.db2.gz ZCCBPOMEIUZJMR-ZCFIWIBFSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO CN1CCc2ccccc2[C@@H]([NH3+])C1=O 40442497 343218458 /nfs/dbraw/zinc/21/84/58/343218458.db2.gz RETLCOJLSHBJEZ-SNVBAGLBSA-N 1 0 190.246 0.701 50 0 in-vitro ACAARO CC(C)[C@@H]1COCC[NH2+]1 40449034 343218626 /nfs/dbraw/zinc/21/86/26/343218626.db2.gz ICNOQWMTDGMVGW-ZETCQYMHSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CC(C)[C@H]1COCC[NH2+]1 40449035 343218764 /nfs/dbraw/zinc/21/87/64/343218764.db2.gz ICNOQWMTDGMVGW-SSDOTTSWSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO Cc1nc2c([nH]1)C[NH2+]CC2 40448756 343218919 /nfs/dbraw/zinc/21/89/19/343218919.db2.gz CVDDYBUFDUAOJL-UHFFFAOYSA-N 1 0 137.186 0.364 50 0 in-vitro ACAARO CN(C)C(=O)C[NH2+]CC(C)(C)C 40493739 343219083 /nfs/dbraw/zinc/21/90/83/343219083.db2.gz AITAJZHJFOIHGK-UHFFFAOYSA-N 1 0 172.272 0.710 50 0 ACAARO C[C@]1(C[NH3+])CCCC[C@H]1O 40537848 343219579 /nfs/dbraw/zinc/21/95/79/343219579.db2.gz QLYKVUZCAZHWAG-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@]1(C[NH3+])CCCC[C@@H]1O 40537846 343219898 /nfs/dbraw/zinc/21/98/98/343219898.db2.gz QLYKVUZCAZHWAG-JGVFFNPUSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO CC(C)OC[C@@H]1C[NH2+]CCO1 40542840 343220047 /nfs/dbraw/zinc/22/00/47/343220047.db2.gz SLPUHYSYZSKHFL-QMMMGPOBSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO C[C@H](O)CC(C)(C)C[NH3+] 40544565 343220091 /nfs/dbraw/zinc/22/00/91/343220091.db2.gz HURLLCJYGATXPR-LURJTMIESA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)Cn1ccnc1C[NH3+] 40543852 343220168 /nfs/dbraw/zinc/22/01/68/343220168.db2.gz CRXNCIWFXSEVPU-UHFFFAOYSA-N 1 0 153.229 0.998 50 0 in-vitro ACAARO Cc1ncncc1[C@@H](C)[NH3+] 40542616 343220172 /nfs/dbraw/zinc/22/01/72/343220172.db2.gz PDRFTFDMIONXGA-RXMQYKEDSA-N 1 0 137.186 0.805 50 0 in-vitro ACAARO CC(C)OC[C@H]1C[NH2+]CCO1 40542843 343220213 /nfs/dbraw/zinc/22/02/13/343220213.db2.gz SLPUHYSYZSKHFL-MRVPVSSYSA-N 1 0 159.229 0.400 50 0 in-vitro ACAARO C[C@H]1CC(=O)C[C@H](C)[NH2+]1 40539471 343220254 /nfs/dbraw/zinc/22/02/54/343220254.db2.gz LVYOYMNCAWSORG-WDSKDSINSA-N 1 0 127.187 0.716 50 0 in-vitro ACAARO C[NH2+]CCOc1ccc(CO)cc1 40711274 343221394 /nfs/dbraw/zinc/22/13/94/343221394.db2.gz LXAZCQKCMKWKAW-UHFFFAOYSA-N 1 0 181.235 0.777 50 0 ACAARO C[C@H]1CC[N@H+](CCO)C1 40724128 343221791 /nfs/dbraw/zinc/22/17/91/343221791.db2.gz ZOTVJESZONIGGS-ZETCQYMHSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO Cc1cc(NC2CC[NH2+]CC2)ncn1 40727534 343222081 /nfs/dbraw/zinc/22/20/81/343222081.db2.gz XPDSIWFKRJJSHS-UHFFFAOYSA-N 1 0 192.266 0.949 50 0 ACAARO CC(C)NC(=O)N1CCC[C@H]([NH3+])C1 41028699 343225535 /nfs/dbraw/zinc/22/55/35/343225535.db2.gz SVDLSVYPMDRYMR-QMMMGPOBSA-N 1 0 185.271 0.528 50 0 ACAARO CCC(=O)N1CCC[C@H]([NH3+])C1 41028457 343225688 /nfs/dbraw/zinc/22/56/88/343225688.db2.gz KEGNZWDFAVMDJK-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO Cc1nc(CN2CCC[C@@H]([NH3+])C2)no1 41029922 343225741 /nfs/dbraw/zinc/22/57/41/343225741.db2.gz KMPWQEFTHIBTNR-MRVPVSSYSA-N 1 0 196.254 0.301 50 0 ACAARO Cc1nc(CN2CCC[C@H]([NH3+])C2)no1 41029921 343225738 /nfs/dbraw/zinc/22/57/38/343225738.db2.gz KMPWQEFTHIBTNR-QMMMGPOBSA-N 1 0 196.254 0.301 50 0 ACAARO CC(C)[C@@H]([NH3+])c1ncon1 41049602 343227009 /nfs/dbraw/zinc/22/70/09/343227009.db2.gz CVIXBBCQZLBQKL-RXMQYKEDSA-N 1 0 141.174 0.725 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1ncon1 41049601 343227195 /nfs/dbraw/zinc/22/71/95/343227195.db2.gz CVIXBBCQZLBQKL-YFKPBYRVSA-N 1 0 141.174 0.725 50 0 in-vitro ACAARO CC[C@H](C)[C@H](O)C[NH3+] 41050386 343227631 /nfs/dbraw/zinc/22/76/31/343227631.db2.gz DPHVQNBKFLZZJA-NTSWFWBYSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1cc[nH]n1 41053030 343228142 /nfs/dbraw/zinc/22/81/42/343228142.db2.gz KCYGESYSBXWUJF-YFKPBYRVSA-N 1 0 125.175 0.299 50 0 ACAARO C[C@H]([NH3+])[C@H](C)N1CCOCC1 41053711 343228579 /nfs/dbraw/zinc/22/85/79/343228579.db2.gz GUSHEMUDDUPEBZ-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H](C)n1cncn1 41053904 343228628 /nfs/dbraw/zinc/22/86/28/343228628.db2.gz YYLBLMYFEQNWIL-WDSKDSINSA-N 1 0 140.190 0.186 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](C)n1cncn1 41053902 343228653 /nfs/dbraw/zinc/22/86/53/343228653.db2.gz YYLBLMYFEQNWIL-NTSWFWBYSA-N 1 0 140.190 0.186 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](C)N1CCOCC1 41053709 343228662 /nfs/dbraw/zinc/22/86/62/343228662.db2.gz GUSHEMUDDUPEBZ-JGVFFNPUSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CC(C)c1nnc([C@H](C)[NH3+])[nH]1 41058550 343228869 /nfs/dbraw/zinc/22/88/69/343228869.db2.gz DRBNIMQCGWBAAI-YFKPBYRVSA-N 1 0 154.217 0.948 50 0 in-vitro ACAARO CC(C)c1n[nH]c(CC[NH3+])n1 41058548 343228923 /nfs/dbraw/zinc/22/89/23/343228923.db2.gz GSFXHRLTEGWUDC-UHFFFAOYSA-N 1 0 154.217 0.429 50 0 ACAARO CC(C)c1nnc([C@@H](C)[NH3+])[nH]1 41058549 343229259 /nfs/dbraw/zinc/22/92/59/343229259.db2.gz DRBNIMQCGWBAAI-RXMQYKEDSA-N 1 0 154.217 0.948 50 0 in-vitro ACAARO CC(C)c1nnc(C[NH3+])[nH]1 41058547 343229420 /nfs/dbraw/zinc/22/94/20/343229420.db2.gz FRHFXFXZSQDYBC-UHFFFAOYSA-N 1 0 140.190 0.387 50 0 ACAARO C[NH2+]C1(CO)CCSCC1 41058917 343229933 /nfs/dbraw/zinc/22/99/33/343229933.db2.gz KWLXIBTYPGGAEF-UHFFFAOYSA-N 1 0 161.270 0.464 50 0 in-vitro ACAARO CC1(C[NH3+])OCCCO1 41125616 343230467 /nfs/dbraw/zinc/23/04/67/343230467.db2.gz IOKSMCQYNCJYHC-UHFFFAOYSA-N 1 0 131.175 0.098 50 0 in-vitro ACAARO CCC(=O)C1CC[NH2+]CC1 41166948 343230476 /nfs/dbraw/zinc/23/04/76/343230476.db2.gz IKRIFOGVLOSHNH-UHFFFAOYSA-N 1 0 141.214 0.965 50 0 ACAARO Cc1cc(CC[NH3+])nn1C 41166905 343230569 /nfs/dbraw/zinc/23/05/69/343230569.db2.gz MROGDRNGLIIEKZ-UHFFFAOYSA-N 1 0 139.202 0.230 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCN1C1CC1 41166921 343230573 /nfs/dbraw/zinc/23/05/73/343230573.db2.gz CMWWWZDHOHKRPR-ZETCQYMHSA-N 1 0 140.230 0.443 50 0 ACAARO C[C@H](c1ccccc1)[C@@H]([NH3+])C(N)=O 41085125 343230579 /nfs/dbraw/zinc/23/05/79/343230579.db2.gz BUQIBZOVGKPKSN-VXNVDRBHSA-N 1 0 178.235 0.603 50 0 in-vitro ACAARO CC(C)[C@H](O)CC[NH3+] 41166817 343230623 /nfs/dbraw/zinc/23/06/23/343230623.db2.gz ZTKFDYZSGCIKNI-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)[C@@H](O)CC[NH3+] 41166819 343230714 /nfs/dbraw/zinc/23/07/14/343230714.db2.gz ZTKFDYZSGCIKNI-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@H](c1ccccc1)[C@H]([NH3+])C(N)=O 41085122 343230726 /nfs/dbraw/zinc/23/07/26/343230726.db2.gz BUQIBZOVGKPKSN-APPZFPTMSA-N 1 0 178.235 0.603 50 0 in-vitro ACAARO C[NH+](C)[C@H](CO)c1cccnc1 41168047 343230919 /nfs/dbraw/zinc/23/09/19/343230919.db2.gz OBIRRVBGIRVTSV-SECBINFHSA-N 1 0 166.224 0.677 50 0 ACAARO C[NH+](C)[C@@H](CO)c1cccnc1 41168045 343230936 /nfs/dbraw/zinc/23/09/36/343230936.db2.gz OBIRRVBGIRVTSV-VIFPVBQESA-N 1 0 166.224 0.677 50 0 ACAARO C[NH+](C)CCCN1CCOCC1 41168583 343231185 /nfs/dbraw/zinc/23/11/85/343231185.db2.gz WOVGPTWDVHNCLE-UHFFFAOYSA-N 1 0 172.272 0.270 50 0 ACAARO CC[C@H](C)NC(=O)C[NH+]1CCCC1 41362272 343232996 /nfs/dbraw/zinc/23/29/96/343232996.db2.gz OCJQDQBOPRUQSF-VIFPVBQESA-N 1 0 184.283 0.997 50 0 ACAARO C[C@H]1CCCC[N@@H+]1CC(=O)N(C)C 41362576 343233136 /nfs/dbraw/zinc/23/31/36/343233136.db2.gz ASZORCMRTYJNPV-VIFPVBQESA-N 1 0 184.283 0.949 50 0 ACAARO CNC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 41363032 343233203 /nfs/dbraw/zinc/23/32/03/343233203.db2.gz OQDNVVQCKWELKM-IUCAKERBSA-N 1 0 184.283 0.710 50 0 ACAARO C[C@H]1C[N@H+](C)C[C@@H](C)O1 41363260 343233587 /nfs/dbraw/zinc/23/35/87/343233587.db2.gz APOJIILNJVLCQE-KNVOCYPGSA-N 1 0 129.203 0.725 50 0 in-vitro ACAARO C[C@H]1C[NH+](C)C[C@H](C)O1 41363262 343233597 /nfs/dbraw/zinc/23/35/97/343233597.db2.gz APOJIILNJVLCQE-BQBZGAKWSA-N 1 0 129.203 0.725 50 0 in-vitro ACAARO CCCC(=O)N1CCC[C@H]([NH3+])C1 41665739 343235628 /nfs/dbraw/zinc/23/56/28/343235628.db2.gz VNQURLBIUSRNIW-QMMMGPOBSA-N 1 0 170.256 0.736 50 0 ACAARO Cc1nnc(C[NH3+])n1C1CC1 42031395 343236398 /nfs/dbraw/zinc/23/63/98/343236398.db2.gz HHRQDUMUIKOXIB-UHFFFAOYSA-N 1 0 152.201 0.380 50 0 in-vitro ACAARO CC(C)[C@H]([NH3+])c1nnc[nH]1 42040908 343237495 /nfs/dbraw/zinc/23/74/95/343237495.db2.gz JNAWOXFYVZVZJF-YFKPBYRVSA-N 1 0 140.190 0.461 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])c1nnc[nH]1 42040911 343237512 /nfs/dbraw/zinc/23/75/12/343237512.db2.gz JNAWOXFYVZVZJF-RXMQYKEDSA-N 1 0 140.190 0.461 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1nnc[nH]1 42041085 343237568 /nfs/dbraw/zinc/23/75/68/343237568.db2.gz JVRJGKGIUIZPDE-SCSAIBSYSA-N 1 0 126.163 0.215 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1nnc[nH]1 42041082 343237595 /nfs/dbraw/zinc/23/75/95/343237595.db2.gz JVRJGKGIUIZPDE-BYPYZUCNSA-N 1 0 126.163 0.215 50 0 in-vitro ACAARO CC(C)n1nccc1NC(=O)C[NH3+] 42237593 343238963 /nfs/dbraw/zinc/23/89/63/343238963.db2.gz JEUDTZFCBCOHKM-UHFFFAOYSA-N 1 0 182.227 0.361 50 0 ACAARO Cc1nc(C)n([C@H]2CCC[NH2+]C2)n1 42290490 343239332 /nfs/dbraw/zinc/23/93/32/343239332.db2.gz BAOHPMOOLLSPSO-VIFPVBQESA-N 1 0 180.255 0.819 50 0 in-vitro ACAARO Cc1nc(C)n([C@@H]2CCC[NH2+]C2)n1 42290487 343239531 /nfs/dbraw/zinc/23/95/31/343239531.db2.gz BAOHPMOOLLSPSO-SECBINFHSA-N 1 0 180.255 0.819 50 0 in-vitro ACAARO C[NH2+]C1CCS(=O)CC1 42335423 343239911 /nfs/dbraw/zinc/23/99/11/343239911.db2.gz AMYXHUJOKNHQNT-UHFFFAOYSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO Cc1nc(C[NH3+])n(C)c1C 42383655 343241126 /nfs/dbraw/zinc/24/11/26/343241126.db2.gz GQBHJQMCIUZWGP-UHFFFAOYSA-N 1 0 139.202 0.496 50 0 in-vitro ACAARO C[C@H](CO)C1CC[NH2+]CC1 42384146 343241329 /nfs/dbraw/zinc/24/13/29/343241329.db2.gz SELWGLUXAIGHLL-SSDOTTSWSA-N 1 0 143.230 0.614 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnc(N)s1 42384386 343241466 /nfs/dbraw/zinc/24/14/66/343241466.db2.gz GSVLRMMVNXHIMU-REOHCLBHSA-N 1 0 144.203 0.140 50 0 in-vitro ACAARO CC[C@@H]([NH3+])CCOC 42436469 343242836 /nfs/dbraw/zinc/24/28/36/343242836.db2.gz CDILNRQXLHFPSL-ZCFIWIBFSA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CN(CC(N)=[NH2+])C(=O)OC(C)(C)C 42463276 343243852 /nfs/dbraw/zinc/24/38/52/343243852.db2.gz AWOGCTDCOUPHDO-UHFFFAOYSA-N 1 0 187.243 0.789 50 0 in-vitro ACAARO Cn1cc(C[N@H+](C)CC(C)(C)O)cn1 42489179 343244257 /nfs/dbraw/zinc/24/42/57/343244257.db2.gz IPPKBDYTUWMVIV-UHFFFAOYSA-N 1 0 197.282 0.623 50 0 ACAARO CN1CCC[C@H]2C[NH2+]C[C@@H]21 42684203 343248352 /nfs/dbraw/zinc/24/83/52/343248352.db2.gz QVLUVOZDWSAEIP-YUMQZZPRSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO CCC(=O)O[C@H]1CCC[NH2+]C1 42768934 343248818 /nfs/dbraw/zinc/24/88/18/343248818.db2.gz KTCIOPXDXBUFRG-ZETCQYMHSA-N 1 0 157.213 0.692 50 0 ACAARO CCC(=O)O[C@@H]1CCC[NH2+]C1 42768930 343248825 /nfs/dbraw/zinc/24/88/25/343248825.db2.gz KTCIOPXDXBUFRG-SSDOTTSWSA-N 1 0 157.213 0.692 50 0 ACAARO CCC(=O)OCC1CC[NH2+]CC1 42768949 343248859 /nfs/dbraw/zinc/24/88/59/343248859.db2.gz GXNQCPPPLQNANH-UHFFFAOYSA-N 1 0 171.240 0.939 50 0 ACAARO CCC(=O)O[C@@H]1CC[NH2+]C1 42768985 343248900 /nfs/dbraw/zinc/24/89/00/343248900.db2.gz CZMQRPFNQOJFKU-ZCFIWIBFSA-N 1 0 143.186 0.302 50 0 ACAARO CCC(=O)OC[C@H]1CCC[NH2+]C1 42768944 343248938 /nfs/dbraw/zinc/24/89/38/343248938.db2.gz RLTCSJMXSSCIGM-QMMMGPOBSA-N 1 0 171.240 0.939 50 0 ACAARO CCC(=O)O[C@H]1CC[NH2+]C1 42768990 343248993 /nfs/dbraw/zinc/24/89/93/343248993.db2.gz CZMQRPFNQOJFKU-LURJTMIESA-N 1 0 143.186 0.302 50 0 ACAARO CCC(=O)OC[C@H]1CC[NH2+]C1 42768980 343248999 /nfs/dbraw/zinc/24/89/99/343248999.db2.gz DZABSSLCAIHBIK-ZETCQYMHSA-N 1 0 157.213 0.549 50 0 ACAARO CCCCOC1C[NH2+]C1 42769767 343249033 /nfs/dbraw/zinc/24/90/33/343249033.db2.gz XOQLHGDEBDNAFS-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCC(=O)OC[C@@H]1CC[NH2+]C1 42768975 343249057 /nfs/dbraw/zinc/24/90/57/343249057.db2.gz DZABSSLCAIHBIK-SSDOTTSWSA-N 1 0 157.213 0.549 50 0 ACAARO CN(CCO)C[C@H]1CCCC[NH2+]1 42783443 343249212 /nfs/dbraw/zinc/24/92/12/343249212.db2.gz UQUJVTULDKKSQK-SECBINFHSA-N 1 0 172.272 0.053 50 0 ACAARO CN(CC1CCOCC1)[C@H]1CC[NH2+]C1 42783326 343249232 /nfs/dbraw/zinc/24/92/32/343249232.db2.gz HCHMGRIRFKWHEZ-NSHDSACASA-N 1 0 198.310 0.707 50 0 in-vitro ACAARO CN(CCO)C[C@@H]1CCCC[NH2+]1 42783442 343249366 /nfs/dbraw/zinc/24/93/66/343249366.db2.gz UQUJVTULDKKSQK-VIFPVBQESA-N 1 0 172.272 0.053 50 0 ACAARO CC(C)OC1C[NH2+]C1 42770160 343249496 /nfs/dbraw/zinc/24/94/96/343249496.db2.gz QQOPXZDLCMWTIO-UHFFFAOYSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CCCCN1CC[NH2+]CCC1=O 42784333 343249703 /nfs/dbraw/zinc/24/97/03/343249703.db2.gz JMUKCQSAVQHDQY-UHFFFAOYSA-N 1 0 170.256 0.608 50 0 ACAARO C[N@@H+]1CCC[C@@H](CCO)C1 42784354 343249718 /nfs/dbraw/zinc/24/97/18/343249718.db2.gz PLZATTBQOOIXMS-QMMMGPOBSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO CC(C)c1nc2c(c(=O)[nH]1)C[NH2+]C2 42784273 343249744 /nfs/dbraw/zinc/24/97/44/343249744.db2.gz FPNLEESGVBLUIW-UHFFFAOYSA-N 1 0 179.223 0.497 50 0 ACAARO CCc1ncc2c(n1)C[NH2+]C2 42784265 343249759 /nfs/dbraw/zinc/24/97/59/343249759.db2.gz QZSKCCGHFJFUOS-UHFFFAOYSA-N 1 0 149.197 0.642 50 0 ACAARO C[N@@H+]1CCC[C@H](CCO)C1 42784353 343249870 /nfs/dbraw/zinc/24/98/70/343249870.db2.gz PLZATTBQOOIXMS-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO COC(=O)C1C[C@H]2C[NH2+]C[C@@H]2C1 43200224 343250499 /nfs/dbraw/zinc/25/04/99/343250499.db2.gz FHIJCASAUMRSAS-YUMQZZPRSA-N 1 0 169.224 0.405 50 0 ACAARO COC(=O)C1C[C@@H]2C[NH2+]C[C@H]2C1 43200225 343250613 /nfs/dbraw/zinc/25/06/13/343250613.db2.gz FHIJCASAUMRSAS-HTQZYQBOSA-N 1 0 169.224 0.405 50 0 ACAARO CC(C)[NH2+][C@H]1CCCNC1 43323675 343251217 /nfs/dbraw/zinc/25/12/17/343251217.db2.gz XAXUUHPCEVNZFT-QMMMGPOBSA-N 1 0 142.246 0.736 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@H](O)C(F)(F)F 43384948 343251739 /nfs/dbraw/zinc/25/17/39/343251739.db2.gz GWSYPURAMKENMH-IMJSIDKUSA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@H](O)C(F)(F)F 43384950 343251743 /nfs/dbraw/zinc/25/17/43/343251743.db2.gz GWSYPURAMKENMH-DMTCNVIQSA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H]1CCCO1 43422325 343252022 /nfs/dbraw/zinc/25/20/22/343252022.db2.gz WRDLTPMUGXTIAM-NTSWFWBYSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H]1CCCO1 43422323 343252273 /nfs/dbraw/zinc/25/22/73/343252273.db2.gz WRDLTPMUGXTIAM-WDSKDSINSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO Cc1ccc(C[NH3+])c(-n2cncn2)n1 43396065 343252131 /nfs/dbraw/zinc/25/21/31/343252131.db2.gz GDVKCISEWMDXJJ-UHFFFAOYSA-N 1 0 189.222 0.429 50 0 ACAARO C[C@H]([NH3+])C[C@H]1CCOC1 44461675 343265831 /nfs/dbraw/zinc/26/58/31/343265831.db2.gz WLKLSUSLRNERQN-NKWVEPMBSA-N 1 0 129.203 0.760 50 0 ACAARO C[NH2+]CCC(=O)Nc1cccnc1 43599574 343256125 /nfs/dbraw/zinc/25/61/25/343256125.db2.gz JWESCEYNLBVYTF-UHFFFAOYSA-N 1 0 179.223 0.630 50 0 ACAARO CC(C)[N@@H+]1CC[C@@H](O)C1 43794305 343259201 /nfs/dbraw/zinc/25/92/01/343259201.db2.gz MYFPIRLHESHOGR-SSDOTTSWSA-N 1 0 129.203 0.461 50 0 in-vitro ACAARO CCc1nnc([C@@H]2C[NH2+]CCO2)[nH]1 43705450 343259355 /nfs/dbraw/zinc/25/93/55/343259355.db2.gz RUOBZLJWEMZMRP-LURJTMIESA-N 1 0 182.227 0.028 50 0 in-vitro ACAARO CC(C)c1nnc([C@@H]2C[NH2+]CCO2)[nH]1 43705454 343259520 /nfs/dbraw/zinc/25/95/20/343259520.db2.gz LHFXYMDEEGINSH-ZETCQYMHSA-N 1 0 196.254 0.589 50 0 in-vitro ACAARO CCc1nnc([C@H]2C[NH2+]CCO2)[nH]1 43705451 343259545 /nfs/dbraw/zinc/25/95/45/343259545.db2.gz RUOBZLJWEMZMRP-ZCFIWIBFSA-N 1 0 182.227 0.028 50 0 in-vitro ACAARO C[C@H](O)CC[NH+]1CCCC1 44115357 343260466 /nfs/dbraw/zinc/26/04/66/343260466.db2.gz SHIIWUKLJUSVHG-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 ACAARO C[C@H](O)CC[NH+](C)C 44122588 343260887 /nfs/dbraw/zinc/26/08/87/343260887.db2.gz IXAXPXLEJPTDGO-LURJTMIESA-N 1 0 117.192 0.319 50 0 in-vitro ACAARO C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC=O 44126233 343260914 /nfs/dbraw/zinc/26/09/14/343260914.db2.gz PUQQLNKMOHUADV-AOOOYVTPSA-N 1 0 184.283 0.995 50 0 ACAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC=O 44126236 343261025 /nfs/dbraw/zinc/26/10/25/343261025.db2.gz PUQQLNKMOHUADV-UWVGGRQHSA-N 1 0 184.283 0.995 50 0 ACAARO CCCC[C@H]([NH3+])CCO 44232464 343262701 /nfs/dbraw/zinc/26/27/01/343262701.db2.gz UUJMTRBDHSMCOA-ZETCQYMHSA-N 1 0 131.219 0.886 50 0 ACAARO CC(C)[C@@H](O)C(C)(C)C[NH3+] 44248515 343262738 /nfs/dbraw/zinc/26/27/38/343262738.db2.gz REXDANOMVZHVEG-SSDOTTSWSA-N 1 0 145.246 0.988 50 0 in-vitro ACAARO CC(C)OC(=O)N[C@@H]1CCC[NH2+]C1 44239813 343262797 /nfs/dbraw/zinc/26/27/97/343262797.db2.gz MBECHBYCMVYJDQ-MRVPVSSYSA-N 1 0 186.255 0.873 50 0 ACAARO CC(C)[C@H](O)C(C)(C)C[NH3+] 44248513 343262817 /nfs/dbraw/zinc/26/28/17/343262817.db2.gz REXDANOMVZHVEG-ZETCQYMHSA-N 1 0 145.246 0.988 50 0 in-vitro ACAARO C[C@H]1C[NH2+][C@@H]1C 44257583 343263079 /nfs/dbraw/zinc/26/30/79/343263079.db2.gz BMVHDBKYVGUEIX-CRCLSJGQSA-N 1 0 85.150 0.614 50 0 ACAARO CCCCNC(=O)C[NH2+]CC 44288809 343263245 /nfs/dbraw/zinc/26/32/45/343263245.db2.gz CJMHQOWLQPPKBG-UHFFFAOYSA-N 1 0 158.245 0.512 50 0 ACAARO Cc1cnccc1CC[NH3+] 44397054 343264787 /nfs/dbraw/zinc/26/47/87/343264787.db2.gz IXHBXKYOKXXAGF-UHFFFAOYSA-N 1 0 136.198 0.891 50 0 in-vitro ACAARO C[NH2+]C1CCC1 44479809 343266351 /nfs/dbraw/zinc/26/63/51/343266351.db2.gz JSIGUUUNVYUWQT-UHFFFAOYSA-N 1 0 85.150 0.758 50 0 in-vitro ACAARO CC1C[NH2+]C1 44559990 343267656 /nfs/dbraw/zinc/26/76/56/343267656.db2.gz HTHMVKNHGOVITA-UHFFFAOYSA-N 1 0 71.123 0.226 50 0 in-vitro ACAARO CN(C)C(=O)c1ccc(CC[NH3+])cc1 44547556 343267728 /nfs/dbraw/zinc/26/77/28/343267728.db2.gz WYFJCBPXSNDWLD-UHFFFAOYSA-N 1 0 192.262 0.890 50 0 in-vitro ACAARO Cc1ccc(C[NH3+])nn1 44682204 343268011 /nfs/dbraw/zinc/26/80/11/343268011.db2.gz VEVZZZIAWSOTML-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO Cc1n[nH]c(C)c1NC(=O)[C@@H](C)C[NH3+] 44801631 343269219 /nfs/dbraw/zinc/26/92/19/343269219.db2.gz RMSZKQRQTBREEZ-YFKPBYRVSA-N 1 0 196.254 0.560 50 0 in-vitro ACAARO Cc1n[nH]c(C)c1NC(=O)[C@H](C)C[NH3+] 44801633 343269248 /nfs/dbraw/zinc/26/92/48/343269248.db2.gz RMSZKQRQTBREEZ-RXMQYKEDSA-N 1 0 196.254 0.560 50 0 in-vitro ACAARO CC1(NC(=O)C[NH3+])CCCCC1 45046897 343270531 /nfs/dbraw/zinc/27/05/31/343270531.db2.gz XVTVRSRZFVUZGG-UHFFFAOYSA-N 1 0 170.256 0.784 50 0 in-vitro ACAARO Cc1ncc(C[NH3+])n1C 45206338 343271561 /nfs/dbraw/zinc/27/15/61/343271561.db2.gz YGAHXOAPDMHPMD-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 in-vitro ACAARO C[NH+](C)CCC[C@@](C)([NH3+])C(=O)[O-] 45379962 343271848 /nfs/dbraw/zinc/27/18/48/343271848.db2.gz BQADPYAWODDMFE-MRVPVSSYSA-N 1 0 174.244 0.130 50 0 ACAARO Cc1cc(C[C@H](C)[NH3+])on1 45328649 343271872 /nfs/dbraw/zinc/27/18/72/343271872.db2.gz JBKSNFMGMNTTLU-YFKPBYRVSA-N 1 0 140.186 0.873 50 0 in-vitro ACAARO C[C@H](O)CCC[NH+](C)C 45619206 343271959 /nfs/dbraw/zinc/27/19/59/343271959.db2.gz RMZCZIIPRKFFPZ-ZETCQYMHSA-N 1 0 131.219 0.709 50 0 in-vitro ACAARO C[NH+](C)CCC[C@](C)([NH3+])C(=O)[O-] 45379964 343272143 /nfs/dbraw/zinc/27/21/43/343272143.db2.gz BQADPYAWODDMFE-QMMMGPOBSA-N 1 0 174.244 0.130 50 0 ACAARO Cc1noc(C)c1CN1CC[C@H]([NH3+])C1 45949189 343272739 /nfs/dbraw/zinc/27/27/39/343272739.db2.gz VRHGPWSWZMVZQO-VIFPVBQESA-N 1 0 195.266 0.824 50 0 ACAARO Cc1cc(N2CC[C@@H]([NH3+])C2)ncn1 45954429 343272769 /nfs/dbraw/zinc/27/27/69/343272769.db2.gz XMQPLDRLZRIYLU-MRVPVSSYSA-N 1 0 178.239 0.322 50 0 ACAARO Cc1noc(C)c1CN1CC[C@@H]([NH3+])C1 45949192 343272861 /nfs/dbraw/zinc/27/28/61/343272861.db2.gz VRHGPWSWZMVZQO-SECBINFHSA-N 1 0 195.266 0.824 50 0 ACAARO Cc1cc(N2CC[C@H]([NH3+])C2)ncn1 45954426 343272908 /nfs/dbraw/zinc/27/29/08/343272908.db2.gz XMQPLDRLZRIYLU-QMMMGPOBSA-N 1 0 178.239 0.322 50 0 ACAARO Cc1n[nH]c(C2CC[NH2+]CC2)n1 47843899 343273099 /nfs/dbraw/zinc/27/30/99/343273099.db2.gz DVYSYRXOUIBQJG-UHFFFAOYSA-N 1 0 166.228 0.580 50 0 in-vitro ACAARO C[N@@H+]1C[C@@H]2C[C@H](C1)C2=O 47845149 343273103 /nfs/dbraw/zinc/27/31/03/343273103.db2.gz SAWKZFSKZRHOJA-OLQVQODUSA-N 1 0 125.171 0.137 50 0 in-vitro ACAARO CC[C@]1(C)C[NH2+]CCO1 47845179 343273241 /nfs/dbraw/zinc/27/32/41/343273241.db2.gz DMUXSRMSHNYAGZ-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])[C@@H](N)C(F)(F)F 47845201 343273253 /nfs/dbraw/zinc/27/32/53/343273253.db2.gz MLZFTSAIBWLDIQ-RFZPGFLSSA-N 1 0 170.178 0.859 50 0 ACAARO C[C@H](C1CC1)[N@H+](C)CC(=O)NC1CC1 48341302 343274117 /nfs/dbraw/zinc/27/41/17/343274117.db2.gz GJCSFSGDBXWOAT-MRVPVSSYSA-N 1 0 196.294 0.995 50 0 ACAARO Cc1nnc([C@@H]([NH3+])C(C)C)[nH]1 48630518 343274954 /nfs/dbraw/zinc/27/49/54/343274954.db2.gz DAMUUYPNNBQPAR-LURJTMIESA-N 1 0 154.217 0.769 50 0 in-vitro ACAARO CC[C@@H]([NH3+])c1nnc(C)[nH]1 48630572 343274959 /nfs/dbraw/zinc/27/49/59/343274959.db2.gz KWCLNZQGWCJRBO-RXMQYKEDSA-N 1 0 140.190 0.523 50 0 in-vitro ACAARO Cc1nnc([C@H]2CCCC[NH2+]2)[nH]1 48630555 343274978 /nfs/dbraw/zinc/27/49/78/343274978.db2.gz UBKCTLGZRHZIND-SSDOTTSWSA-N 1 0 166.228 0.928 50 0 in-vitro ACAARO CCc1nnc([C@@H](C)[NH3+])[nH]1 48630929 343274988 /nfs/dbraw/zinc/27/49/88/343274988.db2.gz JYXQLWGUUVLZPQ-SCSAIBSYSA-N 1 0 140.190 0.387 50 0 in-vitro ACAARO CCc1nccn1C[C@H](C)[NH3+] 48821687 343275002 /nfs/dbraw/zinc/27/50/02/343275002.db2.gz UGGOWINFSCPFEX-ZETCQYMHSA-N 1 0 153.229 0.793 50 0 ACAARO CCc1nccn1C[C@@H](C)[NH3+] 48821684 343275018 /nfs/dbraw/zinc/27/50/18/343275018.db2.gz UGGOWINFSCPFEX-SSDOTTSWSA-N 1 0 153.229 0.793 50 0 ACAARO Cc1n[nH]c([C@@H]2CCC[NH2+]C2)n1 48630540 343275025 /nfs/dbraw/zinc/27/50/25/343275025.db2.gz LQRBMNJCBSBPDJ-SSDOTTSWSA-N 1 0 166.228 0.580 50 0 ACAARO Cc1n[nH]c([C@H]2CCC[NH2+]C2)n1 48630541 343275051 /nfs/dbraw/zinc/27/50/51/343275051.db2.gz LQRBMNJCBSBPDJ-ZETCQYMHSA-N 1 0 166.228 0.580 50 0 ACAARO CC(C)OCC[NH+]1CCC(O)CC1 48695170 343275063 /nfs/dbraw/zinc/27/50/63/343275063.db2.gz ZXOJWVUCNGXOLV-UHFFFAOYSA-N 1 0 187.283 0.868 50 0 in-vitro ACAARO Cc1nnc([C@H]([NH3+])C(C)C)[nH]1 48630517 343275094 /nfs/dbraw/zinc/27/50/94/343275094.db2.gz DAMUUYPNNBQPAR-ZCFIWIBFSA-N 1 0 154.217 0.769 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1nnc(C)[nH]1 48630571 343275143 /nfs/dbraw/zinc/27/51/43/343275143.db2.gz KWCLNZQGWCJRBO-YFKPBYRVSA-N 1 0 140.190 0.523 50 0 in-vitro ACAARO Cc1nnc([C@H]2CCC[NH2+]2)[nH]1 48630553 343275154 /nfs/dbraw/zinc/27/51/54/343275154.db2.gz NYWMQSMKGVCQED-ZCFIWIBFSA-N 1 0 152.201 0.538 50 0 in-vitro ACAARO CCc1n[nH]c(C2CC[NH2+]CC2)n1 48630894 343275175 /nfs/dbraw/zinc/27/51/75/343275175.db2.gz UQXGXVADESAMLD-UHFFFAOYSA-N 1 0 180.255 0.834 50 0 in-vitro ACAARO CCc1nnc([C@H](C)[NH3+])[nH]1 48630930 343275217 /nfs/dbraw/zinc/27/52/17/343275217.db2.gz JYXQLWGUUVLZPQ-BYPYZUCNSA-N 1 0 140.190 0.387 50 0 in-vitro ACAARO Cc1nnc([C@@H]2CCCC[NH2+]2)[nH]1 48630554 343275249 /nfs/dbraw/zinc/27/52/49/343275249.db2.gz UBKCTLGZRHZIND-ZETCQYMHSA-N 1 0 166.228 0.928 50 0 in-vitro ACAARO CC(C)c1noc(C2C[NH2+]C2)n1 48981042 343275258 /nfs/dbraw/zinc/27/52/58/343275258.db2.gz JJEXCGWIHZRDOQ-UHFFFAOYSA-N 1 0 167.212 0.880 50 0 ACAARO Cc1nnc([C@@H]2CCC[NH2+]2)[nH]1 48630552 343275272 /nfs/dbraw/zinc/27/52/72/343275272.db2.gz NYWMQSMKGVCQED-LURJTMIESA-N 1 0 152.201 0.538 50 0 in-vitro ACAARO CCc1nc(CN2CC[NH2+]CC2)no1 49334516 343275607 /nfs/dbraw/zinc/27/56/07/343275607.db2.gz AAMZEAMUYMIDRP-UHFFFAOYSA-N 1 0 196.254 0.037 50 0 in-vitro ACAARO Cc1ncc(CN2CC[NH2+]CC2)s1 49533897 343275623 /nfs/dbraw/zinc/27/56/23/343275623.db2.gz JBVOQOLBRWVANK-UHFFFAOYSA-N 1 0 197.307 0.857 50 0 in-vitro ACAARO Cc1ncc(CN2CC[C@@H]([NH3+])C2)s1 49533887 343275646 /nfs/dbraw/zinc/27/56/46/343275646.db2.gz WZXLIAXUSXEUBC-MRVPVSSYSA-N 1 0 197.307 0.985 50 0 ACAARO CN1CCN(C2CC[NH2+]CC2)C1=O 49454941 343275728 /nfs/dbraw/zinc/27/57/28/343275728.db2.gz DWFGEKHJKFNGNW-UHFFFAOYSA-N 1 0 183.255 0.106 50 0 in-vitro ACAARO CC[C@@]1(CO)CCC[NH2+]1 49584996 343276004 /nfs/dbraw/zinc/27/60/04/343276004.db2.gz MUDJTIDXZWKQJP-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO CN(C)[C@]1(C)CC[NH2+]C1 49587180 343276092 /nfs/dbraw/zinc/27/60/92/343276092.db2.gz BHGAPHJDUGWGCK-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 ACAARO CN(C)[C@@]1(C)CC[NH2+]C1 49587179 343276151 /nfs/dbraw/zinc/27/61/51/343276151.db2.gz BHGAPHJDUGWGCK-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 ACAARO C[NH+](C)CC1(CO)CC1 49804414 343276553 /nfs/dbraw/zinc/27/65/53/343276553.db2.gz OCYZABOUZSORIT-UHFFFAOYSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO C[C@H]1CCn2cc(CC[NH3+])nc2C1 49805595 343276870 /nfs/dbraw/zinc/27/68/70/343276870.db2.gz OBKLDPKQEUWZBV-QMMMGPOBSA-N 1 0 179.267 0.967 50 0 ACAARO CC(C)[N@@H+]1CCC[C@H]1CO 50114110 343278096 /nfs/dbraw/zinc/27/80/96/343278096.db2.gz XJCUYISZYNEDKN-QMMMGPOBSA-N 1 0 143.230 0.852 50 0 ACAARO CCc1c[nH]c(C[NH3+])n1 50182073 343279512 /nfs/dbraw/zinc/27/95/12/343279512.db2.gz LDDGBHZRCXCJMR-UHFFFAOYSA-N 1 0 125.175 0.431 50 0 ACAARO CC(C)n1cc(C[NH3+])nn1 50224556 343279762 /nfs/dbraw/zinc/27/97/62/343279762.db2.gz MLGQMJALMNGPSR-UHFFFAOYSA-N 1 0 140.190 0.318 50 0 in-vitro ACAARO CCCC(=O)N1CC[C@H]([NH3+])C1 50228718 343279951 /nfs/dbraw/zinc/27/99/51/343279951.db2.gz LMHKSTWNVUBTEQ-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO CCC(CC)C(=O)N1CC[C@H]([NH3+])C1 50228824 343280079 /nfs/dbraw/zinc/28/00/79/343280079.db2.gz FGKADXLAPPPIMR-VIFPVBQESA-N 1 0 184.283 0.982 50 0 ACAARO CN1CCc2cc([C@@H](O)C[NH3+])ccc21 50285921 343281027 /nfs/dbraw/zinc/28/10/27/343281027.db2.gz SMKJAXTUURKFPM-NSHDSACASA-N 1 0 192.262 0.671 50 0 ACAARO Cc1ccc(O)c(N)[nH+]1 50441038 343283279 /nfs/dbraw/zinc/28/32/79/343283279.db2.gz WJRVHFJZHFWCMS-UHFFFAOYSA-N 1 0 124.143 0.678 50 0 in-vitro ACAARO C[NH+](C)Cc1ccc(N)nc1 50792919 343285892 /nfs/dbraw/zinc/28/58/92/343285892.db2.gz SDVRXHFNSQTUGR-UHFFFAOYSA-N 1 0 151.213 0.725 50 0 in-vitro ACAARO Cc1cc(N)nc(N2CCCC2)[nH+]1 50845178 343286331 /nfs/dbraw/zinc/28/63/31/343286331.db2.gz DMTHAPGLGQMHGT-UHFFFAOYSA-N 1 0 178.239 0.967 50 0 in-vitro ACAARO CNC(=O)CC[C@H]1CCCC[NH2+]1 50931262 343287133 /nfs/dbraw/zinc/28/71/33/343287133.db2.gz WIFUHGQDGIJRFP-MRVPVSSYSA-N 1 0 170.256 0.655 50 0 in-vitro ACAARO C[C@H]([NH3+])C(=O)N1Cc2ccccc2C1 50912408 343287207 /nfs/dbraw/zinc/28/72/07/343287207.db2.gz ROGSNODZJLQUKG-QMMMGPOBSA-N 1 0 190.246 0.876 50 0 in-vitro ACAARO C[NH2+]CC(C)(C)CN1CCOCC1 51208297 343289525 /nfs/dbraw/zinc/28/95/25/343289525.db2.gz GNNLMCQBKWFAAL-UHFFFAOYSA-N 1 0 186.299 0.564 50 0 in-vitro ACAARO CN(C)c1cccc(C[NH3+])n1 51396487 343290007 /nfs/dbraw/zinc/29/00/07/343290007.db2.gz WSDSLOJOKKCEHE-UHFFFAOYSA-N 1 0 151.213 0.606 50 0 in-vitro ACAARO CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360046 343290209 /nfs/dbraw/zinc/29/02/09/343290209.db2.gz OWKCKFLYGJEUPI-DTWKUNHWSA-N 1 0 154.257 0.833 50 0 ACAARO CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 51360047 343290257 /nfs/dbraw/zinc/29/02/57/343290257.db2.gz OWKCKFLYGJEUPI-IUCAKERBSA-N 1 0 154.257 0.833 50 0 ACAARO CC(C)[C@@H]1C[C@H]1[NH3+] 51690493 343291599 /nfs/dbraw/zinc/29/15/99/343291599.db2.gz PAKOTDFUHRYXRU-NTSWFWBYSA-N 1 0 99.177 0.990 50 0 ACAARO Cc1nc(C)n([C@@H]2CC[NH2+]C2)n1 51783740 343293426 /nfs/dbraw/zinc/29/34/26/343293426.db2.gz CJEYOZIHKHZSIM-MRVPVSSYSA-N 1 0 166.228 0.429 50 0 ACAARO Cc1cnn([C@@H]2CC[NH2+]C2)c1 51783708 343293475 /nfs/dbraw/zinc/29/34/75/343293475.db2.gz NXDPGCYRUPUNMK-MRVPVSSYSA-N 1 0 151.213 0.726 50 0 in-vitro ACAARO Cc1nc(C)n([C@H]2CC[NH2+]C2)n1 51783742 343293519 /nfs/dbraw/zinc/29/35/19/343293519.db2.gz CJEYOZIHKHZSIM-QMMMGPOBSA-N 1 0 166.228 0.429 50 0 ACAARO Cc1cnn([C@H]2CC[NH2+]C2)c1 51783710 343293752 /nfs/dbraw/zinc/29/37/52/343293752.db2.gz NXDPGCYRUPUNMK-QMMMGPOBSA-N 1 0 151.213 0.726 50 0 in-vitro ACAARO Cc1ncn(CC[NH3+])c1C 51925717 343296055 /nfs/dbraw/zinc/29/60/55/343296055.db2.gz BSBQVAZPNNEYRF-UHFFFAOYSA-N 1 0 139.202 0.459 50 0 ACAARO C[C@H]1C[NH2+][C@H](C)CN1C 51971096 343297140 /nfs/dbraw/zinc/29/71/40/343297140.db2.gz CDHYSFKPWCVXHZ-RQJHMYQMSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO CC[C@@](C)(C[NH3+])OC 51958267 343297238 /nfs/dbraw/zinc/29/72/38/343297238.db2.gz WEHCJNHXUFEVNZ-LURJTMIESA-N 1 0 117.192 0.760 50 0 in-vitro ACAARO CNC(=[NH2+])N1CCC(C)CC1 52018415 343297585 /nfs/dbraw/zinc/29/75/85/343297585.db2.gz IFCQVURDBRLCIS-UHFFFAOYSA-N 1 0 155.245 0.872 50 0 ACAARO CCCCCNC(N)=[NH2+] 52019439 343297769 /nfs/dbraw/zinc/29/77/69/343297769.db2.gz AIDRMPVULZWTPA-UHFFFAOYSA-N 1 0 129.207 0.660 50 0 ACAARO CNC(=[NH2+])NCCC(C)C 52019455 343297916 /nfs/dbraw/zinc/29/79/16/343297916.db2.gz SQLSMDYMSMKKOS-UHFFFAOYSA-N 1 0 143.234 0.776 50 0 ACAARO Cc1cc(N[C@@H]2CC[NH2+]C2)ncn1 52093988 343299954 /nfs/dbraw/zinc/29/99/54/343299954.db2.gz IDWJCGJOLMZMSS-MRVPVSSYSA-N 1 0 178.239 0.559 50 0 ACAARO Cc1cc(N[C@H]2CC[NH2+]C2)ncn1 52093989 343299973 /nfs/dbraw/zinc/29/99/73/343299973.db2.gz IDWJCGJOLMZMSS-QMMMGPOBSA-N 1 0 178.239 0.559 50 0 ACAARO NC(=[NH2+])NC1CCC1 52212179 343302329 /nfs/dbraw/zinc/30/23/29/343302329.db2.gz BCKIKHQDFOWMJF-UHFFFAOYSA-N 1 0 113.164 0.022 50 0 ACAARO CCn1cnnc1[C@H]1CCC[NH2+]C1 52345253 343305972 /nfs/dbraw/zinc/30/59/72/343305972.db2.gz ZNSVPQLNYYMMGF-QMMMGPOBSA-N 1 0 180.255 0.765 50 0 in-vitro ACAARO CCC(CC)(C[NH3+])S(C)(=O)=O 52788910 343306867 /nfs/dbraw/zinc/30/68/67/343306867.db2.gz MRVFJNVEYZQCKW-UHFFFAOYSA-N 1 0 179.285 0.549 50 0 in-vitro ACAARO Cc1cc(CN2CC[NH2+]CC2)[nH]n1 52860987 343311220 /nfs/dbraw/zinc/31/12/20/343311220.db2.gz SRKYKYNKQFNFHM-UHFFFAOYSA-N 1 0 180.255 0.123 50 0 ACAARO CNC(=O)[C@H]([NH3+])Cc1ccccc1 52961953 343311869 /nfs/dbraw/zinc/31/18/69/343311869.db2.gz BVRKOQJETMBIDK-SECBINFHSA-N 1 0 178.235 0.302 50 0 in-vitro ACAARO CNC(=O)[C@@H]([NH3+])Cc1ccccc1 52961954 343312183 /nfs/dbraw/zinc/31/21/83/343312183.db2.gz BVRKOQJETMBIDK-VIFPVBQESA-N 1 0 178.235 0.302 50 0 in-vitro ACAARO Cc1ccc(CNC(N)=[NH2+])o1 53040211 343312310 /nfs/dbraw/zinc/31/23/10/343312310.db2.gz WGWLNNVXFYNOQZ-UHFFFAOYSA-N 1 0 153.185 0.571 50 0 ACAARO CC[C@](C)([NH3+])COC 53173457 343313196 /nfs/dbraw/zinc/31/31/96/343313196.db2.gz XXELXLVUXCNLEJ-LURJTMIESA-N 1 0 117.192 0.760 50 0 ACAARO C[NH2+]CC[C@H]1CCOC1 53301981 343314125 /nfs/dbraw/zinc/31/41/25/343314125.db2.gz LZTGGIUVKFDDMN-ZETCQYMHSA-N 1 0 129.203 0.632 50 0 ACAARO CN(C)C(=O)c1cccc(CC[NH3+])c1 53661772 343315180 /nfs/dbraw/zinc/31/51/80/343315180.db2.gz USSCVDBASHMYBP-UHFFFAOYSA-N 1 0 192.262 0.890 50 0 in-vitro ACAARO CNC(=O)c1cccc(CC[NH3+])c1 53661531 343315274 /nfs/dbraw/zinc/31/52/74/343315274.db2.gz YSSJGRJXMHDVSR-UHFFFAOYSA-N 1 0 178.235 0.547 50 0 in-vitro ACAARO CCC(CC)(C[NH3+])C(=O)OC 53737987 343315479 /nfs/dbraw/zinc/31/54/79/343315479.db2.gz RXGSWSNTQIPMFS-UHFFFAOYSA-N 1 0 159.229 0.925 50 0 in-vitro ACAARO C[C@H](C[NH3+])c1ncon1 54158942 343318982 /nfs/dbraw/zinc/31/89/82/343318982.db2.gz XZGLAEUHRHZJNH-SCSAIBSYSA-N 1 0 127.147 0.132 50 0 ACAARO Cc1c[nH]c(=O)c(C[NH3+])c1 54159002 343319000 /nfs/dbraw/zinc/31/90/00/343319000.db2.gz KHFUKIQTEKCDAF-UHFFFAOYSA-N 1 0 138.170 0.142 50 0 in-vitro ACAARO CC(C)OC(=O)[C@H](C)C[NH3+] 54335294 343321356 /nfs/dbraw/zinc/32/13/56/343321356.db2.gz WMNMBLUPPHBHTD-ZCFIWIBFSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCN1CC(C)(C)O 54374503 343321959 /nfs/dbraw/zinc/32/19/59/343321959.db2.gz MIAMZJKMKXIIKX-QMMMGPOBSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCN1CC(F)(F)F 54374149 343322326 /nfs/dbraw/zinc/32/23/26/343322326.db2.gz AXHYUDJJXOMEOH-LURJTMIESA-N 1 0 182.189 0.842 50 0 in-vitro ACAARO CCC1([NH3+])CC1 54404914 343323648 /nfs/dbraw/zinc/32/36/48/343323648.db2.gz RTHXBEOKSSCNNT-UHFFFAOYSA-N 1 0 85.150 0.888 50 0 in-vitro ACAARO CC(C)n1cnnc1C[NH3+] 54498219 343325318 /nfs/dbraw/zinc/32/53/18/343325318.db2.gz OWZRZTYYKXCIAI-UHFFFAOYSA-N 1 0 140.190 0.318 50 0 in-vitro ACAARO CC[C@@H]1C[C@H]1C[NH3+] 54588221 343326607 /nfs/dbraw/zinc/32/66/07/343326607.db2.gz PLCCCMJDLVVFPX-RITPCOANSA-N 1 0 99.177 0.991 50 0 ACAARO CC[C@H]1C[C@H]1C[NH3+] 54588223 343326708 /nfs/dbraw/zinc/32/67/08/343326708.db2.gz PLCCCMJDLVVFPX-WDSKDSINSA-N 1 0 99.177 0.991 50 0 ACAARO CC[C@@H]1C[C@@H]1C[NH3+] 54588217 343326716 /nfs/dbraw/zinc/32/67/16/343326716.db2.gz PLCCCMJDLVVFPX-PHDIDXHHSA-N 1 0 99.177 0.991 50 0 ACAARO C[C@H]([NH3+])c1cn[nH]c1 54741683 343328166 /nfs/dbraw/zinc/32/81/66/343328166.db2.gz RPDQDVLOUJVEEX-BYPYZUCNSA-N 1 0 111.148 0.429 50 0 in-vitro ACAARO CCn1ccnc1CN1CC[NH2+]CC1 54743404 343328526 /nfs/dbraw/zinc/32/85/26/343328526.db2.gz POOUPOSIFGYLPV-UHFFFAOYSA-N 1 0 194.282 0.308 50 0 in-vitro ACAARO Cc1nc[nH]c1C[NH3+] 54793415 343329221 /nfs/dbraw/zinc/32/92/21/343329221.db2.gz XPOZILPQFAIBOC-UHFFFAOYSA-N 1 0 111.148 0.177 50 0 in-vitro ACAARO Cc1nc[nH]c1C[NH2+]C1CCOCC1 54794650 343329319 /nfs/dbraw/zinc/32/93/19/343329319.db2.gz VZWFHBMSEPBWGO-UHFFFAOYSA-N 1 0 195.266 0.987 50 0 ACAARO C[C@H]1CN(C2C[NH2+]C2)C[C@@H](C)O1 54931377 343331185 /nfs/dbraw/zinc/33/11/85/343331185.db2.gz VZBSAVYBLCLTAS-OCAPTIKFSA-N 1 0 170.256 0.067 50 0 in-vitro ACAARO CN(C1CC1)C1C[NH2+]C1 54931402 343331283 /nfs/dbraw/zinc/33/12/83/343331283.db2.gz WJANTGUGZRKBQC-UHFFFAOYSA-N 1 0 126.203 0.052 50 0 ACAARO C[C@H]1CN(C2C[NH2+]C2)C[C@H](C)O1 54931378 343331285 /nfs/dbraw/zinc/33/12/85/343331285.db2.gz VZBSAVYBLCLTAS-YUMQZZPRSA-N 1 0 170.256 0.067 50 0 in-vitro ACAARO Clc1cnn(C2C[NH2+]C2)c1 54931656 343331521 /nfs/dbraw/zinc/33/15/21/343331521.db2.gz HMDASAKGPDQUSG-UHFFFAOYSA-N 1 0 157.604 0.681 50 0 ACAARO Cc1nnc(SC2C[NH2+]C2)s1 54931805 343331553 /nfs/dbraw/zinc/33/15/53/343331553.db2.gz VSYXQAQUFLZINT-UHFFFAOYSA-N 1 0 187.293 0.910 50 0 ACAARO Cc1cnn(C2C[NH2+]C2)c1 54931655 343331573 /nfs/dbraw/zinc/33/15/73/343331573.db2.gz RGIFLZCGQQMQDX-UHFFFAOYSA-N 1 0 137.186 0.336 50 0 in-vitro ACAARO CC1(C)CN(C2C[NH2+]C2)CCO1 54931442 343331579 /nfs/dbraw/zinc/33/15/79/343331579.db2.gz DIGSBBPPVGGUID-UHFFFAOYSA-N 1 0 170.256 0.069 50 0 ACAARO Cc1nccc(NC2CC[NH2+]CC2)n1 54936751 343332137 /nfs/dbraw/zinc/33/21/37/343332137.db2.gz XLVDWXHWXVUDFN-UHFFFAOYSA-N 1 0 192.266 0.949 50 0 ACAARO CNC(=O)CCC(C)(C)[NH3+] 54957016 343332263 /nfs/dbraw/zinc/33/22/63/343332263.db2.gz AUVCJBULBBYBHJ-UHFFFAOYSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 54956893 343332311 /nfs/dbraw/zinc/33/23/11/343332311.db2.gz NLRPLOMLCUJBET-SFYZADRCSA-N 1 0 140.230 0.443 50 0 ACAARO CC[C@](C)([NH3+])C(=O)OC 54967484 343332560 /nfs/dbraw/zinc/33/25/60/343332560.db2.gz LYSVZYUJIMIKEB-LURJTMIESA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO CC[C@H](C)[C@H]([NH3+])C(=O)OC 54969026 343332577 /nfs/dbraw/zinc/33/25/77/343332577.db2.gz YXMMTUJDQTVJEN-WDSKDSINSA-N 1 0 145.202 0.533 50 0 biogenic,in-vitro ACAARO CC[C@@](C)([NH3+])C(=O)OC 54967485 343332763 /nfs/dbraw/zinc/33/27/63/343332763.db2.gz LYSVZYUJIMIKEB-ZCFIWIBFSA-N 1 0 131.175 0.287 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])c1ccccc1F 55032585 343333270 /nfs/dbraw/zinc/33/32/70/343333270.db2.gz CIMQZVBLCOCGBW-VIFPVBQESA-N 1 0 169.199 0.992 50 0 ACAARO C[C@](O)(C[NH3+])c1cccc(F)c1 55032588 343333280 /nfs/dbraw/zinc/33/32/80/343333280.db2.gz HAIKRIJRRRGFJN-VIFPVBQESA-N 1 0 169.199 0.992 50 0 ACAARO CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 55086523 343333614 /nfs/dbraw/zinc/33/36/14/343333614.db2.gz QCXYZVDUCFHTTO-SFYZADRCSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CNC(=O)[C@H]1CCCC[C@H]1[NH3+] 55085991 343333623 /nfs/dbraw/zinc/33/36/23/343333623.db2.gz CNTLKDRKZHDGJD-NKWVEPMBSA-N 1 0 156.229 0.250 50 0 in-vitro ACAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] 55085989 343333629 /nfs/dbraw/zinc/33/36/29/343333629.db2.gz CNTLKDRKZHDGJD-RNFRBKRXSA-N 1 0 156.229 0.250 50 0 in-vitro ACAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 55085985 343333662 /nfs/dbraw/zinc/33/36/62/343333662.db2.gz CNTLKDRKZHDGJD-RQJHMYQMSA-N 1 0 156.229 0.250 50 0 in-vitro ACAARO CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 55086525 343333749 /nfs/dbraw/zinc/33/37/49/343333749.db2.gz QCXYZVDUCFHTTO-YUMQZZPRSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC1(C)[NH2+]CCN2C(=O)CS[C@@H]21 55152991 343334076 /nfs/dbraw/zinc/33/40/76/343334076.db2.gz SZKGBSCQYWWPMO-SSDOTTSWSA-N 1 0 186.280 0.270 50 0 ACAARO CCCC1(O)CC[NH2+]CC1 55189679 343334683 /nfs/dbraw/zinc/33/46/83/343334683.db2.gz TYPXCWYPFFEOGJ-UHFFFAOYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO CC(C)c1nnc2n1C[C@@H]([NH3+])CC2 57217677 343336010 /nfs/dbraw/zinc/33/60/10/343336010.db2.gz PCSRDHSXZCQZJE-ZETCQYMHSA-N 1 0 180.255 0.675 50 0 in-vitro ACAARO CC(C)[C@@H]1CN(C)CC[NH2+]1 56894924 343336138 /nfs/dbraw/zinc/33/61/38/343336138.db2.gz AWEMTXATTGFXPG-QMMMGPOBSA-N 1 0 142.246 0.546 50 0 in-vitro ACAARO Cc1nc(C[C@@H]2CCC[NH2+]2)no1 57217686 343336360 /nfs/dbraw/zinc/33/63/60/343336360.db2.gz GBSKIOYBLROWRH-ZETCQYMHSA-N 1 0 167.212 0.673 50 0 ACAARO CCc1nnc2n1C[C@H]([NH3+])CC2 57217673 343336235 /nfs/dbraw/zinc/33/62/35/343336235.db2.gz LDICHKCDDISACA-ZCFIWIBFSA-N 1 0 166.228 0.114 50 0 in-vitro ACAARO CC(C)c1nnc2n1C[C@H]([NH3+])CC2 57217676 343336272 /nfs/dbraw/zinc/33/62/72/343336272.db2.gz PCSRDHSXZCQZJE-SSDOTTSWSA-N 1 0 180.255 0.675 50 0 in-vitro ACAARO CCO/C=C\[C@](O)(C[NH3+])C(F)(F)F 56659263 343336363 /nfs/dbraw/zinc/33/63/63/343336363.db2.gz UMACIHMNGIOELS-SYDCGGLASA-N 1 0 199.172 0.789 50 0 ACAARO CCc1nnc2n1C[C@@H]([NH3+])CC2 57217674 343336412 /nfs/dbraw/zinc/33/64/12/343336412.db2.gz LDICHKCDDISACA-LURJTMIESA-N 1 0 166.228 0.114 50 0 in-vitro ACAARO CC(C)N1C(=S)N=NC1CC[NH3+] 57218729 343336661 /nfs/dbraw/zinc/33/66/61/343336661.db2.gz JPLNUYRFYZUESA-UHFFFAOYSA-N 1 0 186.284 0.649 50 0 in-vitro ACAARO CCN1C(=S)N=NC1CC[NH3+] 57218730 343336712 /nfs/dbraw/zinc/33/67/12/343336712.db2.gz CQUVQXLLYCMMQE-UHFFFAOYSA-N 1 0 172.257 0.088 50 0 in-vitro ACAARO CCN1C(=S)N=NC1C[NH3+] 57218662 343336725 /nfs/dbraw/zinc/33/67/25/343336725.db2.gz AKSBWFQQFJRODX-UHFFFAOYSA-N 1 0 158.230 0.045 50 0 in-vitro ACAARO Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 57218623 343336768 /nfs/dbraw/zinc/33/67/68/343336768.db2.gz UIVPKOOMHSYUNJ-QMMMGPOBSA-N 1 0 181.239 0.920 50 0 in-vitro ACAARO CC[C@@H]([NH3+])CN1C(=O)NC(C)(C)C1=O 57846419 343338020 /nfs/dbraw/zinc/33/80/20/343338020.db2.gz GKYGBHWSWLOHNY-ZCFIWIBFSA-N 1 0 199.254 0.054 50 0 in-vitro ACAARO C[C@H]1OCC[NH2+]C1(C)C 57935222 343338120 /nfs/dbraw/zinc/33/81/20/343338120.db2.gz OAHWEYXHLNJBRW-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 ACAARO CC(C)[C@@H]1C[NH2+]CCO1 57935226 343338144 /nfs/dbraw/zinc/33/81/44/343338144.db2.gz DNBOOEPFXFVICE-ZETCQYMHSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CC[C@H]([NH3+])CN1C(=O)NC(C)(C)C1=O 57846418 343338213 /nfs/dbraw/zinc/33/82/13/343338213.db2.gz GKYGBHWSWLOHNY-LURJTMIESA-N 1 0 199.254 0.054 50 0 in-vitro ACAARO CC(C)[C@H]1C[NH2+]CCO1 57935229 343338257 /nfs/dbraw/zinc/33/82/57/343338257.db2.gz DNBOOEPFXFVICE-SSDOTTSWSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO CC(C)[N@H+](C)CC(=O)N1CCCC1 58430720 343339549 /nfs/dbraw/zinc/33/95/49/343339549.db2.gz RRBFGYMWQZNHCL-UHFFFAOYSA-N 1 0 184.283 0.949 50 0 ACAARO CC(C)[N@H+](CC(=O)NC(N)=O)C1CC1 58343378 343339752 /nfs/dbraw/zinc/33/97/52/343339752.db2.gz VNFABKCBZMYSNU-UHFFFAOYSA-N 1 0 199.254 0.054 50 0 ACAARO CC(C)c1nnc(C[NH3+])n1C 58517687 343339898 /nfs/dbraw/zinc/33/98/98/343339898.db2.gz KAPGQKYHNMJLHR-UHFFFAOYSA-N 1 0 154.217 0.397 50 0 in-vitro ACAARO Cc1ncoc1C[NH3+] 58517469 343339975 /nfs/dbraw/zinc/33/99/75/343339975.db2.gz GKVKHZDHOHYHRG-UHFFFAOYSA-N 1 0 112.132 0.442 50 0 in-vitro ACAARO CCc1nc(C[NH3+])co1 58517484 343339987 /nfs/dbraw/zinc/33/99/87/343339987.db2.gz SHYNDGLQFBPFKG-UHFFFAOYSA-N 1 0 126.159 0.696 50 0 ACAARO C[C@H](NC(=O)OC(C)(C)C)C(N)=[NH2+] 58681112 343341139 /nfs/dbraw/zinc/34/11/39/343341139.db2.gz SBWMAYUOZBBXIS-YFKPBYRVSA-N 1 0 187.243 0.836 50 0 ACAARO CC1(C)C[NH2+]CC[S@]1=O 59197279 343343061 /nfs/dbraw/zinc/34/30/61/343343061.db2.gz BUXUIHPTHLOVAH-VIFPVBQESA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO CC1(C)C[NH2+]CC[S@@]1=O 59197278 343343145 /nfs/dbraw/zinc/34/31/45/343343145.db2.gz BUXUIHPTHLOVAH-SECBINFHSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO CC[C@@]1(C(=O)OC)CCC[NH2+]C1 59270604 343343721 /nfs/dbraw/zinc/34/37/21/343343721.db2.gz AQMVNIAPISYBIJ-SECBINFHSA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO CC[C@]1(C(=O)OC)CCC[NH2+]C1 59270603 343343830 /nfs/dbraw/zinc/34/38/30/343343830.db2.gz AQMVNIAPISYBIJ-VIFPVBQESA-N 1 0 171.240 0.939 50 0 in-vitro ACAARO C[C@H]1CC[C@@H]1[NH3+] 59379235 343344367 /nfs/dbraw/zinc/34/43/67/343344367.db2.gz YYMQZXMSPLVJJN-WHFBIAKZSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[C@H]1CC[C@H]1[NH3+] 59379240 343344417 /nfs/dbraw/zinc/34/44/17/343344417.db2.gz YYMQZXMSPLVJJN-CRCLSJGQSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO CCc1ncc(C[NH3+])c(N)n1 59558678 343345791 /nfs/dbraw/zinc/34/57/91/343345791.db2.gz PYPKAWOQNRFELL-UHFFFAOYSA-N 1 0 152.201 0.080 50 0 ACAARO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 59575181 343345837 /nfs/dbraw/zinc/34/58/37/343345837.db2.gz LGNJUPFFTXYXON-PRJMDXOYSA-N 1 0 168.240 0.392 50 0 in-vitro ACAARO C[C@H]1C[C@H]([NH3+])CCO1 59622642 343346436 /nfs/dbraw/zinc/34/64/36/343346436.db2.gz QPXXGRHIYAAMDU-NTSWFWBYSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@H]1C[C@@H]([NH3+])CCO1 59622646 343346471 /nfs/dbraw/zinc/34/64/71/343346471.db2.gz QPXXGRHIYAAMDU-WDSKDSINSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CC[C@@H]1C[C@H]([NH3+])CCO1 59622666 343346510 /nfs/dbraw/zinc/34/65/10/343346510.db2.gz UXZVPCXTWGZXHH-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO Nc1ccc([C@H]2C[NH2+]CCO2)cc1 59704803 343347044 /nfs/dbraw/zinc/34/70/44/343347044.db2.gz GXWFKPDLDBPQEW-SNVBAGLBSA-N 1 0 178.235 0.930 50 0 ACAARO Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 59704801 343347093 /nfs/dbraw/zinc/34/70/93/343347093.db2.gz GXWFKPDLDBPQEW-JTQLQIEISA-N 1 0 178.235 0.930 50 0 ACAARO CN1CC[C@@](C)([NH3+])C1 59756329 343347449 /nfs/dbraw/zinc/34/74/49/343347449.db2.gz CTCROLHSTQLQKI-ZCFIWIBFSA-N 1 0 114.192 0.039 50 0 ACAARO C[C@H]([NH3+])[C@H]1COC(C)(C)O1 59773832 343347595 /nfs/dbraw/zinc/34/75/95/343347595.db2.gz IGVMHZDCIZWZGY-NTSWFWBYSA-N 1 0 145.202 0.485 50 0 ACAARO CN1CC[C@](C)([NH3+])C1 59756328 343347663 /nfs/dbraw/zinc/34/76/63/343347663.db2.gz CTCROLHSTQLQKI-LURJTMIESA-N 1 0 114.192 0.039 50 0 ACAARO CCC([NH3+])(CC)CCO 59870309 343348336 /nfs/dbraw/zinc/34/83/36/343348336.db2.gz AIAKZXQNHAOOEM-UHFFFAOYSA-N 1 0 131.219 0.886 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(C)(C)O 59912000 343348528 /nfs/dbraw/zinc/34/85/28/343348528.db2.gz RJQQAAMUEHNMSQ-RXMQYKEDSA-N 1 0 117.192 0.495 50 0 ACAARO CC[C@H]([NH3+])C(C)(C)O 59911998 343348710 /nfs/dbraw/zinc/34/87/10/343348710.db2.gz RJQQAAMUEHNMSQ-YFKPBYRVSA-N 1 0 117.192 0.495 50 0 ACAARO CN(C)C(=O)NC1CC[NH2+]CC1 60042050 343350081 /nfs/dbraw/zinc/35/00/81/343350081.db2.gz CTSDPOVPQLYUOT-UHFFFAOYSA-N 1 0 171.244 0.010 50 0 ACAARO CCC[NH+]1CCC(C(N)=O)CC1 60046874 343350086 /nfs/dbraw/zinc/35/00/86/343350086.db2.gz DNBUALMNLLJERK-UHFFFAOYSA-N 1 0 170.256 0.594 50 0 ACAARO C[C@]12CCC[N@@H+]1CCNC2 60091240 343350556 /nfs/dbraw/zinc/35/05/56/343350556.db2.gz IPGPAUBAGCJNHI-MRVPVSSYSA-N 1 0 140.230 0.444 50 0 ACAARO C[C@@]12CCC[N@@H+]1CCNC2 60091238 343350600 /nfs/dbraw/zinc/35/06/00/343350600.db2.gz IPGPAUBAGCJNHI-QMMMGPOBSA-N 1 0 140.230 0.444 50 0 in-vitro ACAARO CC(C)[C@@H]([NH3+])C(C)(C)CO 60302993 343353241 /nfs/dbraw/zinc/35/32/41/343353241.db2.gz PRZVUDNDZMVZFC-SSDOTTSWSA-N 1 0 145.246 0.988 50 0 ACAARO CC(C)[C@H]([NH3+])C(C)(C)CO 60302991 343353369 /nfs/dbraw/zinc/35/33/69/343353369.db2.gz PRZVUDNDZMVZFC-ZETCQYMHSA-N 1 0 145.246 0.988 50 0 ACAARO Cc1cc(N2CC[NH2+]CC2)n[nH]1 60609089 343353794 /nfs/dbraw/zinc/35/37/94/343353794.db2.gz MEWCPBOFWYJTNM-UHFFFAOYSA-N 1 0 166.228 0.128 50 0 ACAARO C[NH2+]C(C)(C)CN(C)C 61319509 343356050 /nfs/dbraw/zinc/35/60/50/343356050.db2.gz DWDKWWUNXACCSS-UHFFFAOYSA-N 1 0 130.235 0.546 50 0 ACAARO C[NH2+]C(C)(C)CN1CCOCC1 61319407 343356348 /nfs/dbraw/zinc/35/63/48/343356348.db2.gz GFXZPPKISPYNCS-UHFFFAOYSA-N 1 0 172.272 0.317 50 0 ACAARO CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 61610966 343357809 /nfs/dbraw/zinc/35/78/09/343357809.db2.gz JVBUGQVYMKHASD-SNVBAGLBSA-N 1 0 192.262 0.817 50 0 in-vitro ACAARO CC1(C[NH3+])CCOCC1 61673939 343359008 /nfs/dbraw/zinc/35/90/08/343359008.db2.gz ORECGNYKJRNVMQ-UHFFFAOYSA-N 1 0 129.203 0.762 50 0 in-vitro ACAARO CC[C@](C)(CO)C[N@@H+]1CC[C@H](O)C1 61712164 343362616 /nfs/dbraw/zinc/36/26/16/343362616.db2.gz VLDARPZOBMMLOB-UWVGGRQHSA-N 1 0 187.283 0.462 50 0 in-vitro ACAARO CC[C@@](C)(CO)C[N@@H+]1CC[C@H](O)C1 61712165 343362702 /nfs/dbraw/zinc/36/27/02/343362702.db2.gz VLDARPZOBMMLOB-VHSXEESVSA-N 1 0 187.283 0.462 50 0 in-vitro ACAARO [NH3+]C[C@H](O)C(F)(F)C(F)(F)F 61857077 343365588 /nfs/dbraw/zinc/36/55/88/343365588.db2.gz FSQUFJQIPQSOBE-REOHCLBHSA-N 1 0 179.088 0.504 50 0 ACAARO [NH3+]C[C@@H](O)C(F)(F)C(F)(F)F 61857078 343365841 /nfs/dbraw/zinc/36/58/41/343365841.db2.gz FSQUFJQIPQSOBE-UWTATZPHSA-N 1 0 179.088 0.504 50 0 ACAARO Cc1ccnc(NC2CC[NH2+]CC2)n1 61859597 343365853 /nfs/dbraw/zinc/36/58/53/343365853.db2.gz APMFUNDOJYAGAX-UHFFFAOYSA-N 1 0 192.266 0.949 50 0 ACAARO Cc1ccnc(O[C@@H]2CC[NH2+]C2)n1 61859896 343366040 /nfs/dbraw/zinc/36/60/40/343366040.db2.gz QFDBKPQDAQQJJC-MRVPVSSYSA-N 1 0 179.223 0.526 50 0 ACAARO Cc1ccnc(O[C@H]2CCC[NH2+]C2)n1 61859916 343366061 /nfs/dbraw/zinc/36/60/61/343366061.db2.gz ZYYWVSLGELPSPX-VIFPVBQESA-N 1 0 193.250 0.916 50 0 ACAARO Cc1ccnc(O[C@@H]2CCC[NH2+]C2)n1 61859914 343366189 /nfs/dbraw/zinc/36/61/89/343366189.db2.gz ZYYWVSLGELPSPX-SECBINFHSA-N 1 0 193.250 0.916 50 0 ACAARO CC(C)NC(=O)[C@H]1CC[NH2+]C1 62112009 343371053 /nfs/dbraw/zinc/37/10/53/343371053.db2.gz XVKARYLNCNLMIO-ZETCQYMHSA-N 1 0 156.229 0.121 50 0 ACAARO CC(C)NC(=O)[C@@H]1CC[NH2+]C1 62112008 343371351 /nfs/dbraw/zinc/37/13/51/343371351.db2.gz XVKARYLNCNLMIO-SSDOTTSWSA-N 1 0 156.229 0.121 50 0 ACAARO CC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 62111984 343371354 /nfs/dbraw/zinc/37/13/54/343371354.db2.gz KWPZLOYCROSQGX-SNVBAGLBSA-N 1 0 196.294 0.854 50 0 in-vitro ACAARO CC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 62111985 343371495 /nfs/dbraw/zinc/37/14/95/343371495.db2.gz KWPZLOYCROSQGX-JTQLQIEISA-N 1 0 196.294 0.854 50 0 in-vitro ACAARO Cc1n[nH]c([C@H]2CC[NH2+]C2)n1 62132663 343371642 /nfs/dbraw/zinc/37/16/42/343371642.db2.gz UQWFVUXCVOHHLM-LURJTMIESA-N 1 0 152.201 0.190 50 0 ACAARO Cc1cnn(C[C@H]2C[NH2+]CCO2)c1 62150958 343371813 /nfs/dbraw/zinc/37/18/13/343371813.db2.gz HWQFITQMUYFYKG-SECBINFHSA-N 1 0 181.239 0.180 50 0 in-vitro ACAARO Cc1cc(C)n(C[C@@H]2C[NH2+]CCO2)n1 62150959 343371819 /nfs/dbraw/zinc/37/18/19/343371819.db2.gz OGQYGLMJTYQJDL-JTQLQIEISA-N 1 0 195.266 0.488 50 0 in-vitro ACAARO C[C@H]([NH3+])CCN1CCCC1=O 62152097 343371831 /nfs/dbraw/zinc/37/18/31/343371831.db2.gz RRGXHOSTEPTSLP-ZETCQYMHSA-N 1 0 156.229 0.346 50 0 ACAARO Cc1n[nH]c([C@@H]2CC[NH2+]C2)n1 62132662 343371894 /nfs/dbraw/zinc/37/18/94/343371894.db2.gz UQWFVUXCVOHHLM-ZCFIWIBFSA-N 1 0 152.201 0.190 50 0 ACAARO Cc1cnn(C[C@@H]2C[NH2+]CCO2)c1 62150956 343372010 /nfs/dbraw/zinc/37/20/10/343372010.db2.gz HWQFITQMUYFYKG-VIFPVBQESA-N 1 0 181.239 0.180 50 0 in-vitro ACAARO Cc1cc(C)n(C[C@H]2C[NH2+]CCO2)n1 62150960 343372022 /nfs/dbraw/zinc/37/20/22/343372022.db2.gz OGQYGLMJTYQJDL-SNVBAGLBSA-N 1 0 195.266 0.488 50 0 in-vitro ACAARO CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccccc1 62208807 343372208 /nfs/dbraw/zinc/37/22/08/343372208.db2.gz UTZZNLNGGAJGIA-GXSJLCMTSA-N 1 0 190.246 0.917 50 0 ACAARO Cc1ccc(C[NH3+])c(=O)n1C 62198840 343372396 /nfs/dbraw/zinc/37/23/96/343372396.db2.gz JCSKKGLIARCELD-UHFFFAOYSA-N 1 0 152.197 0.152 50 0 in-vitro ACAARO CCn1cccc(C[NH3+])c1=O 62171183 343372496 /nfs/dbraw/zinc/37/24/96/343372496.db2.gz XYZKSNZMRVOGQA-UHFFFAOYSA-N 1 0 152.197 0.327 50 0 in-vitro ACAARO Cc1cc(C)n(C)c(=O)c1C[NH3+] 62198806 343372519 /nfs/dbraw/zinc/37/25/19/343372519.db2.gz XATKIQNSVGLPJO-UHFFFAOYSA-N 1 0 166.224 0.461 50 0 ACAARO CN1C(=O)C[C@H]([NH3+])[C@H]1c1cccnc1 62208991 343372870 /nfs/dbraw/zinc/37/28/70/343372870.db2.gz BOXJMJPCKDUFDJ-WCBMZHEXSA-N 1 0 191.234 0.312 50 0 ACAARO Cc1ncc(CC[NH3+])s1 62336559 343373167 /nfs/dbraw/zinc/37/31/67/343373167.db2.gz CFZFHXGVDUYSJK-UHFFFAOYSA-N 1 0 142.227 0.953 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnnn1C1CC1 62494633 343374199 /nfs/dbraw/zinc/37/41/99/343374199.db2.gz NRZCYFRZFCBZDX-BYPYZUCNSA-N 1 0 153.189 0.028 50 0 in-vitro ACAARO C[C@H](CO)CCC[NH3+] 62498385 343374397 /nfs/dbraw/zinc/37/43/97/343374397.db2.gz JTFYMMKMDXPADE-LURJTMIESA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO C[NH2+]CC(C)(C)CCO 62498410 343374351 /nfs/dbraw/zinc/37/43/51/343374351.db2.gz QLRNIBZNLPIYJF-UHFFFAOYSA-N 1 0 131.219 0.614 50 0 in-vitro ACAARO C[C@H](C[NH3+])CCCO 62498389 343374383 /nfs/dbraw/zinc/37/43/83/343374383.db2.gz JFENECNVZGWOMD-LURJTMIESA-N 1 0 117.192 0.354 50 0 ACAARO C[NH2+]C(C)(C)CCO 62498393 343374403 /nfs/dbraw/zinc/37/44/03/343374403.db2.gz VQOUDUVJUBAXKV-UHFFFAOYSA-N 1 0 117.192 0.367 50 0 in-vitro ACAARO C[NH2+]CC(C)(C)COC 62498425 343374425 /nfs/dbraw/zinc/37/44/25/343374425.db2.gz JOMMESUNTRWXSL-UHFFFAOYSA-N 1 0 131.219 0.878 50 0 ACAARO CC1(C)CN(C(=O)C2CC2)CC[NH2+]1 62566874 343375115 /nfs/dbraw/zinc/37/51/15/343375115.db2.gz MFLLUTUMZCKQQF-UHFFFAOYSA-N 1 0 182.267 0.607 50 0 in-vitro ACAARO CC1(C)C[N@@H+]2CCC[C@@H]2CN1 62566296 343375258 /nfs/dbraw/zinc/37/52/58/343375258.db2.gz WWFPGQRZMHDQJL-MRVPVSSYSA-N 1 0 154.257 0.833 50 0 ACAARO CC(C)[C@H]1CNCC[N@@H+]1C 62566258 343375709 /nfs/dbraw/zinc/37/57/09/343375709.db2.gz ZLIRFYITEGBFOY-MRVPVSSYSA-N 1 0 142.246 0.546 50 0 in-vitro ACAARO CC(C)[C@@H]1CNCC[N@@H+]1C 62566256 343375732 /nfs/dbraw/zinc/37/57/32/343375732.db2.gz ZLIRFYITEGBFOY-QMMMGPOBSA-N 1 0 142.246 0.546 50 0 in-vitro ACAARO CC1(C)C[N@@H+]2CCC[C@H]2CN1 62566297 343375741 /nfs/dbraw/zinc/37/57/41/343375741.db2.gz WWFPGQRZMHDQJL-QMMMGPOBSA-N 1 0 154.257 0.833 50 0 ACAARO CN(C)C(=O)N1CC[NH2+]C(C)(C)C1 62567218 343376284 /nfs/dbraw/zinc/37/62/84/343376284.db2.gz LQHSBIYDPVGSQU-UHFFFAOYSA-N 1 0 185.271 0.352 50 0 in-vitro ACAARO Cc1nc(N(C)C)cc(N)[nH+]1 62715682 343378196 /nfs/dbraw/zinc/37/81/96/343378196.db2.gz DPNVRXQEEAKXSJ-UHFFFAOYSA-N 1 0 152.201 0.433 50 0 ACAARO CC[C@]1(O)CC[NH2+]C1 62716689 343378259 /nfs/dbraw/zinc/37/82/59/343378259.db2.gz RDCBTTNCVVAZEK-LURJTMIESA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[C@]1(O)CCC[NH2+]CC1 62716701 343378265 /nfs/dbraw/zinc/37/82/65/343378265.db2.gz NUSFCKJOSCESDP-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO CC[C@@]1(O)CC[NH2+]C1 62716690 343378271 /nfs/dbraw/zinc/37/82/71/343378271.db2.gz RDCBTTNCVVAZEK-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO CC(C)(C)[C@@]1(O)CC[NH2+]C1 62716686 343378351 /nfs/dbraw/zinc/37/83/51/343378351.db2.gz NWJWKBSTUFVBQB-MRVPVSSYSA-N 1 0 143.230 0.757 50 0 ACAARO CC(C)(C)[C@]1(O)CC[NH2+]C1 62716685 343378385 /nfs/dbraw/zinc/37/83/85/343378385.db2.gz NWJWKBSTUFVBQB-QMMMGPOBSA-N 1 0 143.230 0.757 50 0 ACAARO CCc1nc(C[NH3+])c[nH]1 62820771 343382792 /nfs/dbraw/zinc/38/27/92/343382792.db2.gz YDCBPRUBLDZYBI-UHFFFAOYSA-N 1 0 125.175 0.431 50 0 ACAARO CC(C)c1nc(C[NH3+])c[nH]1 62820772 343382830 /nfs/dbraw/zinc/38/28/30/343382830.db2.gz DLICJYJVGOAGEB-UHFFFAOYSA-N 1 0 139.202 0.992 50 0 ACAARO CNC(=O)C1(C)CC[NH2+]CC1 62839444 343383339 /nfs/dbraw/zinc/38/33/39/343383339.db2.gz GCJFSIIVISFIOE-UHFFFAOYSA-N 1 0 156.229 0.122 50 0 ACAARO C[C@]1(C(=O)N2CCCC2)CC[NH2+]C1 62879026 343384036 /nfs/dbraw/zinc/38/40/36/343384036.db2.gz XBDNOXALPIKRGH-JTQLQIEISA-N 1 0 182.267 0.608 50 0 ACAARO O=S1(=O)CCC2(CC[NH2+]CC2)C1 62963618 343388625 /nfs/dbraw/zinc/38/86/25/343388625.db2.gz FVUDNBMDLDEMNF-UHFFFAOYSA-N 1 0 189.280 0.175 50 0 ACAARO CNC(=[NH2+])c1cccnc1 62994477 343395360 /nfs/dbraw/zinc/39/53/60/343395360.db2.gz QPIHZVADOIPPHE-UHFFFAOYSA-N 1 0 135.170 0.626 50 0 ACAARO CNC(=[NH2+])CCOC 62994526 343395390 /nfs/dbraw/zinc/39/53/90/343395390.db2.gz PJEIPBFGTNMPPM-UHFFFAOYSA-N 1 0 116.164 0.220 50 0 in-vitro ACAARO Cc1cnc(O[C@@H]2CCC[NH2+]C2)nc1 63049279 343398667 /nfs/dbraw/zinc/39/86/67/343398667.db2.gz QDIRXQGIMCIUIO-SECBINFHSA-N 1 0 193.250 0.916 50 0 ACAARO CCC1([NH3+])CCOCC1 63077130 343401382 /nfs/dbraw/zinc/40/13/82/343401382.db2.gz JBDVERLQKGIOOT-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO [NH3+][C@@H]1CCC[C@@H]1n1cnnc1 63178141 343405720 /nfs/dbraw/zinc/40/57/20/343405720.db2.gz DITMBZFQBXFPMH-RQJHMYQMSA-N 1 0 152.201 0.330 50 0 ACAARO CN1CCC[C@]12CC[NH2+]C2 64034354 343407194 /nfs/dbraw/zinc/40/71/94/343407194.db2.gz ADMXMXNXEITSAX-MRVPVSSYSA-N 1 0 140.230 0.444 50 0 ACAARO CC1(O)CCC([NH3+])CC1 66351498 343410451 /nfs/dbraw/zinc/41/04/51/343410451.db2.gz KUKASNZJTIKRMH-UHFFFAOYSA-N 1 0 129.203 0.639 50 0 ACAARO CNC(=O)c1ccc(CC[NH3+])cc1 64874372 343407859 /nfs/dbraw/zinc/40/78/59/343407859.db2.gz SCGKTGMPBBLZHL-UHFFFAOYSA-N 1 0 178.235 0.547 50 0 ACAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCC1 65564769 343408452 /nfs/dbraw/zinc/40/84/52/343408452.db2.gz OLIGKWVMXYVEKB-SECBINFHSA-N 1 0 196.294 0.949 50 0 ACAARO CNC(=O)C[N@H+](C)[C@H](C)C1CC1 65575320 343408484 /nfs/dbraw/zinc/40/84/84/343408484.db2.gz FNEMRLPVHLIRMU-SSDOTTSWSA-N 1 0 170.256 0.463 50 0 ACAARO CNC(=O)C[N@H+](C)[C@@H](C)C1CC1 65575319 343408558 /nfs/dbraw/zinc/40/85/58/343408558.db2.gz FNEMRLPVHLIRMU-ZETCQYMHSA-N 1 0 170.256 0.463 50 0 ACAARO CC(C)[N@@H+]1CCNC[C@@H]1CCO 66054484 343408855 /nfs/dbraw/zinc/40/88/55/343408855.db2.gz PVHFBMLZMPINQS-VIFPVBQESA-N 1 0 172.272 0.051 50 0 ACAARO C[C@H]([NH3+])C1CCOCC1 66055003 343408915 /nfs/dbraw/zinc/40/89/15/343408915.db2.gz WMPAKQDIADKRAQ-LURJTMIESA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CC1(C)C[NH2+][C@H](CO)C1 66054705 343408945 /nfs/dbraw/zinc/40/89/45/343408945.db2.gz DJIQDHXAMYMRRC-LURJTMIESA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCNC[C@H]1CCO 66054485 343409060 /nfs/dbraw/zinc/40/90/60/343409060.db2.gz PVHFBMLZMPINQS-SECBINFHSA-N 1 0 172.272 0.051 50 0 ACAARO CC(C)[C@@H]1C[NH2+]CCC1=O 66339372 343410352 /nfs/dbraw/zinc/41/03/52/343410352.db2.gz HBVHMFOBWBIFIC-ZETCQYMHSA-N 1 0 141.214 0.821 50 0 in-vitro ACAARO CC(C)[C@H]1C[NH2+]CCC1=O 66339376 343410429 /nfs/dbraw/zinc/41/04/29/343410429.db2.gz HBVHMFOBWBIFIC-SSDOTTSWSA-N 1 0 141.214 0.821 50 0 in-vitro ACAARO Cc1ccc(C(N)=[NH2+])nn1 67425348 343410732 /nfs/dbraw/zinc/41/07/32/343410732.db2.gz WOFXPZGXPMDYAD-UHFFFAOYSA-N 1 0 136.158 0.069 50 0 ACAARO CC[C@@]1(C(=O)OC)CCC[NH2+]1 67425292 343410669 /nfs/dbraw/zinc/41/06/69/343410669.db2.gz KIGCOSULHHKUKM-QMMMGPOBSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CN1C[C@@]2(CCC[NH2+]CC2)OC1=O 67425256 343410812 /nfs/dbraw/zinc/41/08/12/343410812.db2.gz JRXNPMMTBWQQMF-VIFPVBQESA-N 1 0 184.239 0.581 50 0 in-vitro ACAARO CN1C[C@@]2(CCC[NH2+]C2)CCC1=O 67425158 343410846 /nfs/dbraw/zinc/41/08/46/343410846.db2.gz RPWQHZNDVNXJHW-JTQLQIEISA-N 1 0 182.267 0.608 50 0 ACAARO CC1(C)C[NH2+]CC[C@@H](O)C1 67425277 343410881 /nfs/dbraw/zinc/41/08/81/343410881.db2.gz DTXHKDCPGXNTJX-SSDOTTSWSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO CC1(C)C[NH2+]CC[C@H](O)C1 67425278 343410896 /nfs/dbraw/zinc/41/08/96/343410896.db2.gz DTXHKDCPGXNTJX-ZETCQYMHSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO CC[C@]1(C(=O)OC)CCC[NH2+]1 67425290 343410970 /nfs/dbraw/zinc/41/09/70/343410970.db2.gz KIGCOSULHHKUKM-MRVPVSSYSA-N 1 0 157.213 0.692 50 0 in-vitro ACAARO CN1C[C@]2(CCC[NH2+]C2)CCC1=O 67425160 343410977 /nfs/dbraw/zinc/41/09/77/343410977.db2.gz RPWQHZNDVNXJHW-SNVBAGLBSA-N 1 0 182.267 0.608 50 0 ACAARO CN(C)C(=O)N1CCC([NH3+])CC1 67801072 343411262 /nfs/dbraw/zinc/41/12/62/343411262.db2.gz MAAXXMKMMFYNQL-UHFFFAOYSA-N 1 0 171.244 0.091 50 0 in-vitro ACAARO CN(C)C(=O)N[C@@H]1CCC[NH2+]C1 67802634 343411313 /nfs/dbraw/zinc/41/13/13/343411313.db2.gz MDJZCULZJWAILA-SSDOTTSWSA-N 1 0 171.244 0.010 50 0 ACAARO CC[C@H]1C[NH2+]CCN1CCOC 68587353 343411641 /nfs/dbraw/zinc/41/16/41/343411641.db2.gz RNIACYVDRCTKJQ-VIFPVBQESA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO CCc1cc(=O)[nH]c([C@@](C)([NH3+])CC)n1 68577539 343411654 /nfs/dbraw/zinc/41/16/54/343411654.db2.gz AJPLNKHFQGVPKO-JTQLQIEISA-N 1 0 195.266 0.916 50 0 in-vitro ACAARO C[C@H](O)C[C@H](C)C[NH3+] 68577333 343411671 /nfs/dbraw/zinc/41/16/71/343411671.db2.gz BSJILSAQCDSDCN-WDSKDSINSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CN(C)c1cc2c(nn1)CC[NH2+]C2 68587327 343411682 /nfs/dbraw/zinc/41/16/82/343411682.db2.gz FUKIEUOIMIWRNK-UHFFFAOYSA-N 1 0 178.239 0.188 50 0 ACAARO Cc1ncc2c(n1)C[NH2+]CC2 68587318 343411710 /nfs/dbraw/zinc/41/17/10/343411710.db2.gz SOTVGSLUVOXBFX-UHFFFAOYSA-N 1 0 149.197 0.431 50 0 ACAARO CC[C@@H]1C[NH2+]CCN1CCOC 68587350 343411744 /nfs/dbraw/zinc/41/17/44/343411744.db2.gz RNIACYVDRCTKJQ-SECBINFHSA-N 1 0 172.272 0.317 50 0 in-vitro ACAARO C[C@H](O)C[C@@H](C)C[NH3+] 68577335 343411751 /nfs/dbraw/zinc/41/17/51/343411751.db2.gz BSJILSAQCDSDCN-RITPCOANSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CCc1cc(=O)[nH]c([C@](C)([NH3+])CC)n1 68577537 343411761 /nfs/dbraw/zinc/41/17/61/343411761.db2.gz AJPLNKHFQGVPKO-SNVBAGLBSA-N 1 0 195.266 0.916 50 0 in-vitro ACAARO C[C@H]([NH3+])C(F)F 68577594 343411777 /nfs/dbraw/zinc/41/17/77/343411777.db2.gz SKKXZAXLYWERGC-REOHCLBHSA-N 1 0 95.092 0.599 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])c1ccsc1 68577522 343411869 /nfs/dbraw/zinc/41/18/69/343411869.db2.gz ZAJXVNUBGZQVBD-ZETCQYMHSA-N 1 0 157.238 0.914 50 0 in-vitro ACAARO CC(C)c1nc2n(n1)C[C@@H]([NH3+])CC2 68587429 343412040 /nfs/dbraw/zinc/41/20/40/343412040.db2.gz XXCAWUPUVSNZBS-ZETCQYMHSA-N 1 0 180.255 0.675 50 0 in-vitro ACAARO CC(C)c1nc2n(n1)C[C@H]([NH3+])CC2 68587425 343412141 /nfs/dbraw/zinc/41/21/41/343412141.db2.gz XXCAWUPUVSNZBS-SSDOTTSWSA-N 1 0 180.255 0.675 50 0 in-vitro ACAARO CCc1ncc2c(n1)C[NH2+]CC2 68587491 343412199 /nfs/dbraw/zinc/41/21/99/343412199.db2.gz RQQFQIHYFJXNMK-UHFFFAOYSA-N 1 0 163.224 0.685 50 0 ACAARO CN(c1cccnn1)C1CC[NH2+]CC1 68593589 343412210 /nfs/dbraw/zinc/41/22/10/343412210.db2.gz AESSZJUKVJPBNZ-UHFFFAOYSA-N 1 0 192.266 0.665 50 0 in-vitro ACAARO Cn1nccc1[C@H]([NH3+])c1cccnc1 69020420 343421552 /nfs/dbraw/zinc/42/15/52/343421552.db2.gz JOPCEVXFBARSJY-SNVBAGLBSA-N 1 0 188.234 0.863 50 0 ACAARO Cn1nccc1[C@@H]([NH3+])c1cccnc1 69020423 343421747 /nfs/dbraw/zinc/42/17/47/343421747.db2.gz JOPCEVXFBARSJY-JTQLQIEISA-N 1 0 188.234 0.863 50 0 ACAARO CCn1ccnc1[C@@H](C)[NH3+] 69048038 343423507 /nfs/dbraw/zinc/42/35/07/343423507.db2.gz SMYLQNPARGATRV-ZCFIWIBFSA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO CCn1ccnc1[C@H](C)[NH3+] 69048039 343423517 /nfs/dbraw/zinc/42/35/17/343423517.db2.gz SMYLQNPARGATRV-LURJTMIESA-N 1 0 139.202 0.923 50 0 in-vitro ACAARO C1=C(c2cnccn2)CC[NH2+]C1 69048954 343424027 /nfs/dbraw/zinc/42/40/27/343424027.db2.gz XUIRHKCTPDRCEQ-UHFFFAOYSA-N 1 0 161.208 0.853 50 0 ACAARO CC(C)[NH+]1CCN(C(=O)N(C)C)CC1 69350341 343425319 /nfs/dbraw/zinc/42/53/19/343425319.db2.gz KSOOWQBGEOPJBS-UHFFFAOYSA-N 1 0 199.298 0.694 50 0 ACAARO COC(=O)[C@]1([NH3+])CCOC(C)(C)C1 69543622 343425807 /nfs/dbraw/zinc/42/58/07/343425807.db2.gz FYLQEAJTNLULEM-VIFPVBQESA-N 1 0 187.239 0.446 50 0 ACAARO c1cc([C@H]2CC[NH2+]C2)ncn1 69638768 343430352 /nfs/dbraw/zinc/43/03/52/343430352.db2.gz XRQBVGZNIDPBSF-ZETCQYMHSA-N 1 0 149.197 0.554 50 0 ACAARO Cn1c(=O)oc2cc(C[NH3+])ccc21 69803562 343443701 /nfs/dbraw/zinc/44/37/01/343443701.db2.gz XNYQTDQCTDELDM-UHFFFAOYSA-N 1 0 178.191 0.590 50 0 ACAARO CC(C)(O)c1c[nH+]ccc1N 69842483 343445448 /nfs/dbraw/zinc/44/54/48/343445448.db2.gz DQIVTQPOFYMBNA-UHFFFAOYSA-N 1 0 152.197 0.891 50 0 ACAARO CC[C@@H]1CC[NH2+][C@H](CO)C1 69940257 343456302 /nfs/dbraw/zinc/45/63/02/343456302.db2.gz SMYPOQPVFOAJQJ-SFYZADRCSA-N 1 0 143.230 0.757 50 0 ACAARO [NH3+]C1CCN(c2nncs2)CC1 69967148 343461608 /nfs/dbraw/zinc/46/16/08/343461608.db2.gz RCUGCNDWXXTCMK-UHFFFAOYSA-N 1 0 184.268 0.466 50 0 ACAARO [NH3+]C[C@H]1CC(C2CC2)=NO1 69978211 343463387 /nfs/dbraw/zinc/46/33/87/343463387.db2.gz DRPLXDIHSDKTFX-ZCFIWIBFSA-N 1 0 140.186 0.500 50 0 ACAARO [NH3+]C[C@@H]1CC(C2CC2)=NO1 69978209 343463405 /nfs/dbraw/zinc/46/34/05/343463405.db2.gz DRPLXDIHSDKTFX-LURJTMIESA-N 1 0 140.186 0.500 50 0 ACAARO C[C@]1([NH3+])CCCOC1 70012137 343465922 /nfs/dbraw/zinc/46/59/22/343465922.db2.gz XUQPKAUREVHBJK-LURJTMIESA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO C[C@@]1([NH3+])CCCOC1 70012141 343466026 /nfs/dbraw/zinc/46/60/26/343466026.db2.gz XUQPKAUREVHBJK-ZCFIWIBFSA-N 1 0 115.176 0.514 50 0 in-vitro ACAARO CC(C)(C)N1CCC[C@@H]([NH3+])C1=O 70061965 343471636 /nfs/dbraw/zinc/47/16/36/343471636.db2.gz PXGBGPDRDABIBM-SSDOTTSWSA-N 1 0 170.256 0.735 50 0 ACAARO CC(C)(C)N1CCC[C@H]([NH3+])C1=O 70061964 343471837 /nfs/dbraw/zinc/47/18/37/343471837.db2.gz PXGBGPDRDABIBM-ZETCQYMHSA-N 1 0 170.256 0.735 50 0 ACAARO C[C@H](C[NH3+])N1CCCCC1=O 70162236 343476103 /nfs/dbraw/zinc/47/61/03/343476103.db2.gz WJADHLCBPWNDAF-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO CC(=O)NC[C@H](C)C[NH+]1CCCC1 70227226 343482277 /nfs/dbraw/zinc/48/22/77/343482277.db2.gz IUXPVGGBIGTFIZ-VIFPVBQESA-N 1 0 184.283 0.854 50 0 ACAARO CC(=O)NC[C@@H](C)C[NH+]1CCCC1 70227227 343482338 /nfs/dbraw/zinc/48/23/38/343482338.db2.gz IUXPVGGBIGTFIZ-SECBINFHSA-N 1 0 184.283 0.854 50 0 ACAARO CC1(C)C[C@@]1(C[NH3+])CO 70500764 343488664 /nfs/dbraw/zinc/48/86/64/343488664.db2.gz BDPVGSNZNXLOHZ-SSDOTTSWSA-N 1 0 129.203 0.354 50 0 ACAARO CN(C)c1cnc(C[NH3+])cn1 70581152 343495122 /nfs/dbraw/zinc/49/51/22/343495122.db2.gz JBICIOACIKMMJM-UHFFFAOYSA-N 1 0 152.201 0.001 50 0 ACAARO C[NH2+][C@H]1CCO[C@H](C)C1 70621727 343504935 /nfs/dbraw/zinc/50/49/35/343504935.db2.gz JNMHEVIOUPMXST-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 ACAARO C[NH2+][C@@H]1CCO[C@H](C)C1 70621725 343505156 /nfs/dbraw/zinc/50/51/56/343505156.db2.gz JNMHEVIOUPMXST-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 ACAARO C[C@H]1CC[C@H]([NH2+]CCO)C1 70621852 343505216 /nfs/dbraw/zinc/50/52/16/343505216.db2.gz ZZQIOQXHMKWKTB-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+][C@@H]1CCO[C@@H](C)C1 70621726 343505267 /nfs/dbraw/zinc/50/52/67/343505267.db2.gz JNMHEVIOUPMXST-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 ACAARO C[C@H]1CC[C@@H]([NH2+]CCO)C1 70621854 343505316 /nfs/dbraw/zinc/50/53/16/343505316.db2.gz ZZQIOQXHMKWKTB-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[NH2+][C@H]1CCO[C@@H](C)C1 70621728 343505320 /nfs/dbraw/zinc/50/53/20/343505320.db2.gz JNMHEVIOUPMXST-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 ACAARO [NH3+]Cc1cc(=O)[nH]c(C2CC2)n1 70628607 343508169 /nfs/dbraw/zinc/50/81/69/343508169.db2.gz NYADEMPSBIUASI-UHFFFAOYSA-N 1 0 165.196 0.106 50 0 ACAARO C[C@H]1CC[C@]([NH3+])(CO)C1 70645229 343516455 /nfs/dbraw/zinc/51/64/55/343516455.db2.gz BQLOTSKFDCQLRE-NKWVEPMBSA-N 1 0 129.203 0.496 50 0 ACAARO C[C@@H]1CC[C@@]([NH3+])(CO)C1 70645230 343516669 /nfs/dbraw/zinc/51/66/69/343516669.db2.gz BQLOTSKFDCQLRE-RQJHMYQMSA-N 1 0 129.203 0.496 50 0 ACAARO C[C@H]1CC[C@@]([NH3+])(CO)C1 70645231 343516677 /nfs/dbraw/zinc/51/66/77/343516677.db2.gz BQLOTSKFDCQLRE-BQBZGAKWSA-N 1 0 129.203 0.496 50 0 ACAARO C[C@@H]1CC[C@]([NH3+])(CO)C1 70645228 343516732 /nfs/dbraw/zinc/51/67/32/343516732.db2.gz BQLOTSKFDCQLRE-RNFRBKRXSA-N 1 0 129.203 0.496 50 0 ACAARO CC1(C)CCC([NH3+])(C(N)=O)CC1 70654445 343520344 /nfs/dbraw/zinc/52/03/44/343520344.db2.gz SCEKEGZXSWOPCH-UHFFFAOYSA-N 1 0 170.256 0.769 50 0 ACAARO C[C@H]1CCC[C@@H]1[NH2+]CCO 70829498 343534367 /nfs/dbraw/zinc/53/43/67/343534367.db2.gz VZZLRLOGBIIRNV-YUMQZZPRSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO COC(=O)[C@@]1([NH3+])CC[C@@H](C)C1 70763934 343529163 /nfs/dbraw/zinc/52/91/63/343529163.db2.gz ZCNQJUIOFGXPTD-HTRCEHHLSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@]1([NH3+])CC[C@@H](C)C1 70763936 343529193 /nfs/dbraw/zinc/52/91/93/343529193.db2.gz ZCNQJUIOFGXPTD-SVRRBLITSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@@]1([NH3+])CC[C@H](C)C1 70763935 343529197 /nfs/dbraw/zinc/52/91/97/343529197.db2.gz ZCNQJUIOFGXPTD-POYBYMJQSA-N 1 0 157.213 0.677 50 0 ACAARO COC(=O)[C@]1([NH3+])CC[C@H](C)C1 70763937 343529234 /nfs/dbraw/zinc/52/92/34/343529234.db2.gz ZCNQJUIOFGXPTD-XPUUQOCRSA-N 1 0 157.213 0.677 50 0 ACAARO COc1ccc(C[C@@](C)([NH3+])CO)cc1 70820400 343533208 /nfs/dbraw/zinc/53/32/08/343533208.db2.gz FNUMSYUSWLPIJJ-LLVKDONJSA-N 1 0 195.262 0.947 50 0 ACAARO COc1ccc(C[C@](C)([NH3+])CO)cc1 70820401 343533397 /nfs/dbraw/zinc/53/33/97/343533397.db2.gz FNUMSYUSWLPIJJ-NSHDSACASA-N 1 0 195.262 0.947 50 0 ACAARO C[C@H]1CCC[C@H]1[NH2+]CCO 70829506 343534460 /nfs/dbraw/zinc/53/44/60/343534460.db2.gz VZZLRLOGBIIRNV-JGVFFNPUSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO CCC[NH+]1CC(O)C1 70839674 343536913 /nfs/dbraw/zinc/53/69/13/343536913.db2.gz UELHSANKOLQHTB-UHFFFAOYSA-N 1 0 115.176 0.073 50 0 in-vitro ACAARO [NH3+][C@H](CO)C[C@@H]1CCCCO1 70884223 343538606 /nfs/dbraw/zinc/53/86/06/343538606.db2.gz PTUBWMDHGLXCEL-YUMQZZPRSA-N 1 0 159.229 0.265 50 0 ACAARO [NH3+][C@H](CO)C[C@H]1CCCCO1 70884229 343538624 /nfs/dbraw/zinc/53/86/24/343538624.db2.gz PTUBWMDHGLXCEL-JGVFFNPUSA-N 1 0 159.229 0.265 50 0 ACAARO [NH3+][C@@H](CO)CC1CCOCC1 70884726 343538831 /nfs/dbraw/zinc/53/88/31/343538831.db2.gz RBWJWGLIQFODIB-MRVPVSSYSA-N 1 0 159.229 0.123 50 0 ACAARO [NH3+][C@H](CO)CC1CCOCC1 70884720 343538891 /nfs/dbraw/zinc/53/88/91/343538891.db2.gz RBWJWGLIQFODIB-QMMMGPOBSA-N 1 0 159.229 0.123 50 0 ACAARO [NH3+][C@@H](CO)C[C@H]1CCCCO1 70884237 343538930 /nfs/dbraw/zinc/53/89/30/343538930.db2.gz PTUBWMDHGLXCEL-HTQZYQBOSA-N 1 0 159.229 0.265 50 0 ACAARO Cc1nc(CN(C)[C@@H]2CC[NH2+]C2)no1 70895488 343539861 /nfs/dbraw/zinc/53/98/61/343539861.db2.gz LLJCEPUFQPXEPR-MRVPVSSYSA-N 1 0 196.254 0.172 50 0 ACAARO Cc1cnc(N(C)[C@H]2CC[NH2+]C2)nc1 70896744 343540224 /nfs/dbraw/zinc/54/02/24/343540224.db2.gz PDPULNQRIZWOJD-VIFPVBQESA-N 1 0 192.266 0.583 50 0 ACAARO CN(c1ncccn1)[C@@H]1CC[NH2+]C1 70896869 343540270 /nfs/dbraw/zinc/54/02/70/343540270.db2.gz VIKMWCQJSAZNAE-MRVPVSSYSA-N 1 0 178.239 0.275 50 0 ACAARO CN(c1ncccn1)[C@H]1CC[NH2+]C1 70896875 343540281 /nfs/dbraw/zinc/54/02/81/343540281.db2.gz VIKMWCQJSAZNAE-QMMMGPOBSA-N 1 0 178.239 0.275 50 0 ACAARO CN(Cc1ncccn1)[C@H]1CC[NH2+]C1 70896120 343540347 /nfs/dbraw/zinc/54/03/47/343540347.db2.gz PUDZEPMXDFCSOH-VIFPVBQESA-N 1 0 192.266 0.270 50 0 ACAARO CC[C@](C)(CO)[NH2+]Cc1cnn(C)c1 70898579 343540443 /nfs/dbraw/zinc/54/04/43/343540443.db2.gz ODLXIBTZTHYMHZ-SNVBAGLBSA-N 1 0 197.282 0.671 50 0 ACAARO CN(Cc1ncccn1)[C@@H]1CC[NH2+]C1 70896111 343540466 /nfs/dbraw/zinc/54/04/66/343540466.db2.gz PUDZEPMXDFCSOH-SECBINFHSA-N 1 0 192.266 0.270 50 0 ACAARO CC[C@@](C)(CO)[NH2+]Cc1cnn(C)c1 70898572 343540543 /nfs/dbraw/zinc/54/05/43/343540543.db2.gz ODLXIBTZTHYMHZ-JTQLQIEISA-N 1 0 197.282 0.671 50 0 ACAARO Cc1cnc(N(C)[C@@H]2CC[NH2+]C2)nc1 70896738 343540551 /nfs/dbraw/zinc/54/05/51/343540551.db2.gz PDPULNQRIZWOJD-SECBINFHSA-N 1 0 192.266 0.583 50 0 ACAARO CC[C@](C)([NH3+])c1nc(C)cc(=O)[nH]1 70948738 343542899 /nfs/dbraw/zinc/54/28/99/343542899.db2.gz VBFIBIYVOFAFFD-VIFPVBQESA-N 1 0 181.239 0.662 50 0 ACAARO CCc1c(C)nc(C(C)(C)[NH3+])[nH]c1=O 70948602 343542907 /nfs/dbraw/zinc/54/29/07/343542907.db2.gz DVVHNUYOGTZEAC-UHFFFAOYSA-N 1 0 195.266 0.835 50 0 ACAARO Cc1nc(C(C)(C)[NH3+])[nH]c(=O)c1C 70948598 343542928 /nfs/dbraw/zinc/54/29/28/343542928.db2.gz QVQLXJMTRYYTBM-UHFFFAOYSA-N 1 0 181.239 0.581 50 0 ACAARO CC[C@@](C)([NH3+])c1nc(C)cc(=O)[nH]1 70948741 343542978 /nfs/dbraw/zinc/54/29/78/343542978.db2.gz VBFIBIYVOFAFFD-SECBINFHSA-N 1 0 181.239 0.662 50 0 ACAARO CC[C@](C)([NH3+])c1nc(C)c(C)c(=O)[nH]1 70948759 343543026 /nfs/dbraw/zinc/54/30/26/343543026.db2.gz UARYTRYQTQCTQO-JTQLQIEISA-N 1 0 195.266 0.971 50 0 ACAARO Cc1nc(C[NH3+])nc(C)c1C 70947550 343543042 /nfs/dbraw/zinc/54/30/42/343543042.db2.gz NQJDNJQPLNCTSE-UHFFFAOYSA-N 1 0 151.213 0.861 50 0 ACAARO CC[C@@](C)([NH3+])c1nc(C)c(C)c(=O)[nH]1 70948763 343543118 /nfs/dbraw/zinc/54/31/18/343543118.db2.gz UARYTRYQTQCTQO-SNVBAGLBSA-N 1 0 195.266 0.971 50 0 ACAARO CC(C)[NH2+][C@H]1CCOC1 70962383 343544804 /nfs/dbraw/zinc/54/48/04/343544804.db2.gz KMKZGPAZTJKUFQ-ZETCQYMHSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO CC(C)[NH2+][C@@H]1CCOC1 70962381 343544863 /nfs/dbraw/zinc/54/48/63/343544863.db2.gz KMKZGPAZTJKUFQ-SSDOTTSWSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 70969215 343545790 /nfs/dbraw/zinc/54/57/90/343545790.db2.gz ZWHFXKUAIRYQRY-UTLUCORTSA-N 1 0 185.267 0.668 50 0 ACAARO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCOC1 71023768 343548843 /nfs/dbraw/zinc/54/88/43/343548843.db2.gz ZPESVZMFGMSOLR-SFYZADRCSA-N 1 0 186.255 0.019 50 0 ACAARO CC[C@H]([NH3+])C(=O)N[C@H]1CCCOC1 71023776 343548901 /nfs/dbraw/zinc/54/89/01/343548901.db2.gz ZPESVZMFGMSOLR-YUMQZZPRSA-N 1 0 186.255 0.019 50 0 ACAARO Cc1ccc(C(N)=[NH2+])nc1 71186668 343551095 /nfs/dbraw/zinc/55/10/95/343551095.db2.gz KNRUGAPRPJNWOW-UHFFFAOYSA-N 1 0 135.170 0.674 50 0 in-vitro ACAARO CC1(C)C[C@H](O)CC[NH2+]1 71186831 343551127 /nfs/dbraw/zinc/55/11/27/343551127.db2.gz UIBILPLZRULHTE-ZCFIWIBFSA-N 1 0 129.203 0.509 50 0 ACAARO CC(C)[C@H]1CC(=O)CC[NH2+]1 71250576 343551142 /nfs/dbraw/zinc/55/11/42/343551142.db2.gz XIZBDGDHOCXWOJ-MRVPVSSYSA-N 1 0 141.214 0.964 50 0 in-vitro ACAARO CC1(C)C[C@@H](O)CC[NH2+]1 71186832 343551266 /nfs/dbraw/zinc/55/12/66/343551266.db2.gz UIBILPLZRULHTE-LURJTMIESA-N 1 0 129.203 0.509 50 0 ACAARO CC(C)(C)OC(=O)[C@](C)(N)C[NH3+] 71186617 343551470 /nfs/dbraw/zinc/55/14/70/343551470.db2.gz BHPYSCPIJNKEPC-MRVPVSSYSA-N 1 0 174.244 0.004 50 0 ACAARO CN1CC[NH+](C2CCC(=O)CC2)CC1 71256927 343551892 /nfs/dbraw/zinc/55/18/92/343551892.db2.gz NAOHDHPUKPYRAO-UHFFFAOYSA-N 1 0 196.294 0.746 50 0 ACAARO Cc1ccc([C@](C)(O)C[NH3+])o1 71372342 343552168 /nfs/dbraw/zinc/55/21/68/343552168.db2.gz KWVBLNLMSMEPMJ-MRVPVSSYSA-N 1 0 155.197 0.754 50 0 in-vitro ACAARO C[NH+]1CCC(C)(CO)CC1 71372404 343552216 /nfs/dbraw/zinc/55/22/16/343552216.db2.gz UDWZVJRTZQERAX-UHFFFAOYSA-N 1 0 143.230 0.711 50 0 in-vitro ACAARO C[C@]1(CO)CCCC[NH2+]1 71372381 343552273 /nfs/dbraw/zinc/55/22/73/343552273.db2.gz RPUZRRCAXCJUNW-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO CN1C[C@]2(CCC[NH2+]C2)OC1=O 71372397 343552401 /nfs/dbraw/zinc/55/24/01/343552401.db2.gz UVSHUQDLWJHHEB-MRVPVSSYSA-N 1 0 170.212 0.191 50 0 in-vitro ACAARO C[C@](O)(C[NH3+])c1ccco1 71372527 343552402 /nfs/dbraw/zinc/55/24/02/343552402.db2.gz HCEFDRFLECEKNL-ZETCQYMHSA-N 1 0 141.170 0.446 50 0 in-vitro ACAARO C[C@@]1(CO)CCC[C@H]1[NH3+] 71372418 343552485 /nfs/dbraw/zinc/55/24/85/343552485.db2.gz VGJDOVOKSWFTCD-RQJHMYQMSA-N 1 0 129.203 0.496 50 0 in-vitro ACAARO CC[C@H](O)CCC[NH3+] 71372439 343552534 /nfs/dbraw/zinc/55/25/34/343552534.db2.gz GWIBVMYPMCXSKP-LURJTMIESA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO CC[C@@H](O)CCC[NH3+] 71372440 343552537 /nfs/dbraw/zinc/55/25/37/343552537.db2.gz GWIBVMYPMCXSKP-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO Cc1cc(N2CC[NH2+]CC2)no1 71478401 343553630 /nfs/dbraw/zinc/55/36/30/343553630.db2.gz XIZNVTWUUCDIDW-UHFFFAOYSA-N 1 0 167.212 0.393 50 0 ACAARO C[C@H]1CN(Cc2ccccn2)CC[NH2+]1 71505991 343555617 /nfs/dbraw/zinc/55/56/17/343555617.db2.gz OUFYRZYCDNUMNK-JTQLQIEISA-N 1 0 191.278 0.875 50 0 ACAARO C[C@H]1CN(Cc2cccnc2)CC[NH2+]1 71505993 343555674 /nfs/dbraw/zinc/55/56/74/343555674.db2.gz AOODYKYCBCADEQ-JTQLQIEISA-N 1 0 191.278 0.875 50 0 ACAARO CC[C@H]([NH3+])C(N)=O 71621752 343556874 /nfs/dbraw/zinc/55/68/74/343556874.db2.gz HNNJFUDLLWOVKZ-VKHMYHEASA-N 1 0 102.137 0.259 50 0 in-vitro ACAARO Cc1ccc(C)n1CC[NH2+]CCO 71773250 343557419 /nfs/dbraw/zinc/55/74/19/343557419.db2.gz KAXPLWBNARDOBH-UHFFFAOYSA-N 1 0 182.267 0.687 50 0 ACAARO C[NH2+]C(C)(C)C[C@H](C)O 71773002 343557518 /nfs/dbraw/zinc/55/75/18/343557518.db2.gz AGKLIXYBSDVGRD-LURJTMIESA-N 1 0 131.219 0.755 50 0 ACAARO C[NH2+]C(C)(C)C[C@@H](C)O 71773003 343557540 /nfs/dbraw/zinc/55/75/40/343557540.db2.gz AGKLIXYBSDVGRD-ZCFIWIBFSA-N 1 0 131.219 0.755 50 0 ACAARO C[C@H]([NH3+])CC[S@](C)=O 71790283 343558325 /nfs/dbraw/zinc/55/83/25/343558325.db2.gz MFWOBUUJNZADED-YLWLKBPMSA-N 1 0 135.232 0.102 50 0 ACAARO CCCCOC(=O)N1CC[NH2+]CC1 71773896 343558222 /nfs/dbraw/zinc/55/82/22/343558222.db2.gz AILAQOYFPLQIFN-UHFFFAOYSA-N 1 0 186.255 0.828 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@@H]1CCOC1 71790324 343558452 /nfs/dbraw/zinc/55/84/52/343558452.db2.gz BCXBWUCRPJDKOX-RQJHMYQMSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@@H]1CCOC1 71790325 343558577 /nfs/dbraw/zinc/55/85/77/343558577.db2.gz BCXBWUCRPJDKOX-RNFRBKRXSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C[C@@H](C)CO 71790811 343558816 /nfs/dbraw/zinc/55/88/16/343558816.db2.gz SBJSMWHMOBKEDA-RNFRBKRXSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CCN1C[C@@H](C)O 71790924 343558830 /nfs/dbraw/zinc/55/88/30/343558830.db2.gz VTDXGKKJBHENSM-RKDXNWHRSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO Cc1cc(=O)[nH]c(C(C)(C)[NH3+])n1 71803651 343558908 /nfs/dbraw/zinc/55/89/08/343558908.db2.gz PXOCFZAFLYQNTC-UHFFFAOYSA-N 1 0 167.212 0.272 50 0 ACAARO CC[C@@H]([NH3+])[C@H]1CCOC1 71790327 343558934 /nfs/dbraw/zinc/55/89/34/343558934.db2.gz BCXBWUCRPJDKOX-NKWVEPMBSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@H]1CCOC1 71790326 343558997 /nfs/dbraw/zinc/55/89/97/343558997.db2.gz BCXBWUCRPJDKOX-BQBZGAKWSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CCc1nsc(N2CC[NH2+]CC2)n1 71790742 343558999 /nfs/dbraw/zinc/55/89/99/343558999.db2.gz XWASAOJLRJWZHK-UHFFFAOYSA-N 1 0 198.295 0.510 50 0 in-vitro ACAARO CC(C)N1C[C@@H]2CC[C@H](C1)[NH2+]2 71985337 343559121 /nfs/dbraw/zinc/55/91/21/343559121.db2.gz GMRGMGDUOXGIBC-DTORHVGOSA-N 1 0 154.257 0.831 50 0 ACAARO CN1C[C@@H]2CC[C@H]1C[NH2+]C2 72109534 343559457 /nfs/dbraw/zinc/55/94/57/343559457.db2.gz YMTUWYHKZORWRX-SFYZADRCSA-N 1 0 140.230 0.300 50 0 ACAARO CCc1nc(C(C)(C)[NH3+])[nH]c(=O)c1C 71859257 343559524 /nfs/dbraw/zinc/55/95/24/343559524.db2.gz HUVFGHSUMKHJPK-UHFFFAOYSA-N 1 0 195.266 0.835 50 0 ACAARO CCc1c(N)nc(C(C)(C)[NH3+])[nH]c1=O 71859347 343559580 /nfs/dbraw/zinc/55/95/80/343559580.db2.gz GXNBLXWVSXRWPX-UHFFFAOYSA-N 1 0 196.254 0.108 50 0 ACAARO CC1(c2cc(=O)[nH][nH]2)CC[NH2+]CC1 72187508 343559902 /nfs/dbraw/zinc/55/99/02/343559902.db2.gz WOWXSMVDJMQJHQ-UHFFFAOYSA-N 1 0 181.239 0.756 50 0 ACAARO C[C@@]1(c2cc(=O)[nH][nH]2)CCC[NH2+]C1 72187580 343560187 /nfs/dbraw/zinc/56/01/87/343560187.db2.gz JMWSLMRSUIOJKN-SECBINFHSA-N 1 0 181.239 0.756 50 0 ACAARO CC1([NH3+])CSC1 72194299 343560465 /nfs/dbraw/zinc/56/04/65/343560465.db2.gz RBHLHYVXPUQTPN-UHFFFAOYSA-N 1 0 103.190 0.451 50 0 ACAARO Cc1nccnc1O[C@H]1CC[NH2+]C1 72202963 343561531 /nfs/dbraw/zinc/56/15/31/343561531.db2.gz UPDKPJQHXZEPRR-QMMMGPOBSA-N 1 0 179.223 0.526 50 0 ACAARO CC(C)Cn1ccc(C[NH3+])n1 72207578 343562483 /nfs/dbraw/zinc/56/24/83/343562483.db2.gz XIIKZYQRJMZSSN-UHFFFAOYSA-N 1 0 153.229 0.998 50 0 ACAARO CC(C)[C@@H](C[NH3+])CO 72210240 343563417 /nfs/dbraw/zinc/56/34/17/343563417.db2.gz JUZQUSSFETVSOF-LURJTMIESA-N 1 0 117.192 0.210 50 0 in-vitro ACAARO CC(C)[C@H](C[NH3+])CO 72210241 343563724 /nfs/dbraw/zinc/56/37/24/343563724.db2.gz JUZQUSSFETVSOF-ZCFIWIBFSA-N 1 0 117.192 0.210 50 0 in-vitro ACAARO Cc1cc(NC(=O)CCC[NH3+])on1 72220450 343564639 /nfs/dbraw/zinc/56/46/39/343564639.db2.gz DWXGDJRPAATHLN-UHFFFAOYSA-N 1 0 183.211 0.660 50 0 ACAARO Cc1cc(NC(=O)CC[NH3+])on1 72220449 343564823 /nfs/dbraw/zinc/56/48/23/343564823.db2.gz OAYBSGHHXQKQKR-UHFFFAOYSA-N 1 0 169.184 0.270 50 0 ACAARO CC1CC(C[NH3+])C1 72226717 343567182 /nfs/dbraw/zinc/56/71/82/343567182.db2.gz GSVPWASAUVYUBM-UHFFFAOYSA-N 1 0 99.177 0.991 50 0 in-vitro ACAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1 72233220 343567258 /nfs/dbraw/zinc/56/72/58/343567258.db2.gz VJSUDAXXXXTREH-IUCAKERBSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CCCC[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1 72233297 343567543 /nfs/dbraw/zinc/56/75/43/343567543.db2.gz UMCUFNLUPHYNDS-GARJFASQSA-N 1 0 198.310 0.584 50 0 ACAARO C[C@H]1CC[C@H](O)C[NH2+]1 72231381 343567567 /nfs/dbraw/zinc/56/75/67/343567567.db2.gz UAZCJMVDJHUBIA-WDSKDSINSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO C[C@H]1CC[C@@H](O)C[NH2+]1 72231383 343567569 /nfs/dbraw/zinc/56/75/69/343567569.db2.gz UAZCJMVDJHUBIA-NTSWFWBYSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO Cc1cc(N)c(N)c(C)[nH+]1 72231539 343567681 /nfs/dbraw/zinc/56/76/81/343567681.db2.gz DIRTVLYRIHDHES-UHFFFAOYSA-N 1 0 137.186 0.863 50 0 in-vitro ACAARO CN1C[C@H]2CCC[NH2+][C@H]2C1 72266793 343568414 /nfs/dbraw/zinc/56/84/14/343568414.db2.gz ACSQOHDWJKTBRH-SFYZADRCSA-N 1 0 140.230 0.300 50 0 ACAARO CC(C)n1nc2c(cc1=O)C[NH2+]CC2 72297732 343568436 /nfs/dbraw/zinc/56/84/36/343568436.db2.gz UDXBSHHCONFBBW-UHFFFAOYSA-N 1 0 193.250 0.470 50 0 in-vitro ACAARO CC[C@H]1CN(C(C)=O)[C@@H](CC)C[NH2+]1 72293303 343568513 /nfs/dbraw/zinc/56/85/13/343568513.db2.gz WRNDYNIWQCAYOR-UWVGGRQHSA-N 1 0 184.283 0.995 50 0 in-vitro ACAARO CC[C@@](C)([NH3+])CC(=O)OC 72266663 343568551 /nfs/dbraw/zinc/56/85/51/343568551.db2.gz ZQKIEOBCNUGBIS-SSDOTTSWSA-N 1 0 145.202 0.677 50 0 in-vitro ACAARO Cc1nc2n(n1)CCC[C@@H]2[NH3+] 72297334 343568560 /nfs/dbraw/zinc/56/85/60/343568560.db2.gz GREJTVKJTDGUQI-LURJTMIESA-N 1 0 152.201 0.380 50 0 in-vitro ACAARO CC1(NC(=O)OC(C)(C)C)C[NH2+]C1 72267038 343568571 /nfs/dbraw/zinc/56/85/71/343568571.db2.gz BFHSUIWEPMCBQR-UHFFFAOYSA-N 1 0 186.255 0.873 50 0 in-vitro ACAARO Cc1nc2n(n1)CCC[C@H]2[NH3+] 72297335 343568573 /nfs/dbraw/zinc/56/85/73/343568573.db2.gz GREJTVKJTDGUQI-ZCFIWIBFSA-N 1 0 152.201 0.380 50 0 in-vitro ACAARO CC[C@H]1CN(C(C)=O)[C@H](CC)C[NH2+]1 72293302 343568589 /nfs/dbraw/zinc/56/85/89/343568589.db2.gz WRNDYNIWQCAYOR-VHSXEESVSA-N 1 0 184.283 0.995 50 0 in-vitro ACAARO C[C@H](N1CC[NH2+]CC1)C(F)(F)F 72302884 343568913 /nfs/dbraw/zinc/56/89/13/343568913.db2.gz WCRXTGORRIAFDQ-LURJTMIESA-N 1 0 182.189 0.842 50 0 in-vitro ACAARO CC[C@@H]1CN(C(C)=O)[C@H](CC)C[NH2+]1 72293300 343568708 /nfs/dbraw/zinc/56/87/08/343568708.db2.gz WRNDYNIWQCAYOR-NXEZZACHSA-N 1 0 184.283 0.995 50 0 in-vitro ACAARO C[C@H]1SCC[C@H]1[NH3+] 72266669 343568804 /nfs/dbraw/zinc/56/88/04/343568804.db2.gz IHJAUMYYRHUBBQ-RFZPGFLSSA-N 1 0 117.217 0.839 50 0 ACAARO CC[C@H]1C[NH2+][C@H](CC)CN1C(C)=O 72293301 343568817 /nfs/dbraw/zinc/56/88/17/343568817.db2.gz WRNDYNIWQCAYOR-ZJUUUORDSA-N 1 0 184.283 0.995 50 0 in-vitro ACAARO CC1CC([NH3+])C1 72266580 343568820 /nfs/dbraw/zinc/56/88/20/343568820.db2.gz GNHDRVDLNQEOPA-UHFFFAOYSA-N 1 0 85.150 0.744 50 0 in-vitro ACAARO C[C@H]([NH3+])Cc1ccnn1C 72339739 343569012 /nfs/dbraw/zinc/56/90/12/343569012.db2.gz WSEPNFHKQUELMV-LURJTMIESA-N 1 0 139.202 0.310 50 0 in-vitro ACAARO CC1=CC(=[NH2+])NCN1C(C)C 72336331 343569158 /nfs/dbraw/zinc/56/91/58/343569158.db2.gz GQHKBVQFRFSEEK-UHFFFAOYSA-N 1 0 153.229 0.929 50 0 ACAARO Cc1nnc2n1CCC[C@@H]2[NH3+] 72313242 343569229 /nfs/dbraw/zinc/56/92/29/343569229.db2.gz YRQUFBNVMMTCEX-LURJTMIESA-N 1 0 152.201 0.380 50 0 in-vitro ACAARO Cc1nnc2n1CCC[C@H]2[NH3+] 72313243 343569302 /nfs/dbraw/zinc/56/93/02/343569302.db2.gz YRQUFBNVMMTCEX-ZCFIWIBFSA-N 1 0 152.201 0.380 50 0 in-vitro ACAARO Cc1c[nH]nc1[C@@]1(C)C[NH2+]CCO1 72344524 343569411 /nfs/dbraw/zinc/56/94/11/343569411.db2.gz TVZZAMZVHCYDLU-SECBINFHSA-N 1 0 181.239 0.553 50 0 ACAARO CN1C(=O)[C@@H]2CCC[C@H]1C[NH2+]C2 72362057 343569867 /nfs/dbraw/zinc/56/98/67/343569867.db2.gz XVEWOCXKHJFPCH-SFYZADRCSA-N 1 0 168.240 0.217 50 0 ACAARO Cc1cnc(N)nc1[C@H]1CCC[NH2+]C1 72344135 343569979 /nfs/dbraw/zinc/56/99/79/343569979.db2.gz GZSLIJYCGLXMRD-QMMMGPOBSA-N 1 0 192.266 0.834 50 0 ACAARO Cc1c[nH]nc1[C@]1(C)C[NH2+]CCO1 72344523 343569982 /nfs/dbraw/zinc/56/99/82/343569982.db2.gz TVZZAMZVHCYDLU-VIFPVBQESA-N 1 0 181.239 0.553 50 0 ACAARO [NH3+]C[C@H]1CCOC2(CCOCC2)C1 74281247 343571731 /nfs/dbraw/zinc/57/17/31/343571731.db2.gz XANWWWVLZHMFPG-VIFPVBQESA-N 1 0 185.267 0.921 50 0 in-vitro ACAARO Cc1nc([C@H]([NH3+])[C@@H](C)O)cs1 74309945 343572092 /nfs/dbraw/zinc/57/20/92/343572092.db2.gz VTSLCFNGVMRGIP-CLZZGJSISA-N 1 0 172.253 0.832 50 0 ACAARO Cc1nc([C@@H]([NH3+])[C@H](C)O)cs1 74309950 343572111 /nfs/dbraw/zinc/57/21/11/343572111.db2.gz VTSLCFNGVMRGIP-FFWSUHOLSA-N 1 0 172.253 0.832 50 0 ACAARO Cc1nc([C@@H]([NH3+])[C@@H](C)O)cs1 74309947 343572140 /nfs/dbraw/zinc/57/21/40/343572140.db2.gz VTSLCFNGVMRGIP-FBCQKBJTSA-N 1 0 172.253 0.832 50 0 ACAARO Cc1ccc2nc(C[NH3+])cn2n1 74341426 343572558 /nfs/dbraw/zinc/57/25/58/343572558.db2.gz GPISNHXVZGEQCC-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 ACAARO CC(C)([NH3+])[C@@H](O)C(F)(F)F 74342382 343572666 /nfs/dbraw/zinc/57/26/66/343572666.db2.gz NJBGWLOACYNJPC-GSVOUGTGSA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO CC(C)([NH3+])[C@H](O)C(F)(F)F 74342381 343572787 /nfs/dbraw/zinc/57/27/87/343572787.db2.gz NJBGWLOACYNJPC-VKHMYHEASA-N 1 0 157.135 0.647 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCC[C@@H]1C(N)=O 74934377 343574750 /nfs/dbraw/zinc/57/47/50/343574750.db2.gz HRJKYJQVBJYEBH-SSDOTTSWSA-N 1 0 156.229 0.345 50 0 ACAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH3+] 74941854 343574855 /nfs/dbraw/zinc/57/48/55/343574855.db2.gz QKXUJCFQMFMUBY-CBAPKCEASA-N 1 0 182.267 0.592 50 0 ACAARO CN(C)CC1([NH3+])CC1 74934389 343574888 /nfs/dbraw/zinc/57/48/88/343574888.db2.gz ROVFTSSCUXGEQX-UHFFFAOYSA-N 1 0 114.192 0.039 50 0 in-vitro ACAARO CC1(C2CC[NH2+]CC2)OCCO1 74941758 343574938 /nfs/dbraw/zinc/57/49/38/343574938.db2.gz DHSXJWZLDRBDCM-UHFFFAOYSA-N 1 0 171.240 0.749 50 0 in-vitro ACAARO CCc1nc2n(n1)CCC[C@H]2[NH3+] 74941688 343574961 /nfs/dbraw/zinc/57/49/61/343574961.db2.gz YURCFQNMXAHZRU-ZCFIWIBFSA-N 1 0 166.228 0.634 50 0 in-vitro ACAARO CCn1nccc1C[C@H](C)[NH3+] 74941324 343574979 /nfs/dbraw/zinc/57/49/79/343574979.db2.gz YFECFVSHIOZYME-ZETCQYMHSA-N 1 0 153.229 0.793 50 0 ACAARO Cc1nn2c(CC[NH3+])cnc2s1 74941346 343575023 /nfs/dbraw/zinc/57/50/23/343575023.db2.gz MYNAAXIIYXUNBR-UHFFFAOYSA-N 1 0 182.252 0.600 50 0 ACAARO C[C@H]1C[NH2+]C[C@H]1N(C)C 74941773 343575033 /nfs/dbraw/zinc/57/50/33/343575033.db2.gz WPWPUGYLNCMHFP-NKWVEPMBSA-N 1 0 128.219 0.156 50 0 in-vitro ACAARO CCc1nc2n(n1)CCC[C@@H]2[NH3+] 74941686 343575035 /nfs/dbraw/zinc/57/50/35/343575035.db2.gz YURCFQNMXAHZRU-LURJTMIESA-N 1 0 166.228 0.634 50 0 in-vitro ACAARO CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 74942755 343575158 /nfs/dbraw/zinc/57/51/58/343575158.db2.gz FTXFVAJXLNRRQU-JGVFFNPUSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 74942752 343575529 /nfs/dbraw/zinc/57/55/29/343575529.db2.gz FTXFVAJXLNRRQU-HTQZYQBOSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 74942751 343575573 /nfs/dbraw/zinc/57/55/73/343575573.db2.gz FTXFVAJXLNRRQU-SFYZADRCSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO Cc1cncnc1O[C@H]1CCC[NH2+]C1 75121011 343575945 /nfs/dbraw/zinc/57/59/45/343575945.db2.gz UXJSYVLSOAYLCH-VIFPVBQESA-N 1 0 193.250 0.916 50 0 ACAARO Cc1cncnc1O[C@@H]1CCC[NH2+]C1 75121009 343576211 /nfs/dbraw/zinc/57/62/11/343576211.db2.gz UXJSYVLSOAYLCH-SECBINFHSA-N 1 0 193.250 0.916 50 0 ACAARO C[C@H]([NH3+])C[C@@H](C)O 75517375 343576707 /nfs/dbraw/zinc/57/67/07/343576707.db2.gz RTFVYTOTESLFBG-CRCLSJGQSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO C[C@H]([NH3+])C[C@H](C)O 75517379 343576762 /nfs/dbraw/zinc/57/67/62/343576762.db2.gz RTFVYTOTESLFBG-WHFBIAKZSA-N 1 0 103.165 0.105 50 0 in-vitro ACAARO CC1=CCN(CC[NH3+])CC1 75423237 343576811 /nfs/dbraw/zinc/57/68/11/343576811.db2.gz OURDMWNUZXZQSJ-UHFFFAOYSA-N 1 0 140.230 0.597 50 0 in-vitro ACAARO Cc1cc(C[NH3+])ccc1S(C)(=O)=O 75772137 343578061 /nfs/dbraw/zinc/57/80/61/343578061.db2.gz XFGZTRLOUKGEBC-UHFFFAOYSA-N 1 0 199.275 0.857 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H](C(F)(F)F)O1 75767007 343578260 /nfs/dbraw/zinc/57/82/60/343578260.db2.gz BPVZRPRBZRIGRK-WHFBIAKZSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](C(F)(F)F)O1 75767004 343578363 /nfs/dbraw/zinc/57/83/63/343578363.db2.gz BPVZRPRBZRIGRK-CRCLSJGQSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO C[NH2+]C1CCC(CO)CC1 75611720 343578374 /nfs/dbraw/zinc/57/83/74/343578374.db2.gz KSQLUMZKNADAFH-UHFFFAOYSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[C@](O)(C(N)=[NH2+])c1ccccc1 75855848 343579019 /nfs/dbraw/zinc/57/90/19/343579019.db2.gz ZVYWQFCGNWHABY-SECBINFHSA-N 1 0 164.208 0.830 50 0 in-vitro ACAARO C[C@]1([NH3+])CCOC1 76569997 343579284 /nfs/dbraw/zinc/57/92/84/343579284.db2.gz VSAPWIUQDZKEBG-YFKPBYRVSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]CC[C@H]1O 76572464 343579323 /nfs/dbraw/zinc/57/93/23/343579323.db2.gz JKGYQDRFCVQWHQ-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@@]1([NH3+])CCOC1 76570004 343579328 /nfs/dbraw/zinc/57/93/28/343579328.db2.gz VSAPWIUQDZKEBG-RXMQYKEDSA-N 1 0 101.149 0.124 50 0 in-vitro ACAARO C[C@H]1C[C@@](C)([NH3+])CCO1 76572324 343579340 /nfs/dbraw/zinc/57/93/40/343579340.db2.gz BQTOQUPSHAAGQU-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 ACAARO C[C@H]1C[NH2+]CCC[C@H]1O 76572443 343579362 /nfs/dbraw/zinc/57/93/62/343579362.db2.gz NARICJFPDYCNRD-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO Cc1[nH]c2c([nH+]1)C[C@H](O)CC2 76089131 343579375 /nfs/dbraw/zinc/57/93/75/343579375.db2.gz XTTARHVPODFWRD-ZCFIWIBFSA-N 1 0 152.197 0.568 50 0 ACAARO C[C@H]1CC[NH2+]CCC1=O 76571782 343579393 /nfs/dbraw/zinc/57/93/93/343579393.db2.gz IEUKKRQMRVLHEH-LURJTMIESA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO Cc1[nH]c2c([nH+]1)C[C@@H](O)CC2 76089135 343579411 /nfs/dbraw/zinc/57/94/11/343579411.db2.gz XTTARHVPODFWRD-LURJTMIESA-N 1 0 152.197 0.568 50 0 ACAARO C[C@H]1C[C@](C)([NH3+])CCO1 76572334 343579432 /nfs/dbraw/zinc/57/94/32/343579432.db2.gz BQTOQUPSHAAGQU-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 ACAARO CC[C@H]1COC[C@H]1[NH3+] 76570588 343579446 /nfs/dbraw/zinc/57/94/46/343579446.db2.gz FYFCHPORKPFYBU-NTSWFWBYSA-N 1 0 115.176 0.370 50 0 ACAARO C[C@H]1C[NH2+]CCC[C@@H]1O 76572435 343579552 /nfs/dbraw/zinc/57/95/52/343579552.db2.gz NARICJFPDYCNRD-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO Cc1cnc(CC[NH3+])nc1C 76589241 343579559 /nfs/dbraw/zinc/57/95/59/343579559.db2.gz LTWYZYKSQWOKKG-UHFFFAOYSA-N 1 0 151.213 0.595 50 0 ACAARO C[C@H]1CC[NH2+]CC[C@@H]1O 76572455 343579584 /nfs/dbraw/zinc/57/95/84/343579584.db2.gz JKGYQDRFCVQWHQ-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H]1C[NH2+]CCCC1=O 76571773 343579613 /nfs/dbraw/zinc/57/96/13/343579613.db2.gz ITSNSGVYIGJVRI-LURJTMIESA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO C[C@H]1CN[C@H](C(F)(F)F)C[NH2+]1 77011970 343580011 /nfs/dbraw/zinc/58/00/11/343580011.db2.gz XXGGQLZIMGIVTM-WHFBIAKZSA-N 1 0 168.162 0.499 50 0 in-vitro ACAARO Cc1cncnc1O[C@@H]1CC[NH2+]C1 76603312 343580134 /nfs/dbraw/zinc/58/01/34/343580134.db2.gz QJEGLZFNCKUYDL-MRVPVSSYSA-N 1 0 179.223 0.526 50 0 ACAARO CC1(C[NH3+])CSC1 77011049 343580139 /nfs/dbraw/zinc/58/01/39/343580139.db2.gz ACIIRSPQXCPSAH-UHFFFAOYSA-N 1 0 117.217 0.698 50 0 ACAARO Cc1cc(N2CCC([NH3+])CC2)n[nH]1 76604455 343580145 /nfs/dbraw/zinc/58/01/45/343580145.db2.gz HQGTWFNPNNGMJL-UHFFFAOYSA-N 1 0 180.255 0.646 50 0 in-vitro ACAARO C[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 76591011 343580160 /nfs/dbraw/zinc/58/01/60/343580160.db2.gz PKBWQDVUWRDPSL-YIZRAAEISA-N 1 0 155.241 0.709 50 0 ACAARO C[C@H]1CN[C@@H](C(F)(F)F)C[NH2+]1 77011975 343580186 /nfs/dbraw/zinc/58/01/86/343580186.db2.gz XXGGQLZIMGIVTM-CRCLSJGQSA-N 1 0 168.162 0.499 50 0 in-vitro ACAARO Cc1ncc([C@@H](C)[NH3+])cn1 77303287 343581038 /nfs/dbraw/zinc/58/10/38/343581038.db2.gz SIJDBWQOOLPSIM-RXMQYKEDSA-N 1 0 137.186 0.805 50 0 in-vitro ACAARO Cc1ncc([C@H](C)[NH3+])cn1 77303294 343581099 /nfs/dbraw/zinc/58/10/99/343581099.db2.gz SIJDBWQOOLPSIM-YFKPBYRVSA-N 1 0 137.186 0.805 50 0 in-vitro ACAARO CC(C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 77439422 343581175 /nfs/dbraw/zinc/58/11/75/343581175.db2.gz NDYCOZOMJNUSQA-BDAKNGLRSA-N 1 0 197.282 0.398 50 0 ACAARO CN1CCC[C@H]2C[NH2+]C[C@H]21 78131120 343581616 /nfs/dbraw/zinc/58/16/16/343581616.db2.gz QVLUVOZDWSAEIP-JGVFFNPUSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 78009893 343581853 /nfs/dbraw/zinc/58/18/53/343581853.db2.gz LGNJUPFFTXYXON-RNJXMRFFSA-N 1 0 168.240 0.392 50 0 in-vitro ACAARO CCn1c(C2CC[NH2+]CC2)n[nH]c1=O 78210646 343582202 /nfs/dbraw/zinc/58/22/02/343582202.db2.gz HVHFRUYINDFJBR-UHFFFAOYSA-N 1 0 196.254 0.058 50 0 in-vitro ACAARO C[C@H]([NH3+])c1nnc2n1CCCC2 78210804 343582206 /nfs/dbraw/zinc/58/22/06/343582206.db2.gz UZBROTQFSPKCTC-LURJTMIESA-N 1 0 166.228 0.634 50 0 in-vitro ACAARO CCc1n[nH]c(=O)c(C[NH3+])c1CC 78210659 343582285 /nfs/dbraw/zinc/58/22/85/343582285.db2.gz GXYDRMDRTXLIHI-UHFFFAOYSA-N 1 0 181.239 0.353 50 0 in-vitro ACAARO C[C@H](CC[NH3+])[S@@](C)=O 78210798 343582305 /nfs/dbraw/zinc/58/23/05/343582305.db2.gz ZFDQZKLMDYFXPU-XRGYYRRGSA-N 1 0 135.232 0.102 50 0 in-vitro ACAARO C[C@H](CC[NH3+])[S@](C)=O 78210796 343582339 /nfs/dbraw/zinc/58/23/39/343582339.db2.gz ZFDQZKLMDYFXPU-SVGQVSJJSA-N 1 0 135.232 0.102 50 0 in-vitro ACAARO CC[C@]1(CO)CC[NH2+]C1 78676082 343583807 /nfs/dbraw/zinc/58/38/07/343583807.db2.gz OZUSJCOWXGDRAT-ZETCQYMHSA-N 1 0 129.203 0.368 50 0 ACAARO CN(C)C(=O)N1CCC[C@@H]([NH3+])C1 78677383 343583820 /nfs/dbraw/zinc/58/38/20/343583820.db2.gz ZSKQKQLNOZOOFP-SSDOTTSWSA-N 1 0 171.244 0.091 50 0 in-vitro ACAARO CC[C@@]1(CO)CC[NH2+]C1 78676085 343583850 /nfs/dbraw/zinc/58/38/50/343583850.db2.gz OZUSJCOWXGDRAT-SSDOTTSWSA-N 1 0 129.203 0.368 50 0 ACAARO CCC1C[NH2+]C1 78730554 343584406 /nfs/dbraw/zinc/58/44/06/343584406.db2.gz YEJFTVJRCUPIOV-UHFFFAOYSA-N 1 0 85.150 0.616 50 0 ACAARO CC[C@@](C)(C[NH3+])CO 78724437 343584508 /nfs/dbraw/zinc/58/45/08/343584508.db2.gz RYZLYDKGAAOFHY-LURJTMIESA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO CC[C@](C)(C[NH3+])CO 78724439 343584637 /nfs/dbraw/zinc/58/46/37/343584637.db2.gz RYZLYDKGAAOFHY-ZCFIWIBFSA-N 1 0 117.192 0.354 50 0 in-vitro ACAARO CC[C@@H]([NH3+])C(OC)OC 78724274 343584673 /nfs/dbraw/zinc/58/46/73/343584673.db2.gz GFUOIQFPJDKRCI-RXMQYKEDSA-N 1 0 133.191 0.343 50 0 in-vitro ACAARO CC[C@H]([NH3+])C(OC)OC 78724272 343584709 /nfs/dbraw/zinc/58/47/09/343584709.db2.gz GFUOIQFPJDKRCI-YFKPBYRVSA-N 1 0 133.191 0.343 50 0 in-vitro ACAARO C[C@H](O)CC[NH2+]Cc1cnn(C)c1 78781733 343585184 /nfs/dbraw/zinc/58/51/84/343585184.db2.gz BMZSHCJGZXDYHY-QMMMGPOBSA-N 1 0 183.255 0.281 50 0 ACAARO Cc1cnc(CN(C)[C@@H]2CC[NH2+]C2)o1 78878684 343585582 /nfs/dbraw/zinc/58/55/82/343585582.db2.gz JOYVKSVKGVYZCF-SECBINFHSA-N 1 0 195.266 0.777 50 0 in-vitro ACAARO Cc1noc(C2(N)CC2)n1 79387574 343587122 /nfs/dbraw/zinc/58/71/22/343587122.db2.gz FMHSWVAWPDYUJH-UHFFFAOYSA-N 1 0 139.158 0.326 50 0 ACAARO CN1CCC[C@H]2[NH2+]CCC[C@@H]21 79792732 343589679 /nfs/dbraw/zinc/58/96/79/343589679.db2.gz TYDLYZLEIVJSSX-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 ACAARO CN1CCC[C@@H]2[NH2+]CCC[C@@H]21 79792735 343589979 /nfs/dbraw/zinc/58/99/79/343589979.db2.gz TYDLYZLEIVJSSX-IUCAKERBSA-N 1 0 154.257 0.833 50 0 ACAARO C[N@@H+]1CC[C@@H](CCO)C1 81914588 343594612 /nfs/dbraw/zinc/59/46/12/343594612.db2.gz HRVHWDLLWKMHNT-ZETCQYMHSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@H]1N1CCOCC1 82160273 343595434 /nfs/dbraw/zinc/59/54/34/343595434.db2.gz CPTMQDCFEIDJGV-NXEZZACHSA-N 1 0 184.283 0.317 50 0 ACAARO CC[C@H](C)[C@H]([NH3+])C(N)=O 82077250 343595533 /nfs/dbraw/zinc/59/55/33/343595533.db2.gz JDAMFKGXSUOWBV-WHFBIAKZSA-N 1 0 130.191 0.895 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@@H]1N1CCOCC1 82160270 343595578 /nfs/dbraw/zinc/59/55/78/343595578.db2.gz CPTMQDCFEIDJGV-ZJUUUORDSA-N 1 0 184.283 0.317 50 0 ACAARO CC[C@H]1C[NH2+]C[C@@H]1N1CCOCC1 82160272 343595593 /nfs/dbraw/zinc/59/55/93/343595593.db2.gz CPTMQDCFEIDJGV-UWVGGRQHSA-N 1 0 184.283 0.317 50 0 ACAARO CC[C@H]1C[NH2+]CC12OCCO2 82163922 343595613 /nfs/dbraw/zinc/59/56/13/343595613.db2.gz WAOSQYAZHHWOTE-ZETCQYMHSA-N 1 0 157.213 0.359 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@H]1N1CCOCC1 82160275 343595636 /nfs/dbraw/zinc/59/56/36/343595636.db2.gz CPTMQDCFEIDJGV-VHSXEESVSA-N 1 0 184.283 0.317 50 0 ACAARO CCC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 82164738 343595858 /nfs/dbraw/zinc/59/58/58/343595858.db2.gz HYMWTTBEDLJRDM-IUCAKERBSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)[NH+]1CCC(NC=O)CC1 82164099 343595880 /nfs/dbraw/zinc/59/58/80/343595880.db2.gz LIBJFOQNOHFBOH-UHFFFAOYSA-N 1 0 170.256 0.605 50 0 ACAARO C[C@H]1CC[C@H](CO)C[NH2+]1 82164206 343595884 /nfs/dbraw/zinc/59/58/84/343595884.db2.gz FMYGWFUUVQICDN-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@H]1CCC[NH2+][C@@H]1CO 82164407 343595898 /nfs/dbraw/zinc/59/58/98/343595898.db2.gz SHIBACMNDDHGAQ-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@H]1CCC[NH2+][C@H]1CO 82164412 343595952 /nfs/dbraw/zinc/59/59/52/343595952.db2.gz SHIBACMNDDHGAQ-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@H]1CC[C@@H](CO)C[NH2+]1 82164207 343595992 /nfs/dbraw/zinc/59/59/92/343595992.db2.gz FMYGWFUUVQICDN-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@H]([NH3+])C1(C)OCCO1 82164064 343596016 /nfs/dbraw/zinc/59/60/16/343596016.db2.gz IXDJNJHGOQUYCG-YFKPBYRVSA-N 1 0 131.175 0.097 50 0 in-vitro ACAARO CCC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 82164741 343596048 /nfs/dbraw/zinc/59/60/48/343596048.db2.gz HYMWTTBEDLJRDM-DTWKUNHWSA-N 1 0 184.283 0.982 50 0 ACAARO CC1(OCC[NH3+])CCC1 82164392 343596056 /nfs/dbraw/zinc/59/60/56/343596056.db2.gz GNIBDNSERLDFMB-UHFFFAOYSA-N 1 0 129.203 0.904 50 0 in-vitro ACAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH3+] 82164647 343596111 /nfs/dbraw/zinc/59/61/11/343596111.db2.gz FQPREEGHKKSYCL-SCZZXKLOSA-N 1 0 196.294 0.982 50 0 in-vitro ACAARO Cc1cncn1CCC[NH3+] 82164129 343596128 /nfs/dbraw/zinc/59/61/28/343596128.db2.gz ORGYIMPJXDYEJQ-UHFFFAOYSA-N 1 0 139.202 0.540 50 0 in-vitro ACAARO CCC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 82164736 343596139 /nfs/dbraw/zinc/59/61/39/343596139.db2.gz HYMWTTBEDLJRDM-BDAKNGLRSA-N 1 0 184.283 0.982 50 0 ACAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH3+] 82164654 343596144 /nfs/dbraw/zinc/59/61/44/343596144.db2.gz FQPREEGHKKSYCL-WCBMZHEXSA-N 1 0 196.294 0.982 50 0 in-vitro ACAARO CC(C)NC(=O)[C@H]1CCC[N@H+](C)C1 82298807 343597856 /nfs/dbraw/zinc/59/78/56/343597856.db2.gz CXNLLCQUPVKEBU-VIFPVBQESA-N 1 0 184.283 0.853 50 0 ACAARO CC(C)NC(=O)[C@@H]1CCC[N@H+](C)C1 82298805 343598041 /nfs/dbraw/zinc/59/80/41/343598041.db2.gz CXNLLCQUPVKEBU-SECBINFHSA-N 1 0 184.283 0.853 50 0 ACAARO C[C@H]1[C@@H]([NH3+])CN1C(=O)OC(C)(C)C 82392158 343600059 /nfs/dbraw/zinc/60/00/59/343600059.db2.gz KMNTYEYDNBONGP-BQBZGAKWSA-N 1 0 186.255 0.953 50 0 in-vitro ACAARO C[C@H]1[C@H]([NH3+])CN1C(=O)OC(C)(C)C 82392156 343600196 /nfs/dbraw/zinc/60/01/96/343600196.db2.gz KMNTYEYDNBONGP-NKWVEPMBSA-N 1 0 186.255 0.953 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@H](C(F)(F)F)N1C 82395420 343600827 /nfs/dbraw/zinc/60/08/27/343600827.db2.gz XEFMLFFPIDIMHK-WDSKDSINSA-N 1 0 182.189 0.841 50 0 ACAARO C[C@H]1C[NH2+]C[C@H](C(F)(F)F)N1C 82395418 343600845 /nfs/dbraw/zinc/60/08/45/343600845.db2.gz XEFMLFFPIDIMHK-NTSWFWBYSA-N 1 0 182.189 0.841 50 0 ACAARO Cc1nc(C2CC[NH2+]CC2)nn1C 82396321 343600875 /nfs/dbraw/zinc/60/08/75/343600875.db2.gz SQVBFRUEOBQTRS-UHFFFAOYSA-N 1 0 180.255 0.591 50 0 ACAARO Cc1c[nH]nc1[C@@H]1C[NH2+]CCO1 82402493 343601124 /nfs/dbraw/zinc/60/11/24/343601124.db2.gz OQZKZFAZBPHFOE-ZETCQYMHSA-N 1 0 167.212 0.379 50 0 in-vitro ACAARO Cc1c[nH]nc1[C@H]1C[NH2+]CCO1 82402494 343601157 /nfs/dbraw/zinc/60/11/57/343601157.db2.gz OQZKZFAZBPHFOE-SSDOTTSWSA-N 1 0 167.212 0.379 50 0 in-vitro ACAARO CN1CCC[C@@]12CCC[NH2+]C2 82406864 343601664 /nfs/dbraw/zinc/60/16/64/343601664.db2.gz FOUJBNXTNMXZIX-SECBINFHSA-N 1 0 154.257 0.834 50 0 ACAARO CC1(C)CNC(=O)C(C)(C)[NH2+]1 82406265 343601776 /nfs/dbraw/zinc/60/17/76/343601776.db2.gz HNTWDNMNGNBFEA-UHFFFAOYSA-N 1 0 156.229 0.263 50 0 in-vitro ACAARO CC1(C)C[NH2+]CCC1=O 82411297 343602976 /nfs/dbraw/zinc/60/29/76/343602976.db2.gz KXBPUMSPCLLXRZ-UHFFFAOYSA-N 1 0 127.187 0.575 50 0 in-vitro ACAARO CN1CC[C@@H]2CC[NH2+]C[C@H]21 82410150 343602243 /nfs/dbraw/zinc/60/22/43/343602243.db2.gz DGKKRYRUSCGLGJ-JGVFFNPUSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO Cc1nc2c([nH]1)C[C@H]([NH3+])CC2 82407965 343602289 /nfs/dbraw/zinc/60/22/89/343602289.db2.gz JGCNHPQMPGHGHT-ZCFIWIBFSA-N 1 0 151.213 0.534 50 0 in-vitro ACAARO CN1CC[C@H]2CC[NH2+][C@@H]2C1 82410149 343602387 /nfs/dbraw/zinc/60/23/87/343602387.db2.gz FLMMACLWTFUFRQ-HTQZYQBOSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO CN1CCC[C@]12CCC[NH2+]C2 82406865 343602446 /nfs/dbraw/zinc/60/24/46/343602446.db2.gz FOUJBNXTNMXZIX-VIFPVBQESA-N 1 0 154.257 0.834 50 0 ACAARO CN1CCC[C@@H]2[NH2+]CC[C@@H]21 82410168 343602549 /nfs/dbraw/zinc/60/25/49/343602549.db2.gz UVIBURNTGPPPMV-YUMQZZPRSA-N 1 0 140.230 0.443 50 0 ACAARO Cc1nn(C)c2c1CC[NH2+]C2 82407971 343602562 /nfs/dbraw/zinc/60/25/62/343602562.db2.gz HNBHVZUDKSBQAR-UHFFFAOYSA-N 1 0 151.213 0.374 50 0 ACAARO CC1(C)CC[C@@H](O)[C@H]([NH3+])C1 82409420 343602591 /nfs/dbraw/zinc/60/25/91/343602591.db2.gz JWOAXHVWBQPKKV-RNFRBKRXSA-N 1 0 143.230 0.885 50 0 ACAARO Cc1nc2c([nH]1)C[C@@H]([NH3+])CC2 82407966 343602672 /nfs/dbraw/zinc/60/26/72/343602672.db2.gz JGCNHPQMPGHGHT-LURJTMIESA-N 1 0 151.213 0.534 50 0 in-vitro ACAARO C[C@H]1COCC[C@H]1[NH3+] 82411737 343602827 /nfs/dbraw/zinc/60/28/27/343602827.db2.gz WFVKNHIDEGYGPD-NTSWFWBYSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO CC1(C)[NH2+]CCC1=O 82411791 343602871 /nfs/dbraw/zinc/60/28/71/343602871.db2.gz YFFJIYOTKSKXLV-UHFFFAOYSA-N 1 0 113.160 0.327 50 0 ACAARO CC(C)C[C@H]([NH3+])CCO 82411028 343602875 /nfs/dbraw/zinc/60/28/75/343602875.db2.gz ISULOSAJSWGBQR-SSDOTTSWSA-N 1 0 131.219 0.742 50 0 ACAARO CC(C)[C@@H]1[NH2+]CC[C@@H]1O 82411134 343602892 /nfs/dbraw/zinc/60/28/92/343602892.db2.gz WNZTWIKITBBRJT-BQBZGAKWSA-N 1 0 129.203 0.365 50 0 ACAARO C[C@H]([NH3+])c1cn(C)cn1 82411445 343602908 /nfs/dbraw/zinc/60/29/08/343602908.db2.gz ICKXLSHRBIKQFM-YFKPBYRVSA-N 1 0 125.175 0.440 50 0 ACAARO C[C@H]1CSC[C@H]1[NH3+] 82411684 343602918 /nfs/dbraw/zinc/60/29/18/343602918.db2.gz KIMYQDGXIBABDJ-CRCLSJGQSA-N 1 0 117.217 0.697 50 0 in-vitro ACAARO CC[C@H]1[NH2+]CC[C@H]1O 82411723 343602928 /nfs/dbraw/zinc/60/29/28/343602928.db2.gz IPDNGVSSCFCHRJ-PHDIDXHHSA-N 1 0 115.176 0.119 50 0 ACAARO CC[C@@](C)(O)CC[NH3+] 82411694 343602930 /nfs/dbraw/zinc/60/29/30/343602930.db2.gz SRGNXDJXTPZYRH-ZCFIWIBFSA-N 1 0 117.192 0.496 50 0 in-vitro ACAARO Cc1nccc([C@@H](C)[NH3+])n1 82410785 343602948 /nfs/dbraw/zinc/60/29/48/343602948.db2.gz PVQOVOHQLRIHEA-RXMQYKEDSA-N 1 0 137.186 0.805 50 0 in-vitro ACAARO Cc1cnc(CC[NH3+])cn1 82410761 343603005 /nfs/dbraw/zinc/60/30/05/343603005.db2.gz ZSJYNCBJCXFJFV-UHFFFAOYSA-N 1 0 137.186 0.286 50 0 in-vitro ACAARO CC[C@H]([NH3+])c1ccn(C)n1 82410427 343603037 /nfs/dbraw/zinc/60/30/37/343603037.db2.gz PYYIDDAEMNSXFF-LURJTMIESA-N 1 0 139.202 0.830 50 0 ACAARO C[C@H]([NH3+])c1cc(=O)[nH][nH]1 82411321 343603056 /nfs/dbraw/zinc/60/30/56/343603056.db2.gz WIMQLASIBZZYEZ-VKHMYHEASA-N 1 0 127.147 0.135 50 0 ACAARO C[C@H]1COCC[C@@H]1[NH3+] 82411735 343603083 /nfs/dbraw/zinc/60/30/83/343603083.db2.gz WFVKNHIDEGYGPD-WDSKDSINSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H]1CCCOC1 82411113 343603105 /nfs/dbraw/zinc/60/31/05/343603105.db2.gz VDAAJZJRNPGVNB-NKWVEPMBSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO CN1CCC[C@](C)([NH3+])C1 82411202 343603155 /nfs/dbraw/zinc/60/31/55/343603155.db2.gz FVFCKCLPXCXQNS-ZETCQYMHSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO CC1(C)CC(=O)CC[NH2+]1 82411300 343603160 /nfs/dbraw/zinc/60/31/60/343603160.db2.gz NPANULWSOUGZFU-UHFFFAOYSA-N 1 0 127.187 0.718 50 0 in-vitro ACAARO CCn1c[nH+]cc1N 82411831 343603165 /nfs/dbraw/zinc/60/31/65/343603165.db2.gz FRGOABOETDHPKC-UHFFFAOYSA-N 1 0 111.148 0.485 50 0 ACAARO CC[C@H]1[NH2+]CC[C@@H]1O 82411724 343603169 /nfs/dbraw/zinc/60/31/69/343603169.db2.gz IPDNGVSSCFCHRJ-RITPCOANSA-N 1 0 115.176 0.119 50 0 ACAARO CC[C@@H]([NH3+])c1ccn(C)n1 82410428 343603171 /nfs/dbraw/zinc/60/31/71/343603171.db2.gz PYYIDDAEMNSXFF-ZCFIWIBFSA-N 1 0 139.202 0.830 50 0 ACAARO C[C@H]1[C@@H]([NH3+])CCCN1C 82411200 343603173 /nfs/dbraw/zinc/60/31/73/343603173.db2.gz OGWCETMUBQTQMT-BQBZGAKWSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO CC1(C)[NH2+]CC[C@H]1O 82411721 343603186 /nfs/dbraw/zinc/60/31/86/343603186.db2.gz JDZXBVUTOWDOLV-RXMQYKEDSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO C[C@H]1C[C@H]([NH3+])CS1 82411686 343603188 /nfs/dbraw/zinc/60/31/88/343603188.db2.gz DEBGAXRZVZMWSF-WHFBIAKZSA-N 1 0 117.217 0.839 50 0 ACAARO Cc1c[nH]c(C(C)(C)[NH3+])n1 82410450 343603190 /nfs/dbraw/zinc/60/31/90/343603190.db2.gz VEXJYFSHOQIULY-UHFFFAOYSA-N 1 0 139.202 0.912 50 0 ACAARO CN1CCC[C@@](C)([NH3+])C1 82411203 343603195 /nfs/dbraw/zinc/60/31/95/343603195.db2.gz FVFCKCLPXCXQNS-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO C[C@H]1[C@H]([NH3+])CCCN1C 82411198 343603201 /nfs/dbraw/zinc/60/32/01/343603201.db2.gz OGWCETMUBQTQMT-NKWVEPMBSA-N 1 0 128.219 0.428 50 0 in-vitro ACAARO Cc1nccnc1CC[NH3+] 82410759 343603223 /nfs/dbraw/zinc/60/32/23/343603223.db2.gz OTHSGCGIKIWAJC-UHFFFAOYSA-N 1 0 137.186 0.286 50 0 ACAARO CC(C)[C@@H]1[NH2+]CC[C@H]1O 82411133 343603228 /nfs/dbraw/zinc/60/32/28/343603228.db2.gz WNZTWIKITBBRJT-RQJHMYQMSA-N 1 0 129.203 0.365 50 0 ACAARO C[C@H]([NH3+])[C@H]1CCCOC1 82411115 343603242 /nfs/dbraw/zinc/60/32/42/343603242.db2.gz VDAAJZJRNPGVNB-BQBZGAKWSA-N 1 0 129.203 0.760 50 0 in-vitro ACAARO Cc1nccc([C@H](C)[NH3+])n1 82410786 343603258 /nfs/dbraw/zinc/60/32/58/343603258.db2.gz PVQOVOHQLRIHEA-YFKPBYRVSA-N 1 0 137.186 0.805 50 0 in-vitro ACAARO C[C@H]1CSC[C@@H]1[NH3+] 82411682 343603266 /nfs/dbraw/zinc/60/32/66/343603266.db2.gz KIMYQDGXIBABDJ-WHFBIAKZSA-N 1 0 117.217 0.697 50 0 in-vitro ACAARO CC1(C)[NH2+]CC[C@@H]1O 82411722 343603283 /nfs/dbraw/zinc/60/32/83/343603283.db2.gz JDZXBVUTOWDOLV-YFKPBYRVSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO CC[C@@H]1CN(C)CC[NH2+]1 82411193 343603287 /nfs/dbraw/zinc/60/32/87/343603287.db2.gz KZKZKKVCUTUIPF-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO C[C@H]1C[C@@H]([NH3+])CS1 82411688 343603295 /nfs/dbraw/zinc/60/32/95/343603295.db2.gz DEBGAXRZVZMWSF-CRCLSJGQSA-N 1 0 117.217 0.839 50 0 ACAARO CC[C@H]1CN(C)CC[NH2+]1 82411194 343603307 /nfs/dbraw/zinc/60/33/07/343603307.db2.gz KZKZKKVCUTUIPF-ZETCQYMHSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO Cc1ccc([C@@]2(O)CC[NH2+]C2)cn1 82462501 343604220 /nfs/dbraw/zinc/60/42/20/343604220.db2.gz YIVZEGNHWPSXBZ-SNVBAGLBSA-N 1 0 178.235 0.571 50 0 ACAARO CC(C)[C@]1(O)CCC[NH2+]C1 82462216 343604260 /nfs/dbraw/zinc/60/42/60/343604260.db2.gz VCEXLAUZOSTXSQ-QMMMGPOBSA-N 1 0 143.230 0.757 50 0 ACAARO CN1CCO[C@H](C[NH2+]CC2CC2)C1 82432898 343604326 /nfs/dbraw/zinc/60/43/26/343604326.db2.gz LQWALWQRJAREFA-SNVBAGLBSA-N 1 0 184.283 0.317 50 0 ACAARO CC(C)[C@@]1(O)CCC[NH2+]C1 82462218 343604379 /nfs/dbraw/zinc/60/43/79/343604379.db2.gz VCEXLAUZOSTXSQ-MRVPVSSYSA-N 1 0 143.230 0.757 50 0 ACAARO Cc1nnc([C@@H](C)[NH3+])s1 82522345 343605746 /nfs/dbraw/zinc/60/57/46/343605746.db2.gz LLJVSWLXTLQUJE-GSVOUGTGSA-N 1 0 143.215 0.866 50 0 in-vitro ACAARO O[C@@H]1C[NH2+]C[C@@H]1N1CCCCCC1 82524060 343605806 /nfs/dbraw/zinc/60/58/06/343605806.db2.gz WXOZYPXAYQJWGV-VHSXEESVSA-N 1 0 184.283 0.195 50 0 ACAARO CC1CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 82524038 343605815 /nfs/dbraw/zinc/60/58/15/343605815.db2.gz XMWNNWUOGTYCSF-NXEZZACHSA-N 1 0 184.283 0.051 50 0 ACAARO Cc1nnc([C@H](C)[NH3+])s1 82522346 343605820 /nfs/dbraw/zinc/60/58/20/343605820.db2.gz LLJVSWLXTLQUJE-VKHMYHEASA-N 1 0 143.215 0.866 50 0 in-vitro ACAARO CC1CCN([C@H]2C[NH2+]C[C@H]2O)CC1 82524039 343605872 /nfs/dbraw/zinc/60/58/72/343605872.db2.gz XMWNNWUOGTYCSF-VHSXEESVSA-N 1 0 184.283 0.051 50 0 ACAARO O[C@H]1C[NH2+]C[C@@H]1N1CCCCCC1 82524058 343605906 /nfs/dbraw/zinc/60/59/06/343605906.db2.gz WXOZYPXAYQJWGV-UWVGGRQHSA-N 1 0 184.283 0.195 50 0 ACAARO CCn1cnc(C[NH3+])c1 82522248 343605917 /nfs/dbraw/zinc/60/59/17/343605917.db2.gz DQCATUYBSDRAKY-UHFFFAOYSA-N 1 0 125.175 0.362 50 0 ACAARO O[C@H]1C[NH2+]C[C@H]1N1CCCCCC1 82524057 343605922 /nfs/dbraw/zinc/60/59/22/343605922.db2.gz WXOZYPXAYQJWGV-ZJUUUORDSA-N 1 0 184.283 0.195 50 0 ACAARO CC(C)Cn1cnc(C[NH3+])c1 82522470 343605923 /nfs/dbraw/zinc/60/59/23/343605923.db2.gz WKIYOFBHNXJICB-UHFFFAOYSA-N 1 0 153.229 0.998 50 0 ACAARO CC(C)n1cnc(C[NH3+])c1 82522313 343605972 /nfs/dbraw/zinc/60/59/72/343605972.db2.gz KOWMCNHQFPFVHI-UHFFFAOYSA-N 1 0 139.202 0.923 50 0 ACAARO O[C@@H]1C[NH2+]C[C@H]1N1CCCCCC1 82524059 343605979 /nfs/dbraw/zinc/60/59/79/343605979.db2.gz WXOZYPXAYQJWGV-NXEZZACHSA-N 1 0 184.283 0.195 50 0 ACAARO CN(CC[NH3+])C[C@@H]1CCCOC1 82544168 343606312 /nfs/dbraw/zinc/60/63/12/343606312.db2.gz CRADUACUUSULKX-VIFPVBQESA-N 1 0 172.272 0.304 50 0 ACAARO CN(CC[NH3+])C[C@H]1CCCOC1 82544169 343606400 /nfs/dbraw/zinc/60/64/00/343606400.db2.gz CRADUACUUSULKX-SECBINFHSA-N 1 0 172.272 0.304 50 0 ACAARO CN(CC1CCOCC1)C(N)=[NH2+] 82545705 343606432 /nfs/dbraw/zinc/60/64/32/343606432.db2.gz RWIDLQQDBOETQR-UHFFFAOYSA-N 1 0 171.244 0.238 50 0 ACAARO CN(C)C(=O)c1ccc(C[NH3+])cn1 82568840 343606989 /nfs/dbraw/zinc/60/69/89/343606989.db2.gz SXJGFOLVXPKWKE-UHFFFAOYSA-N 1 0 179.223 0.242 50 0 ACAARO Cc1nc(C)c(C[NH3+])o1 82631341 343608326 /nfs/dbraw/zinc/60/83/26/343608326.db2.gz MGLZYJZFWLCTPZ-UHFFFAOYSA-N 1 0 126.159 0.750 50 0 in-vitro ACAARO Cc1nc2n(c1C[NH3+])CCCC2 82632785 343608341 /nfs/dbraw/zinc/60/83/41/343608341.db2.gz RLEUFJPXWWWIEV-UHFFFAOYSA-N 1 0 165.240 0.987 50 0 ACAARO CNC(=O)N1CCCC[C@@H]1CC[NH3+] 82635754 343608443 /nfs/dbraw/zinc/60/84/43/343608443.db2.gz YUXCSYVSLQDZFB-MRVPVSSYSA-N 1 0 185.271 0.529 50 0 ACAARO CC(C)c1n[nH]cc1C[NH3+] 82631489 343608537 /nfs/dbraw/zinc/60/85/37/343608537.db2.gz SOMHWZAUGMPKMA-UHFFFAOYSA-N 1 0 139.202 0.992 50 0 ACAARO Cc1nnc2ccc(C[NH3+])cn12 82632559 343608585 /nfs/dbraw/zinc/60/85/85/343608585.db2.gz FRZLAMCVJQUZLE-UHFFFAOYSA-N 1 0 162.196 0.496 50 0 ACAARO C[NH+](C)C[C@@H](O)C(F)(F)F 82680066 343609752 /nfs/dbraw/zinc/60/97/52/343609752.db2.gz GXHSCUOHGRZZNX-SCSAIBSYSA-N 1 0 157.135 0.471 50 0 ACAARO C[NH+](C)C[C@H](O)C(F)(F)F 82680065 343609791 /nfs/dbraw/zinc/60/97/91/343609791.db2.gz GXHSCUOHGRZZNX-BYPYZUCNSA-N 1 0 157.135 0.471 50 0 ACAARO Cc1n[nH]cc1C[NH2+]CC(C)(C)O 82687375 343610129 /nfs/dbraw/zinc/61/01/29/343610129.db2.gz ZSOPFZLOYUJDFW-UHFFFAOYSA-N 1 0 183.255 0.579 50 0 ACAARO CN(C)c1cccc(N)[nH+]1 82707686 343610696 /nfs/dbraw/zinc/61/06/96/343610696.db2.gz QFUOHXVQTQKZRB-UHFFFAOYSA-N 1 0 137.186 0.730 50 0 in-vitro ACAARO CC1(C)CC[N@H+](CCN)C1 82707694 343610961 /nfs/dbraw/zinc/61/09/61/343610961.db2.gz UOLFIRYVZLZHDX-UHFFFAOYSA-N 1 0 142.246 0.677 50 0 ACAARO C[C@H]([NH3+])c1cc[nH]c(=O)c1 82707539 343611043 /nfs/dbraw/zinc/61/10/43/343611043.db2.gz MPKNKUUNOHHNJJ-YFKPBYRVSA-N 1 0 138.170 0.395 50 0 in-vitro ACAARO CNC(=O)c1c[nH+]ccc1N 82713322 343611519 /nfs/dbraw/zinc/61/15/19/343611519.db2.gz PBTGPEBCBFBUFK-UHFFFAOYSA-N 1 0 151.169 0.023 50 0 ACAARO CC[NH2+]CC(C)(C)CO 82707759 343611657 /nfs/dbraw/zinc/61/16/57/343611657.db2.gz NYKRAOGQZLDTTN-UHFFFAOYSA-N 1 0 131.219 0.614 50 0 ACAARO CCCS(=O)(=O)CCCCC[NH3+] 82790439 343612433 /nfs/dbraw/zinc/61/24/33/343612433.db2.gz NJUSTKLPXHYFGX-UHFFFAOYSA-N 1 0 193.312 0.940 50 0 ACAARO CCS(=O)(=O)CCCCC[NH3+] 82789949 343612445 /nfs/dbraw/zinc/61/24/45/343612445.db2.gz KGUCRTQFZWNHQA-UHFFFAOYSA-N 1 0 179.285 0.550 50 0 ACAARO C[C@H]1CC[NH2+]CCO1 82835622 343612994 /nfs/dbraw/zinc/61/29/94/343612994.db2.gz OHRBILWMOMYHED-LURJTMIESA-N 1 0 115.176 0.385 50 0 ACAARO CN1CC[C@@H]2CC[NH2+][C@@H]2C1 82838167 343613422 /nfs/dbraw/zinc/61/34/22/343613422.db2.gz FLMMACLWTFUFRQ-JGVFFNPUSA-N 1 0 140.230 0.300 50 0 in-vitro ACAARO Cc1ccc([C@H]([NH3+])CO)cn1 82841442 343613473 /nfs/dbraw/zinc/61/34/73/343613473.db2.gz UOABAZVGJCSWOV-MRVPVSSYSA-N 1 0 152.197 0.382 50 0 ACAARO CN1CC[NH2+]C[C@@H]1C(C)(C)C 82845673 343613553 /nfs/dbraw/zinc/61/35/53/343613553.db2.gz ZKUOKKDZVODPCK-MRVPVSSYSA-N 1 0 156.273 0.936 50 0 ACAARO Cc1nc2c(n1C)C[NH2+]CC2 82841167 343613564 /nfs/dbraw/zinc/61/35/64/343613564.db2.gz ZOSKVIRKDRGEHE-UHFFFAOYSA-N 1 0 151.213 0.374 50 0 in-vitro ACAARO CN1CC[NH2+]C[C@H]1C(C)(C)C 82845671 343613568 /nfs/dbraw/zinc/61/35/68/343613568.db2.gz ZKUOKKDZVODPCK-QMMMGPOBSA-N 1 0 156.273 0.936 50 0 ACAARO Cc1cc(C[NH3+])cc(=O)[nH]1 82837185 343613621 /nfs/dbraw/zinc/61/36/21/343613621.db2.gz GTEDHOOMFFIPAF-UHFFFAOYSA-N 1 0 138.170 0.142 50 0 ACAARO Cc1ccc([C@@H]([NH3+])CO)cn1 82841444 343613649 /nfs/dbraw/zinc/61/36/49/343613649.db2.gz UOABAZVGJCSWOV-QMMMGPOBSA-N 1 0 152.197 0.382 50 0 ACAARO Cc1nc([C@@H]2C[NH2+]CCO2)no1 82854261 343614064 /nfs/dbraw/zinc/61/40/64/343614064.db2.gz BODOVUIEOQOQKC-LURJTMIESA-N 1 0 169.184 0.039 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCO[C@H]1C(F)(F)F 82854034 343614076 /nfs/dbraw/zinc/61/40/76/343614076.db2.gz YQRAKOTXZFIGPC-RFZPGFLSSA-N 1 0 169.146 0.926 50 0 ACAARO Cc1nnc([C@@H]2C[NH2+]CCO2)o1 82854257 343614116 /nfs/dbraw/zinc/61/41/16/343614116.db2.gz JKOJBZGKKDYXOG-LURJTMIESA-N 1 0 169.184 0.039 50 0 in-vitro ACAARO Cc1nc(C[NH3+])c2n1CCCC2 82851777 343614136 /nfs/dbraw/zinc/61/41/36/343614136.db2.gz LUPCBMFTKUPWAZ-UHFFFAOYSA-N 1 0 165.240 0.987 50 0 in-vitro ACAARO Cc1nnc([C@H]2C[NH2+]CCO2)o1 82854258 343614145 /nfs/dbraw/zinc/61/41/45/343614145.db2.gz JKOJBZGKKDYXOG-ZCFIWIBFSA-N 1 0 169.184 0.039 50 0 in-vitro ACAARO Cc1nc([C@H]2C[NH2+]CCO2)no1 82854262 343614170 /nfs/dbraw/zinc/61/41/70/343614170.db2.gz BODOVUIEOQOQKC-ZCFIWIBFSA-N 1 0 169.184 0.039 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCO[C@@H]1C(F)(F)F 82854036 343614194 /nfs/dbraw/zinc/61/41/94/343614194.db2.gz YQRAKOTXZFIGPC-UHNVWZDZSA-N 1 0 169.146 0.926 50 0 ACAARO Cc1cn(C)nc1C[NH3+] 82848128 343614227 /nfs/dbraw/zinc/61/42/27/343614227.db2.gz AXACLKOUNGBFMU-UHFFFAOYSA-N 1 0 125.175 0.187 50 0 ACAARO Cc1n[nH]c(C)c1N1CC[NH2+]CC1 82873040 343614563 /nfs/dbraw/zinc/61/45/63/343614563.db2.gz YKRUVXPOPBITEA-UHFFFAOYSA-N 1 0 180.255 0.436 50 0 ACAARO CC[C@H]1CN(CC)CC[NH2+]1 82925145 343614944 /nfs/dbraw/zinc/61/49/44/343614944.db2.gz UZOVIHCILYKHPQ-QMMMGPOBSA-N 1 0 142.246 0.690 50 0 ACAARO CC[C@@H]1CN(CC)CC[NH2+]1 82925144 343615265 /nfs/dbraw/zinc/61/52/65/343615265.db2.gz UZOVIHCILYKHPQ-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 ACAARO C[C@H]1C[NH2+]C2(CCCC2)CN1 82960609 343615713 /nfs/dbraw/zinc/61/57/13/343615713.db2.gz LWYOOVDJHYJCFH-QMMMGPOBSA-N 1 0 154.257 0.881 50 0 ACAARO CN(C)C(=O)OC1CC[NH2+]CC1 83138011 343616572 /nfs/dbraw/zinc/61/65/72/343616572.db2.gz GGGMTJQCYUFHPX-UHFFFAOYSA-N 1 0 172.228 0.437 50 0 in-vitro ACAARO C[C@H]1CCC[NH2+][C@@H]1CN 83119303 343616653 /nfs/dbraw/zinc/61/66/53/343616653.db2.gz LXTOOORAYUNLJK-NKWVEPMBSA-N 1 0 128.219 0.333 50 0 in-vitro ACAARO C[C@H]1C[N@@H+](C2CCOCC2)CCN1 83060842 343616662 /nfs/dbraw/zinc/61/66/62/343616662.db2.gz WMSMHECRTQDPAK-VIFPVBQESA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO [NH3+]Cc1cc(=O)[nH]c(C2CCC2)n1 83137489 343616712 /nfs/dbraw/zinc/61/67/12/343616712.db2.gz CYVHDBGXINFZOG-UHFFFAOYSA-N 1 0 179.223 0.496 50 0 ACAARO C[NH2+]C1(CN)CCC1 83124656 343616794 /nfs/dbraw/zinc/61/67/94/343616794.db2.gz QQNQTARUSRGFQV-UHFFFAOYSA-N 1 0 114.192 0.087 50 0 ACAARO C[C@H]1CCC[NH2+][C@H]1CN 83119305 343616856 /nfs/dbraw/zinc/61/68/56/343616856.db2.gz LXTOOORAYUNLJK-BQBZGAKWSA-N 1 0 128.219 0.333 50 0 in-vitro ACAARO CC1(C)CC(C[NH3+])(CO)C1 83162055 343617173 /nfs/dbraw/zinc/61/71/73/343617173.db2.gz KVXAUCCBQXOOPV-UHFFFAOYSA-N 1 0 143.230 0.744 50 0 ACAARO C[NH2+]CCOC(F)(F)F 83141753 343617288 /nfs/dbraw/zinc/61/72/88/343617288.db2.gz VHELLJPSLBTBKY-UHFFFAOYSA-N 1 0 143.108 0.742 50 0 in-vitro ACAARO [NH3+]C1CC2(CCOCC2)C1 83172105 343617468 /nfs/dbraw/zinc/61/74/68/343617468.db2.gz ZDTIUHUGDCJDRO-UHFFFAOYSA-N 1 0 141.214 0.904 50 0 ACAARO CC[C@](C)(C[NH3+])[C@@H](C)O 83255103 343617627 /nfs/dbraw/zinc/61/76/27/343617627.db2.gz OCZIIUMNAYYWKI-RNFRBKRXSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@](C)(C[NH3+])[C@H](C)O 83255106 343617665 /nfs/dbraw/zinc/61/76/65/343617665.db2.gz OCZIIUMNAYYWKI-NKWVEPMBSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@H]1CCCO1 83255458 343617680 /nfs/dbraw/zinc/61/76/80/343617680.db2.gz BHONVBPCNYEAAB-RNFRBKRXSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@@H]1CCCO1 83255453 343617694 /nfs/dbraw/zinc/61/76/94/343617694.db2.gz BHONVBPCNYEAAB-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@H]([NH3+])[C@H]1CCCO1 83255456 343617701 /nfs/dbraw/zinc/61/77/01/343617701.db2.gz BHONVBPCNYEAAB-NKWVEPMBSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH3+] 83255373 343617863 /nfs/dbraw/zinc/61/78/63/343617863.db2.gz MADRMDMNNOMONO-IUCAKERBSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC1(C)COCCC[NH2+]1 83267439 343617904 /nfs/dbraw/zinc/61/79/04/343617904.db2.gz FSSBVHOACXQKIG-UHFFFAOYSA-N 1 0 129.203 0.775 50 0 ACAARO CC[C@@](C)(C[NH3+])[C@@H](C)O 83255101 343617908 /nfs/dbraw/zinc/61/79/08/343617908.db2.gz OCZIIUMNAYYWKI-RQJHMYQMSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH3+] 83255371 343617911 /nfs/dbraw/zinc/61/79/11/343617911.db2.gz MADRMDMNNOMONO-BDAKNGLRSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC[C@@](C)(C[NH3+])[C@H](C)O 83255105 343617913 /nfs/dbraw/zinc/61/79/13/343617913.db2.gz OCZIIUMNAYYWKI-BQBZGAKWSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H]([NH3+])[C@@H]1CCCO1 83255454 343617914 /nfs/dbraw/zinc/61/79/14/343617914.db2.gz BHONVBPCNYEAAB-RQJHMYQMSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1 83271545 343618356 /nfs/dbraw/zinc/61/83/56/343618356.db2.gz GWIBYLUSICZUEF-DTWKUNHWSA-N 1 0 170.256 0.069 50 0 ACAARO C[N@@H+]1C[C@H]2CCC(=O)C[C@@H]2C1 83268442 343618367 /nfs/dbraw/zinc/61/83/67/343618367.db2.gz MVEQRJSCNVLNHY-HTQZYQBOSA-N 1 0 153.225 0.917 50 0 ACAARO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1 83271546 343618390 /nfs/dbraw/zinc/61/83/90/343618390.db2.gz GWIBYLUSICZUEF-IUCAKERBSA-N 1 0 170.256 0.069 50 0 ACAARO C[N@H+]1C[C@H]2CC(=O)CC[C@H]2C1 83268441 343618427 /nfs/dbraw/zinc/61/84/27/343618427.db2.gz MVEQRJSCNVLNHY-JGVFFNPUSA-N 1 0 153.225 0.917 50 0 ACAARO CC(C)N1CC2(CC[NH2+]CC2)CC1=O 83351155 343618766 /nfs/dbraw/zinc/61/87/66/343618766.db2.gz OPNADRIVMPDISI-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO Cc1nc([C@H](N)C[NH3+])cs1 83428643 343619617 /nfs/dbraw/zinc/61/96/17/343619617.db2.gz UZNHKDKVSKTIHY-RXMQYKEDSA-N 1 0 157.242 0.410 50 0 in-vitro ACAARO CCS(=O)(=O)CCCCCC[NH3+] 83444932 343620053 /nfs/dbraw/zinc/62/00/53/343620053.db2.gz SBFXDZTWVPGVER-UHFFFAOYSA-N 1 0 193.312 0.940 50 0 ACAARO Cc1nc([C@@H](N)C[NH3+])cs1 83428644 343620062 /nfs/dbraw/zinc/62/00/62/343620062.db2.gz UZNHKDKVSKTIHY-YFKPBYRVSA-N 1 0 157.242 0.410 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@@]2(CCCOC2)O1 83472933 343620648 /nfs/dbraw/zinc/62/06/48/343620648.db2.gz NCWMLZSTQKSBMD-SNVBAGLBSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@]2(CCCOC2)O1 83472284 343620659 /nfs/dbraw/zinc/62/06/59/343620659.db2.gz WHSSJFUJDIVDQW-ZJUUUORDSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@]2(CCO[C@H](C)C2)O1 83471510 343620664 /nfs/dbraw/zinc/62/06/64/343620664.db2.gz ZVKOJCDGGWSBNL-UTLUCORTSA-N 1 0 185.267 0.932 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@@]2(CCOC2)O1 83472550 343620668 /nfs/dbraw/zinc/62/06/68/343620668.db2.gz CDYCWZNLDCNPTB-DTWKUNHWSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@]2(CCOC2)O1 83471824 343620672 /nfs/dbraw/zinc/62/06/72/343620672.db2.gz PTBMPLQSWYVVMM-JGVFFNPUSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@]2(CCOC2)O1 83472543 343620679 /nfs/dbraw/zinc/62/06/79/343620679.db2.gz CDYCWZNLDCNPTB-BDAKNGLRSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@]2(CCCOC2)O1 83472931 343620690 /nfs/dbraw/zinc/62/06/90/343620690.db2.gz NCWMLZSTQKSBMD-JTQLQIEISA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@@]2(CCOC2)O1 83472548 343620716 /nfs/dbraw/zinc/62/07/16/343620716.db2.gz CDYCWZNLDCNPTB-RKDXNWHRSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@]2(CCOC2)O1 83471822 343620761 /nfs/dbraw/zinc/62/07/61/343620761.db2.gz PTBMPLQSWYVVMM-YUMQZZPRSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@@]2(CCCOC2)O1 83472289 343620769 /nfs/dbraw/zinc/62/07/69/343620769.db2.gz WHSSJFUJDIVDQW-VHSXEESVSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@]2(CCCOC2)O1 83472286 343620919 /nfs/dbraw/zinc/62/09/19/343620919.db2.gz WHSSJFUJDIVDQW-UWVGGRQHSA-N 1 0 185.267 0.934 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@]2(CCOC2)O1 83473055 343620955 /nfs/dbraw/zinc/62/09/55/343620955.db2.gz XVWWSNZAULFPFL-VIFPVBQESA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@@]2(CCOC2)O1 83473059 343620989 /nfs/dbraw/zinc/62/09/89/343620989.db2.gz XVWWSNZAULFPFL-SECBINFHSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@]2(CCO[C@H](C)C2)O1 83471514 343621023 /nfs/dbraw/zinc/62/10/23/343621023.db2.gz ZVKOJCDGGWSBNL-KXUCPTDWSA-N 1 0 185.267 0.932 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@@]2(CCCOC2)O1 83471629 343621039 /nfs/dbraw/zinc/62/10/39/343621039.db2.gz WECVITHMQNGXJT-DTWKUNHWSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@]2(CCCOC2)O1 83471624 343621049 /nfs/dbraw/zinc/62/10/49/343621049.db2.gz WECVITHMQNGXJT-IUCAKERBSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]C[C@]2(CCOC2)O1 83472546 343621064 /nfs/dbraw/zinc/62/10/64/343621064.db2.gz CDYCWZNLDCNPTB-IUCAKERBSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ccnnc1 83591679 343621562 /nfs/dbraw/zinc/62/15/62/343621562.db2.gz KUXWBGLSIGPVNA-YFKPBYRVSA-N 1 0 123.159 0.496 50 0 in-vitro ACAARO C[NH2+]C1(CCO)CCOCC1 83616974 343622129 /nfs/dbraw/zinc/62/21/29/343622129.db2.gz DSYVUMZGGJGAQQ-UHFFFAOYSA-N 1 0 159.229 0.137 50 0 ACAARO CCCN1CCC[NH2+]CC1=O 83747599 343624091 /nfs/dbraw/zinc/62/40/91/343624091.db2.gz ONMRUIGEYUMICY-UHFFFAOYSA-N 1 0 156.229 0.218 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H]1C[C@H]1C 83811133 343624176 /nfs/dbraw/zinc/62/41/76/343624176.db2.gz PNORXWKSUWCACH-NGJCXOISSA-N 1 0 99.177 0.990 50 0 ACAARO C[C@H]([NH3+])[C@H]1C[C@H]1C 83811131 343624193 /nfs/dbraw/zinc/62/41/93/343624193.db2.gz PNORXWKSUWCACH-SRQIZXRXSA-N 1 0 99.177 0.990 50 0 ACAARO C[C@H]([NH3+])[C@H]1C[C@@H]1C 83811132 343624318 /nfs/dbraw/zinc/62/43/18/343624318.db2.gz PNORXWKSUWCACH-ZLUOBGJFSA-N 1 0 99.177 0.990 50 0 ACAARO C[C@H]1CN(CC(C)(C)O)CC[NH2+]1 83814852 343624521 /nfs/dbraw/zinc/62/45/21/343624521.db2.gz OIQQKFXQWQDNNL-QMMMGPOBSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@H](CO)[NH2+]CC1CCC1 83838382 343625556 /nfs/dbraw/zinc/62/55/56/343625556.db2.gz JQWURHQWUTWQOF-SSDOTTSWSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO [NH3+]Cc1cn(-c2cccs2)nn1 83964228 343628815 /nfs/dbraw/zinc/62/88/15/343628815.db2.gz BVGFTSPGQYBLNC-UHFFFAOYSA-N 1 0 180.236 0.788 50 0 ACAARO CCC(=O)C[NH2+]C 83961895 343628830 /nfs/dbraw/zinc/62/88/30/343628830.db2.gz INIRAEKEVJJFAU-UHFFFAOYSA-N 1 0 101.149 0.185 50 0 ACAARO CC(C)n1ncnc1C[NH3+] 83977212 343629365 /nfs/dbraw/zinc/62/93/65/343629365.db2.gz GAYVDXSUZFIMFL-UHFFFAOYSA-N 1 0 140.190 0.318 50 0 in-vitro ACAARO COCc1cccc([C@H]([NH3+])CO)c1 83968767 343629414 /nfs/dbraw/zinc/62/94/14/343629414.db2.gz HJXHPUKDNNSWHS-SNVBAGLBSA-N 1 0 181.235 0.825 50 0 ACAARO CC[C@H]1CC[NH2+]1 84179011 343631682 /nfs/dbraw/zinc/63/16/82/343631682.db2.gz NZZNMDNKJVUJAL-YFKPBYRVSA-N 1 0 85.150 0.758 50 0 ACAARO C[C@H]1[NH2+]CCC[C@H]1CO 84237481 343632741 /nfs/dbraw/zinc/63/27/41/343632741.db2.gz DAAYDZZFCLQTFA-RQJHMYQMSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCC[C@@H]1CO 84237487 343632754 /nfs/dbraw/zinc/63/27/54/343632754.db2.gz DAAYDZZFCLQTFA-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@H](O)C1 84249193 343633031 /nfs/dbraw/zinc/63/30/31/343633031.db2.gz YSMFLVFYXUOAEC-ZCFIWIBFSA-N 1 0 129.203 0.367 50 0 ACAARO C[N@@H+]1CC[C@H](CCO)C1 84285381 343633044 /nfs/dbraw/zinc/63/30/44/343633044.db2.gz HRVHWDLLWKMHNT-SSDOTTSWSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO CC1(C)C[NH2+]C[C@@H](O)C1 84249192 343633058 /nfs/dbraw/zinc/63/30/58/343633058.db2.gz YSMFLVFYXUOAEC-LURJTMIESA-N 1 0 129.203 0.367 50 0 ACAARO CC1(CC[NH3+])COC1 84306270 343633792 /nfs/dbraw/zinc/63/37/92/343633792.db2.gz AZUGBTLXVSKJER-UHFFFAOYSA-N 1 0 115.176 0.372 50 0 ACAARO CC(C)(O)[C@H]([NH3+])C1CC1 84327320 343634178 /nfs/dbraw/zinc/63/41/78/343634178.db2.gz UPUDUWVEAZOVQS-ZCFIWIBFSA-N 1 0 129.203 0.495 50 0 ACAARO CN(C)c1cccnc1C[NH3+] 86492553 343651841 /nfs/dbraw/zinc/65/18/41/343651841.db2.gz XQPHBZLBMGDDMS-UHFFFAOYSA-N 1 0 151.213 0.606 50 0 in-vitro ACAARO CCCN1CC2(CC[NH2+]CC2)CC1=O 84415648 343635781 /nfs/dbraw/zinc/63/57/81/343635781.db2.gz RAMZYOZQBYXQSY-UHFFFAOYSA-N 1 0 196.294 0.999 50 0 ACAARO CCN1C[C@@H](C)[NH2+]CCC1=O 84427097 343636433 /nfs/dbraw/zinc/63/64/33/343636433.db2.gz LDRWMNJTKLPJIF-SSDOTTSWSA-N 1 0 156.229 0.217 50 0 ACAARO CC[NH2+]C1CC(O)C1 84421668 343636545 /nfs/dbraw/zinc/63/65/45/343636545.db2.gz JKPSRIVNHPZNDF-UHFFFAOYSA-N 1 0 115.176 0.119 50 0 ACAARO CCN1C[C@H](C)[NH2+]CCC1=O 84427096 343636642 /nfs/dbraw/zinc/63/66/42/343636642.db2.gz LDRWMNJTKLPJIF-ZETCQYMHSA-N 1 0 156.229 0.217 50 0 ACAARO OC1CC([NH2+]CC2CC2)C1 84442880 343637115 /nfs/dbraw/zinc/63/71/15/343637115.db2.gz GNGOCVUNUFXSIH-UHFFFAOYSA-N 1 0 141.214 0.509 50 0 ACAARO COCCC[C@@]1(CO)CCC[NH2+]C1 85039222 343638900 /nfs/dbraw/zinc/63/89/00/343638900.db2.gz KJBARHNQYYJBME-JTQLQIEISA-N 1 0 187.283 0.775 50 0 ACAARO COCCC[C@]1(CO)CCC[NH2+]C1 85039221 343639031 /nfs/dbraw/zinc/63/90/31/343639031.db2.gz KJBARHNQYYJBME-SNVBAGLBSA-N 1 0 187.283 0.775 50 0 ACAARO CCCn1cncc1C[NH3+] 85185935 343641395 /nfs/dbraw/zinc/64/13/95/343641395.db2.gz CPTIZMDUZMPFOG-UHFFFAOYSA-N 1 0 139.202 0.752 50 0 ACAARO CN(C)c1cnc(C[NH3+])nc1 85223470 343641707 /nfs/dbraw/zinc/64/17/07/343641707.db2.gz ASHZJIQNBDFBRJ-UHFFFAOYSA-N 1 0 152.201 0.001 50 0 in-vitro ACAARO C[C@H]1C[NH2+]CCSC1 85339282 343642122 /nfs/dbraw/zinc/64/21/22/343642122.db2.gz JARIEFSABMMQON-LURJTMIESA-N 1 0 131.244 0.959 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]C[C@H](C)[S@@]1=O 85304559 343642213 /nfs/dbraw/zinc/64/22/13/343642213.db2.gz HRXGNKLLVIMNOT-NYNCVSEMSA-N 1 0 161.270 0.505 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](C)S1=O 85304151 343642254 /nfs/dbraw/zinc/64/22/54/343642254.db2.gz OLIXMODZQVKARI-WDSKDSINSA-N 1 0 147.243 0.115 50 0 in-vitro ACAARO C[C@H]1CC[S@](=O)CC[NH2+]1 85318101 343642266 /nfs/dbraw/zinc/64/22/66/343642266.db2.gz QPIBDXWIHXCSIZ-IMTBSYHQSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]CC[S@]1=O 85343998 343642731 /nfs/dbraw/zinc/64/27/31/343642731.db2.gz QANGRKHESHOTPV-RCOVLWMOSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]CC[S@@]1=O 85343993 343642831 /nfs/dbraw/zinc/64/28/31/343642831.db2.gz QANGRKHESHOTPV-IMTBSYHQSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO C[C@H](OC1C[NH2+]C1)C(F)(F)F 85422059 343643959 /nfs/dbraw/zinc/64/39/59/343643959.db2.gz SODVEOFMHDTURM-BYPYZUCNSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO C[NH2+]C1CC(OC)C1 85520965 343644534 /nfs/dbraw/zinc/64/45/34/343644534.db2.gz XBSDJXNXYCRWDX-UHFFFAOYSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO CCn1ccc(C[NH3+])c1 85582313 343645480 /nfs/dbraw/zinc/64/54/80/343645480.db2.gz VWYWRMVYZDEIPA-UHFFFAOYSA-N 1 0 124.187 0.967 50 0 ACAARO Cc1ncccc1NC(=O)[C@H](C)[NH3+] 85727867 343647132 /nfs/dbraw/zinc/64/71/32/343647132.db2.gz ZGFQDCVGSLTQHZ-LURJTMIESA-N 1 0 179.223 0.676 50 0 ACAARO Cc1ncccc1NC(=O)[C@@H](C)[NH3+] 85727775 343647268 /nfs/dbraw/zinc/64/72/68/343647268.db2.gz ZGFQDCVGSLTQHZ-ZCFIWIBFSA-N 1 0 179.223 0.676 50 0 ACAARO [NH3+]C[C@@]1(CO)CCc2ccccc21 85920250 343647566 /nfs/dbraw/zinc/64/75/66/343647566.db2.gz GOVJPCVWNHIPTH-LLVKDONJSA-N 1 0 177.247 0.822 50 0 ACAARO COCC[C@@](C)(O)C(C)(C)C[NH3+] 85900869 343647612 /nfs/dbraw/zinc/64/76/12/343647612.db2.gz WEXZFQWYNOFOSM-SECBINFHSA-N 1 0 175.272 0.759 50 0 ACAARO CC(C)(C[NH3+])[C@@]1(O)CCOC1 85901888 343647623 /nfs/dbraw/zinc/64/76/23/343647623.db2.gz JRRSKRZXHXJRGU-MRVPVSSYSA-N 1 0 159.229 0.123 50 0 ACAARO CC(C)(C[NH3+])[C@]1(O)CCOC1 85901881 343647686 /nfs/dbraw/zinc/64/76/86/343647686.db2.gz JRRSKRZXHXJRGU-QMMMGPOBSA-N 1 0 159.229 0.123 50 0 ACAARO COCC[C@](C)(O)C(C)(C)C[NH3+] 85900871 343647751 /nfs/dbraw/zinc/64/77/51/343647751.db2.gz WEXZFQWYNOFOSM-VIFPVBQESA-N 1 0 175.272 0.759 50 0 ACAARO [NH3+]C[C@]1(CO)CCc2ccccc21 85920252 343647830 /nfs/dbraw/zinc/64/78/30/343647830.db2.gz GOVJPCVWNHIPTH-NSHDSACASA-N 1 0 177.247 0.822 50 0 ACAARO CN(C)C(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 85956939 343648277 /nfs/dbraw/zinc/64/82/77/343648277.db2.gz IELQUVKXMGALNU-JVHMLUBASA-N 1 0 197.282 0.541 50 0 ACAARO Cc1ccc(O)c(C[NH3+])n1 85971850 343648650 /nfs/dbraw/zinc/64/86/50/343648650.db2.gz HYBSRKXKMIPKHG-UHFFFAOYSA-N 1 0 138.170 0.554 50 0 ACAARO CNC(=[NH2+])C(C)(C)OC 86075347 343649271 /nfs/dbraw/zinc/64/92/71/343649271.db2.gz FSVGCMWZKYXTCX-UHFFFAOYSA-N 1 0 130.191 0.608 50 0 in-vitro ACAARO Nc1cc[nH+]c(Cn2cccn2)c1 86134729 343649951 /nfs/dbraw/zinc/64/99/51/343649951.db2.gz NCCFENFWJICNAH-UHFFFAOYSA-N 1 0 174.207 0.909 50 0 ACAARO CN(C)Cc1cc(N)cc[nH+]1 86134419 343650083 /nfs/dbraw/zinc/65/00/83/343650083.db2.gz YNPUVQQTJNVFFL-UHFFFAOYSA-N 1 0 151.213 0.725 50 0 in-vitro ACAARO CN(C)C(=O)O[C@H]1CCC[NH2+]C1 86229663 343650296 /nfs/dbraw/zinc/65/02/96/343650296.db2.gz NFSWAGGCLPQHAX-ZETCQYMHSA-N 1 0 172.228 0.437 50 0 ACAARO O=C(NC1CC1)OC1CC[NH2+]CC1 86229530 343650341 /nfs/dbraw/zinc/65/03/41/343650341.db2.gz ABAPYRZJULGSQL-UHFFFAOYSA-N 1 0 184.239 0.627 50 0 ACAARO CN(C)C(=O)O[C@@H]1CCC[NH2+]C1 86229662 343650398 /nfs/dbraw/zinc/65/03/98/343650398.db2.gz NFSWAGGCLPQHAX-SSDOTTSWSA-N 1 0 172.228 0.437 50 0 ACAARO CC(C)NC(=O)OC1C[NH2+]C1 86230770 343650402 /nfs/dbraw/zinc/65/04/02/343650402.db2.gz ZMSIIICZVIHEDO-UHFFFAOYSA-N 1 0 158.201 0.093 50 0 in-vitro ACAARO CN(C)C(=O)O[C@H]1CC[NH2+]C1 86229571 343650478 /nfs/dbraw/zinc/65/04/78/343650478.db2.gz VGGYKDDTDHVRCA-LURJTMIESA-N 1 0 158.201 0.047 50 0 ACAARO CN(C)C(=O)OC[C@H]1CCCC[NH2+]1 86229849 343650561 /nfs/dbraw/zinc/65/05/61/343650561.db2.gz GFXDYFPFDQSAMZ-MRVPVSSYSA-N 1 0 186.255 0.827 50 0 in-vitro ACAARO CN(C)C(=O)OC[C@@H]1CCCC[NH2+]1 86229846 343650609 /nfs/dbraw/zinc/65/06/09/343650609.db2.gz GFXDYFPFDQSAMZ-QMMMGPOBSA-N 1 0 186.255 0.827 50 0 in-vitro ACAARO C[C@H]1OCC[C@H]1C[NH3+] 86245604 343651098 /nfs/dbraw/zinc/65/10/98/343651098.db2.gz NWBRGMQYVOMXEG-RITPCOANSA-N 1 0 115.176 0.370 50 0 ACAARO O[C@H]1CCCN([C@H]2CCC[NH2+]C2)C1 86410439 343651369 /nfs/dbraw/zinc/65/13/69/343651369.db2.gz VLHVFQLTMXOXJI-UWVGGRQHSA-N 1 0 184.283 0.195 50 0 ACAARO Cc1c([C@@H]2C[C@H]2[NH3+])cnn1C 86552750 343652571 /nfs/dbraw/zinc/65/25/71/343652571.db2.gz IHWXVESOTKBSJR-POYBYMJQSA-N 1 0 151.213 0.543 50 0 ACAARO CNC(=[NH2+])[C@@H](C)OC 86591419 343652918 /nfs/dbraw/zinc/65/29/18/343652918.db2.gz PLWUPFGAJXCPSH-SCSAIBSYSA-N 1 0 116.164 0.218 50 0 ACAARO CNC(=[NH2+])[C@H](C)OC 86591418 343652921 /nfs/dbraw/zinc/65/29/21/343652921.db2.gz PLWUPFGAJXCPSH-BYPYZUCNSA-N 1 0 116.164 0.218 50 0 ACAARO CC(C)(C[NH3+])Cn1cccn1 86595816 343652939 /nfs/dbraw/zinc/65/29/39/343652939.db2.gz ZUFBLKYJCLHSDW-UHFFFAOYSA-N 1 0 153.229 0.868 50 0 in-vitro ACAARO COC(=O)C[C@](C)([NH3+])C1CC1 86851398 343655825 /nfs/dbraw/zinc/65/58/25/343655825.db2.gz PZVGMAKESFMVMU-QMMMGPOBSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO COC(=O)C[C@@](C)([NH3+])C1CC1 86851396 343655966 /nfs/dbraw/zinc/65/59/66/343655966.db2.gz PZVGMAKESFMVMU-MRVPVSSYSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO CC1(C)CCC[C@@]1(O)C[NH3+] 86866848 343656775 /nfs/dbraw/zinc/65/67/75/343656775.db2.gz YIFCNTAAVCXKBG-MRVPVSSYSA-N 1 0 143.230 0.886 50 0 ACAARO CC1(C)CCC[C@]1(O)C[NH3+] 86866847 343656900 /nfs/dbraw/zinc/65/69/00/343656900.db2.gz YIFCNTAAVCXKBG-QMMMGPOBSA-N 1 0 143.230 0.886 50 0 ACAARO CC(C)[C@]1(CO)CC[NH2+]C1 87155595 343658261 /nfs/dbraw/zinc/65/82/61/343658261.db2.gz PDNWIJUIFXPSAA-MRVPVSSYSA-N 1 0 143.230 0.614 50 0 in-vitro ACAARO C[C@]1(O)CC[C@@H]([NH3+])C1 87653678 343662901 /nfs/dbraw/zinc/66/29/01/343662901.db2.gz IYFHJEJEAYGRRF-RITPCOANSA-N 1 0 115.176 0.249 50 0 ACAARO [NH3+]C1(C(F)F)CCOCC1 87688020 343663329 /nfs/dbraw/zinc/66/33/29/343663329.db2.gz GGVLUEZGBJWERZ-UHFFFAOYSA-N 1 0 151.156 0.759 50 0 ACAARO C[NH2+]CCCF 87777085 343664063 /nfs/dbraw/zinc/66/40/63/343664063.db2.gz OMMBEQZVNCHVOJ-UHFFFAOYSA-N 1 0 91.129 0.565 50 0 ACAARO FCCCOC1C[NH2+]C1 88025936 343666198 /nfs/dbraw/zinc/66/61/98/343666198.db2.gz BETYDMHNZHWAJT-UHFFFAOYSA-N 1 0 133.166 0.334 50 0 ACAARO OC1CC[NH+](CCCF)CC1 88026786 343666522 /nfs/dbraw/zinc/66/65/22/343666522.db2.gz KXPZBONHFKEEHF-UHFFFAOYSA-N 1 0 161.220 0.803 50 0 ACAARO O[C@@H]1CCC[N@H+](CCCF)C1 88026785 343666553 /nfs/dbraw/zinc/66/65/53/343666553.db2.gz DKXDHPPEQGKVTR-MRVPVSSYSA-N 1 0 161.220 0.803 50 0 ACAARO O[C@H]1CC[N@H+](CCCF)C1 88026816 343666610 /nfs/dbraw/zinc/66/66/10/343666610.db2.gz FQSJNYSAZLPSBQ-ZETCQYMHSA-N 1 0 147.193 0.413 50 0 ACAARO O[C@@H]1CC[N@H+](CCCF)C1 88026815 343666666 /nfs/dbraw/zinc/66/66/66/343666666.db2.gz FQSJNYSAZLPSBQ-SSDOTTSWSA-N 1 0 147.193 0.413 50 0 ACAARO O[C@H]1CCC[N@H+](CCCF)C1 88026784 343666877 /nfs/dbraw/zinc/66/68/77/343666877.db2.gz DKXDHPPEQGKVTR-QMMMGPOBSA-N 1 0 161.220 0.803 50 0 ACAARO CN(C)CC1([NH3+])CCC1 88051686 343667239 /nfs/dbraw/zinc/66/72/39/343667239.db2.gz OMTAOOUFJIYVKU-UHFFFAOYSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO C[C@H]1CC[C@@H](C[NH3+])O1 88141225 343667816 /nfs/dbraw/zinc/66/78/16/343667816.db2.gz QVDZSYSWFHRVRU-WDSKDSINSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[NH2+]CC1(O)CCC1 88117580 343667902 /nfs/dbraw/zinc/66/79/02/343667902.db2.gz JCUCUOPMRFMUGM-UHFFFAOYSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO CC1(C)CC(C[NH3+])=NO1 88189568 343668661 /nfs/dbraw/zinc/66/86/61/343668661.db2.gz JBFDQWSJHZEMIB-UHFFFAOYSA-N 1 0 128.175 0.500 50 0 ACAARO CC1(C)CC(=O)C[NH2+]1 88189681 343668922 /nfs/dbraw/zinc/66/89/22/343668922.db2.gz ZTXSXVWHVLDJQB-UHFFFAOYSA-N 1 0 113.160 0.327 50 0 in-vitro ACAARO C[C@H]1C[C@H](C)[NH2+]1 88189673 343669024 /nfs/dbraw/zinc/66/90/24/343669024.db2.gz YPIDADKMTAZBST-WHFBIAKZSA-N 1 0 85.150 0.757 50 0 in-vitro ACAARO C[C@H]1[C@@H](C)[NH2+]CCN1C 88613845 343671577 /nfs/dbraw/zinc/67/15/77/343671577.db2.gz GWTSFWMDTLOQTC-RQJHMYQMSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO Cc1nc(C[NH3+])ccc1[C@H](C)O 88613710 343671638 /nfs/dbraw/zinc/67/16/38/343671638.db2.gz DHGBTEWYRLRIBA-ZETCQYMHSA-N 1 0 166.224 0.902 50 0 in-vitro ACAARO C[NH2+]CCC[NH2+]CCCC(=O)[O-] 88613613 343671658 /nfs/dbraw/zinc/67/16/58/343671658.db2.gz MZDCDJTWWWGCHT-UHFFFAOYSA-N 1 0 174.244 0.050 50 0 ACAARO CC[C@@]1(CO)CCC[N@@H+]1C 88613733 343671781 /nfs/dbraw/zinc/67/17/81/343671781.db2.gz ONCQZLDVYRIZII-QMMMGPOBSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO CC[C@]1(CO)CCC[N@@H+]1C 88613732 343671819 /nfs/dbraw/zinc/67/18/19/343671819.db2.gz ONCQZLDVYRIZII-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCN(C)[C@@H]1C 88613847 343671824 /nfs/dbraw/zinc/67/18/24/343671824.db2.gz GWTSFWMDTLOQTC-RNFRBKRXSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO Cc1nc(C[NH3+])ccc1[C@@H](C)O 88613709 343671828 /nfs/dbraw/zinc/67/18/28/343671828.db2.gz DHGBTEWYRLRIBA-SSDOTTSWSA-N 1 0 166.224 0.902 50 0 in-vitro ACAARO CC1(F)CC([NH3+])C1 88613768 343671839 /nfs/dbraw/zinc/67/18/39/343671839.db2.gz AOYYTLOIJHHVQS-UHFFFAOYSA-N 1 0 103.140 0.836 50 0 in-vitro ACAARO CN(C)CC[NH2+]Cc1ccncc1 90225615 343675059 /nfs/dbraw/zinc/67/50/59/343675059.db2.gz QQSDZNWIOXPTLT-UHFFFAOYSA-N 1 0 179.267 0.733 50 0 in-vitro ACAARO C[N@H+](CCN)C1CCCC1 90225610 343675088 /nfs/dbraw/zinc/67/50/88/343675088.db2.gz YUGHUGYCOBWRDH-UHFFFAOYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO CC(C)[C@H](O)C1(C[NH3+])CC1 90225799 343675111 /nfs/dbraw/zinc/67/51/11/343675111.db2.gz IUNFLTXQCGMMKR-ZETCQYMHSA-N 1 0 143.230 0.742 50 0 in-vitro ACAARO CN(C)CC[NH2+]Cc1ccccn1 90225624 343675113 /nfs/dbraw/zinc/67/51/13/343675113.db2.gz DBEIHURZAFSRSR-UHFFFAOYSA-N 1 0 179.267 0.733 50 0 in-vitro ACAARO Cc1ccn[nH+]c1NN 91365488 343677468 /nfs/dbraw/zinc/67/74/68/343677468.db2.gz RMYDJKBGPHPHFX-UHFFFAOYSA-N 1 0 124.147 0.071 50 0 in-vitro ACAARO C[C@H]([NH3+])c1ncc(F)cn1 91302202 343677496 /nfs/dbraw/zinc/67/74/96/343677496.db2.gz AHCHUPFJXHQIRC-BYPYZUCNSA-N 1 0 141.149 0.635 50 0 in-vitro ACAARO Cc1ccnc2c1C[NH2+]C2 91366126 343678079 /nfs/dbraw/zinc/67/80/79/343678079.db2.gz VXYATYWXMHRMFP-UHFFFAOYSA-N 1 0 134.182 0.993 50 0 ACAARO Cc1nccnc1O[C@H]1CCC[NH2+]C1 95069456 343679023 /nfs/dbraw/zinc/67/90/23/343679023.db2.gz KPBBZBUZFKIRMV-VIFPVBQESA-N 1 0 193.250 0.916 50 0 ACAARO Cc1nccnc1O[C@@H]1CCC[NH2+]C1 95069455 343679242 /nfs/dbraw/zinc/67/92/42/343679242.db2.gz KPBBZBUZFKIRMV-SECBINFHSA-N 1 0 193.250 0.916 50 0 ACAARO Cc1nccnc1OC1CC[NH2+]CC1 95069457 343679260 /nfs/dbraw/zinc/67/92/60/343679260.db2.gz XDFBBONKSZPSPR-UHFFFAOYSA-N 1 0 193.250 0.916 50 0 ACAARO C[C@]1(O)C[NH+]2CCC1CC2 95080260 343679469 /nfs/dbraw/zinc/67/94/69/343679469.db2.gz IEWKLMGEIQEKBG-QMMMGPOBSA-N 1 0 141.214 0.463 50 0 ACAARO Cc1c[nH]c(N)[nH+]1 95079390 343679688 /nfs/dbraw/zinc/67/96/88/343679688.db2.gz BKRYFHAXBGUIOI-UHFFFAOYSA-N 1 0 97.121 0.300 50 0 in-vitro ACAARO C[C@H]1C[NH2+]C[C@H](C)C1O 95090993 343680789 /nfs/dbraw/zinc/68/07/89/343680789.db2.gz XWMNKXXLTZKPQA-WDSKDSINSA-N 1 0 129.203 0.223 50 0 ACAARO CN(C)CC[NH2+]Cc1cccnc1 95212895 343682372 /nfs/dbraw/zinc/68/23/72/343682372.db2.gz XYGQVQONQGFXFY-UHFFFAOYSA-N 1 0 179.267 0.733 50 0 in-vitro ACAARO CC12CN3CC[NH+](C1)CC(C)(C3)C2=O 95171463 343682529 /nfs/dbraw/zinc/68/25/29/343682529.db2.gz RDDACAGJHXCPJL-UHFFFAOYSA-N 1 0 194.278 0.213 50 0 in-vitro ACAARO CC(C)c1nc([C@H]2C[NH2+]CCO2)no1 95348393 343683030 /nfs/dbraw/zinc/68/30/30/343683030.db2.gz YKIMBMREHRVXEW-SSDOTTSWSA-N 1 0 197.238 0.854 50 0 in-vitro ACAARO CC(C)c1nc([C@@H]2C[NH2+]CCO2)no1 95348392 343683117 /nfs/dbraw/zinc/68/31/17/343683117.db2.gz YKIMBMREHRVXEW-ZETCQYMHSA-N 1 0 197.238 0.854 50 0 in-vitro ACAARO C[C@H]1OCC[C@@]1(C)[NH3+] 95218289 343683181 /nfs/dbraw/zinc/68/31/81/343683181.db2.gz AXWLTIYDQWQSEC-PHDIDXHHSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@H]1OCC[C@]1(C)[NH3+] 95218285 343683229 /nfs/dbraw/zinc/68/32/29/343683229.db2.gz AXWLTIYDQWQSEC-RITPCOANSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO CC(C)[N@@H+]1CCC[C@@H]1CN 95346837 343683343 /nfs/dbraw/zinc/68/33/43/343683343.db2.gz GDRVIRMOAGAAGC-MRVPVSSYSA-N 1 0 142.246 0.818 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H]1CCCCO1 95218352 343683352 /nfs/dbraw/zinc/68/33/52/343683352.db2.gz ZAZPZBYFJCQFDP-BQBZGAKWSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CN(CCC[NH+](C)C)C(=O)NC1CC1 95463079 343683643 /nfs/dbraw/zinc/68/36/43/343683643.db2.gz AGLQBJDNETVOIU-UHFFFAOYSA-N 1 0 199.298 0.742 50 0 ACAARO CNC(=O)N(C)CCC[NH+](C)C 95467168 343683725 /nfs/dbraw/zinc/68/37/25/343683725.db2.gz UJXKRSANKLKRLO-UHFFFAOYSA-N 1 0 173.260 0.209 50 0 ACAARO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccnn1C 95431680 343683800 /nfs/dbraw/zinc/68/38/00/343683800.db2.gz DCKMTJMDQQJKPF-SCZZXKLOSA-N 1 0 195.266 0.687 50 0 ACAARO CCC([NH3+])(CC)C(=O)OC 95619266 343684263 /nfs/dbraw/zinc/68/42/63/343684263.db2.gz JATPQYOJRYBVGT-UHFFFAOYSA-N 1 0 145.202 0.677 50 0 biogenic,in-vitro ACAARO Cc1cc(F)cnc1C[NH3+] 95616405 343684414 /nfs/dbraw/zinc/68/44/14/343684414.db2.gz SBZUVOUQFLIBKX-UHFFFAOYSA-N 1 0 140.161 0.988 50 0 in-vitro ACAARO C[NH2+]C1CC2(COC2)C1 95630848 343684879 /nfs/dbraw/zinc/68/48/79/343684879.db2.gz ZBMFDDVABBAHCI-UHFFFAOYSA-N 1 0 127.187 0.385 50 0 ACAARO CNC(=O)[C@H]([NH3+])c1ccccc1 95634791 343684928 /nfs/dbraw/zinc/68/49/28/343684928.db2.gz YEKJABDQUZLZOA-MRVPVSSYSA-N 1 0 164.208 0.432 50 0 in-vitro ACAARO CC1(C)C[C@H](C[NH3+])O1 95630834 343685082 /nfs/dbraw/zinc/68/50/82/343685082.db2.gz JDVXFWBTLQEYPW-RXMQYKEDSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@H](F)CN1CCC([NH3+])CC1 95642798 343685443 /nfs/dbraw/zinc/68/54/43/343685443.db2.gz RMSWGBVNKLAMJW-ZETCQYMHSA-N 1 0 160.236 0.768 50 0 ACAARO CC1(O)CC2(CC[NH2+]CC2)C1 95698529 343685549 /nfs/dbraw/zinc/68/55/49/343685549.db2.gz LSUSLIXZJPDIMA-UHFFFAOYSA-N 1 0 155.241 0.901 50 0 in-vitro ACAARO [NH3+]Cc1cccc2c1CCNC2=O 95726807 343685920 /nfs/dbraw/zinc/68/59/20/343685920.db2.gz CDYUOFPONXGQTN-UHFFFAOYSA-N 1 0 176.219 0.431 50 0 ACAARO Cc1cnncc1C[NH3+] 95743040 343686922 /nfs/dbraw/zinc/68/69/22/343686922.db2.gz ZXSZWZBAMSAIHU-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 ACAARO Cc1ccnnc1C[NH3+] 95743166 343686985 /nfs/dbraw/zinc/68/69/85/343686985.db2.gz FKZGBUUSOKEAIC-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 ACAARO CN1CCC[C@H]2[NH2+]CCC[C@H]21 95742613 343686937 /nfs/dbraw/zinc/68/69/37/343686937.db2.gz TYDLYZLEIVJSSX-RKDXNWHRSA-N 1 0 154.257 0.833 50 0 ACAARO Cc1cnnc(C[NH3+])c1 95743290 343686966 /nfs/dbraw/zinc/68/69/66/343686966.db2.gz GNFXRLQXISLJFE-UHFFFAOYSA-N 1 0 123.159 0.244 50 0 in-vitro ACAARO CC1([NH3+])CCC(O)CC1 95743035 343686979 /nfs/dbraw/zinc/68/69/79/343686979.db2.gz KVXJOQDOXLXUSA-UHFFFAOYSA-N 1 0 129.203 0.639 50 0 in-vitro ACAARO C[N@H+]1[C@H]2CCC[C@@H]1C[C@@H]2O 95743025 343687097 /nfs/dbraw/zinc/68/70/97/343687097.db2.gz PZPVPVJLCPBGRW-CSMHCCOUSA-N 1 0 141.214 0.604 50 0 ACAARO CC1(O)CC(C[NH3+])C1 95743300 343687185 /nfs/dbraw/zinc/68/71/85/343687185.db2.gz ZKOTWCOHRWHNHA-UHFFFAOYSA-N 1 0 115.176 0.106 50 0 ACAARO Cc1cc(C[NH3+])cc(N)n1 95766976 343687447 /nfs/dbraw/zinc/68/74/47/343687447.db2.gz FFCIRYQIOZVOOD-UHFFFAOYSA-N 1 0 137.186 0.431 50 0 ACAARO C[C@]([NH3+])(CO)c1cccc(N)c1 95759316 343687560 /nfs/dbraw/zinc/68/75/60/343687560.db2.gz GAIWYSQZMDQRPS-VIFPVBQESA-N 1 0 166.224 0.435 50 0 ACAARO C[C@@]([NH3+])(CO)c1cccc(N)c1 95756666 343687566 /nfs/dbraw/zinc/68/75/66/343687566.db2.gz GAIWYSQZMDQRPS-SECBINFHSA-N 1 0 166.224 0.435 50 0 ACAARO CC(C)c1nnc2n1CC[NH2+]CC2 95762357 343687803 /nfs/dbraw/zinc/68/78/03/343687803.db2.gz WJRLHQFGRRXEEQ-UHFFFAOYSA-N 1 0 180.255 0.547 50 0 ACAARO Cc1nc(C)c(C[NH3+])nc1C 95829536 343687983 /nfs/dbraw/zinc/68/79/83/343687983.db2.gz GUZIZKBRHBGPOS-UHFFFAOYSA-N 1 0 151.213 0.861 50 0 ACAARO CNC(=O)[C@@H]([NH3+])c1ccccc1 95864176 343688506 /nfs/dbraw/zinc/68/85/06/343688506.db2.gz YEKJABDQUZLZOA-QMMMGPOBSA-N 1 0 164.208 0.432 50 0 in-vitro ACAARO CC1(C)C[C@H](CO)C[NH2+]1 95831156 343688537 /nfs/dbraw/zinc/68/85/37/343688537.db2.gz JMLPZBGYYFXYBO-LURJTMIESA-N 1 0 129.203 0.367 50 0 ACAARO CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 95864182 343688614 /nfs/dbraw/zinc/68/86/14/343688614.db2.gz FYEBKMCUIFSZNT-VIFPVBQESA-N 1 0 178.235 0.775 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@H](N)[C@H](O)c1ccccc1 95832411 343688687 /nfs/dbraw/zinc/68/86/87/343688687.db2.gz DOMCJUZJXSQPNU-UJNFCWOMSA-N 1 0 180.251 0.395 50 0 ACAARO CN(C)C(=O)[C@H]([NH3+])c1ccccc1 95864181 343688711 /nfs/dbraw/zinc/68/87/11/343688711.db2.gz FYEBKMCUIFSZNT-SECBINFHSA-N 1 0 178.235 0.775 50 0 in-vitro ACAARO CC1(C)C[C@@H](CO)C[NH2+]1 95831157 343688732 /nfs/dbraw/zinc/68/87/32/343688732.db2.gz JMLPZBGYYFXYBO-ZCFIWIBFSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H]([NH3+])[C@@H](N)[C@H](O)c1ccccc1 95832413 343688797 /nfs/dbraw/zinc/68/87/97/343688797.db2.gz DOMCJUZJXSQPNU-FXBDTBDDSA-N 1 0 180.251 0.395 50 0 ACAARO CN(C)c1noc(C2CC[NH2+]CC2)n1 95883441 343689093 /nfs/dbraw/zinc/68/90/93/343689093.db2.gz STXBTTYNIARXAD-UHFFFAOYSA-N 1 0 196.254 0.603 50 0 in-vitro ACAARO CC1(C)CC[C@@H](C[NH3+])O1 95884034 343689127 /nfs/dbraw/zinc/68/91/27/343689127.db2.gz DSYSNXJLIPLUNU-LURJTMIESA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CCC1(CC)C[NH2+]CC[S@@]1=O 95883477 343689172 /nfs/dbraw/zinc/68/91/72/343689172.db2.gz PBFHCDHJDQMZAZ-LLVKDONJSA-N 1 0 175.297 0.897 50 0 in-vitro ACAARO CC1(C)[C@@H](O)C[C@H]1[NH3+] 95883964 343689183 /nfs/dbraw/zinc/68/91/83/343689183.db2.gz MLXIQOVWRZVXSV-UHNVWZDZSA-N 1 0 115.176 0.105 50 0 in-vitro ACAARO CN(C)c1noc([C@H]2CCC[NH2+]2)n1 95883438 343689229 /nfs/dbraw/zinc/68/92/29/343689229.db2.gz DHXLEVPVBKFTTR-ZCFIWIBFSA-N 1 0 182.227 0.560 50 0 in-vitro ACAARO CC(C)S(=O)(=O)[C@@H]1CC[NH2+]C1 95908516 343689234 /nfs/dbraw/zinc/68/92/34/343689234.db2.gz NPQVPIJXGICUEI-SSDOTTSWSA-N 1 0 177.269 0.172 50 0 ACAARO CN(C)c1noc([C@@H]2CCC[NH2+]2)n1 95883437 343689246 /nfs/dbraw/zinc/68/92/46/343689246.db2.gz DHXLEVPVBKFTTR-LURJTMIESA-N 1 0 182.227 0.560 50 0 in-vitro ACAARO Cc1cc2ncc3c(n2n1)CC[NH2+]C3 95908660 343689272 /nfs/dbraw/zinc/68/92/72/343689272.db2.gz BIZHUZDBEIGYLH-UHFFFAOYSA-N 1 0 188.234 0.683 50 0 ACAARO CC1(C)CC[C@H](C[NH3+])O1 95884033 343689281 /nfs/dbraw/zinc/68/92/81/343689281.db2.gz DSYSNXJLIPLUNU-ZCFIWIBFSA-N 1 0 129.203 0.903 50 0 in-vitro ACAARO CCC1(CC)C[NH2+]CC[S@]1=O 95883478 343689282 /nfs/dbraw/zinc/68/92/82/343689282.db2.gz PBFHCDHJDQMZAZ-NSHDSACASA-N 1 0 175.297 0.897 50 0 in-vitro ACAARO Cc1cc2ncc(CCC[NH3+])cn2n1 95908659 343689291 /nfs/dbraw/zinc/68/92/91/343689291.db2.gz CBPLXPAFFFWVGE-UHFFFAOYSA-N 1 0 190.250 0.929 50 0 ACAARO C=CC(=O)NC[NH+]1CCCC1 96026619 343692222 /nfs/dbraw/zinc/69/22/22/343692222.db2.gz GLGSJQNNCJRFHZ-UHFFFAOYSA-N 1 0 154.213 0.342 50 0 ACAARO C=CC(=O)NC[NH+](CC)CC 96026607 343692457 /nfs/dbraw/zinc/69/24/57/343692457.db2.gz ZAJDVLMXBATHQI-UHFFFAOYSA-N 1 0 156.229 0.588 50 0 ACAARO C[NH2+]CC(C)(C)F 96028944 343692753 /nfs/dbraw/zinc/69/27/53/343692753.db2.gz PGSSCKBWEIHNSR-UHFFFAOYSA-N 1 0 105.156 0.954 50 0 ACAARO CC1(C)C[C@H](C[NH3+])CO1 96032221 343693266 /nfs/dbraw/zinc/69/32/66/343693266.db2.gz UGPCKAQIDRPZDB-ZCFIWIBFSA-N 1 0 129.203 0.760 50 0 ACAARO CC1(C)C[C@@H](C[NH3+])CO1 96032222 343693268 /nfs/dbraw/zinc/69/32/68/343693268.db2.gz UGPCKAQIDRPZDB-LURJTMIESA-N 1 0 129.203 0.760 50 0 ACAARO CC1(C)C[C@@H]([NH3+])CO1 96032220 343693371 /nfs/dbraw/zinc/69/33/71/343693371.db2.gz KBEFRPWLPUMNCO-RXMQYKEDSA-N 1 0 115.176 0.513 50 0 ACAARO CC1(C)CC[C@@H]([NH3+])CO1 96032266 343693523 /nfs/dbraw/zinc/69/35/23/343693523.db2.gz MJSLAFYBMVDJDK-ZCFIWIBFSA-N 1 0 129.203 0.903 50 0 ACAARO CC1(C)CC[C@H]([NH3+])CO1 96032265 343693539 /nfs/dbraw/zinc/69/35/39/343693539.db2.gz MJSLAFYBMVDJDK-LURJTMIESA-N 1 0 129.203 0.903 50 0 ACAARO Cc1cc(O[C@@H]2CC[NH2+]C2)cc(=O)o1 96034694 343694316 /nfs/dbraw/zinc/69/43/16/343694316.db2.gz XAFJHSWQWUXNRB-MRVPVSSYSA-N 1 0 195.218 0.689 50 0 ACAARO Cc1cc(O[C@H]2CC[NH2+]C2)cc(=O)o1 96034695 343694377 /nfs/dbraw/zinc/69/43/77/343694377.db2.gz XAFJHSWQWUXNRB-QMMMGPOBSA-N 1 0 195.218 0.689 50 0 ACAARO Cc1cc(OC2C[NH2+]C2)cc(=O)o1 96034692 343694553 /nfs/dbraw/zinc/69/45/53/343694553.db2.gz URPCEVQQXFJZGV-UHFFFAOYSA-N 1 0 181.191 0.299 50 0 ACAARO CN(C)Cc1ncn2c1C[NH2+]CCC2 96259210 343694846 /nfs/dbraw/zinc/69/48/46/343694846.db2.gz BKSJPSVERRSLKO-UHFFFAOYSA-N 1 0 194.282 0.438 50 0 ACAARO CN1CC[NH2+]Cc2cccnc21 96260838 343695000 /nfs/dbraw/zinc/69/50/00/343695000.db2.gz UFQXWWKYVBMLOE-UHFFFAOYSA-N 1 0 163.224 0.621 50 0 in-vitro ACAARO CCc1ncc2c(n1)CC[NH2+]C2 96517160 343697612 /nfs/dbraw/zinc/69/76/12/343697612.db2.gz WDJNDQGEKXHNNJ-UHFFFAOYSA-N 1 0 163.224 0.685 50 0 in-vitro ACAARO Cc1nc([C@H]2CC[NH2+]C2)no1 96862029 343701163 /nfs/dbraw/zinc/70/11/63/343701163.db2.gz RFNIUBLYJWOZHO-LURJTMIESA-N 1 0 153.185 0.455 50 0 ACAARO CCC12CN3CC[N@H+](CC(C3)C1=O)C2 96905016 343701271 /nfs/dbraw/zinc/70/12/71/343701271.db2.gz UUKFJOGVNIJILH-UHFFFAOYSA-N 1 0 194.278 0.213 50 0 in-vitro ACAARO C[C@H]1[NH2+]CCO[C@]1(O)c1ccccc1 97054373 343701772 /nfs/dbraw/zinc/70/17/72/343701772.db2.gz FOJGZKHUZOIFKX-KOLCDFICSA-N 1 0 193.246 0.840 50 0 ACAARO C[C@H]1C[C@@H]1C[N@H+](C)CC(=O)N(C)C 97105592 343701887 /nfs/dbraw/zinc/70/18/87/343701887.db2.gz AVIRGOOLHIXTQY-DTWKUNHWSA-N 1 0 184.283 0.662 50 0 ACAARO C[C@H]1C[C@H]1C[N@H+](C)CC(=O)N(C)C 97105595 343701933 /nfs/dbraw/zinc/70/19/33/343701933.db2.gz AVIRGOOLHIXTQY-IUCAKERBSA-N 1 0 184.283 0.662 50 0 ACAARO C[C@H]1[NH2+]CCO[C@@]1(O)c1ccccc1 97054364 343701950 /nfs/dbraw/zinc/70/19/50/343701950.db2.gz FOJGZKHUZOIFKX-MWLCHTKSSA-N 1 0 193.246 0.840 50 0 ACAARO CCn1cc([C@@H]2C[NH2+]CCO2)cn1 97139117 343702074 /nfs/dbraw/zinc/70/20/74/343702074.db2.gz NNXXVEMRVABLIR-VIFPVBQESA-N 1 0 181.239 0.564 50 0 in-vitro ACAARO O[C@@]1(C(F)(F)F)CC[NH2+]C[C@H]1F 97759082 343703780 /nfs/dbraw/zinc/70/37/80/343703780.db2.gz KJZOLOJJHHQFKF-UHNVWZDZSA-N 1 0 187.136 0.611 50 0 ACAARO Cc1cc(N2CCC[C@H]([NH3+])C2)n(C)n1 98095617 343704674 /nfs/dbraw/zinc/70/46/74/343704674.db2.gz WLVMDEVHFRJOQE-VIFPVBQESA-N 1 0 194.282 0.656 50 0 in-vitro ACAARO CC(C)c1noc([C@]2(O)CC[NH2+]C2)n1 98095751 343705357 /nfs/dbraw/zinc/70/53/57/343705357.db2.gz UVFFEVXYPCMTRZ-VIFPVBQESA-N 1 0 197.238 0.374 50 0 ACAARO C[C@H]1CC[N@H+](CCN)C[C@@H]1C 98095708 343705470 /nfs/dbraw/zinc/70/54/70/343705470.db2.gz XNFAUIBXZFTKBP-IUCAKERBSA-N 1 0 156.273 0.923 50 0 in-vitro ACAARO Cc1cc(N2CCC[C@@H]([NH3+])C2)n(C)n1 98095618 343705509 /nfs/dbraw/zinc/70/55/09/343705509.db2.gz WLVMDEVHFRJOQE-SECBINFHSA-N 1 0 194.282 0.656 50 0 in-vitro ACAARO CC(C)[C@H]1[NH2+]CC[C@@H]1O 98095729 343705529 /nfs/dbraw/zinc/70/55/29/343705529.db2.gz WNZTWIKITBBRJT-NKWVEPMBSA-N 1 0 129.203 0.365 50 0 ACAARO CCn1nccc1[C@@H]1OCC[C@H]1C[NH3+] 98095777 343705568 /nfs/dbraw/zinc/70/55/68/343705568.db2.gz DLWWPQSCTUCBBK-WCBMZHEXSA-N 1 0 195.266 0.939 50 0 ACAARO C[C@H]1OCC[C@]12C[NH2+]CCO2 98210099 343706960 /nfs/dbraw/zinc/70/69/60/343706960.db2.gz QFQKSHBHJGQPPT-SFYZADRCSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO C[C@H]1OCC[C@@]12C[NH2+]CCO2 98210097 343707020 /nfs/dbraw/zinc/70/70/20/343707020.db2.gz QFQKSHBHJGQPPT-HTQZYQBOSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO CCC1([NH2+]C)COC1 98214189 343707457 /nfs/dbraw/zinc/70/74/57/343707457.db2.gz YIVXCHVNGUOMHA-UHFFFAOYSA-N 1 0 115.176 0.385 50 0 ACAARO CCc1nnc([C@@H]2C[NH2+]CCO2)o1 98210279 343707492 /nfs/dbraw/zinc/70/74/92/343707492.db2.gz XOSGOQVMKNGIAK-LURJTMIESA-N 1 0 183.211 0.293 50 0 in-vitro ACAARO CC(C)c1nnc([C@H]2C[NH2+]CCO2)o1 98210282 343707503 /nfs/dbraw/zinc/70/75/03/343707503.db2.gz GRQNWDCWTHWYSC-SSDOTTSWSA-N 1 0 197.238 0.854 50 0 in-vitro ACAARO COC[C@]1(C)COCC[NH2+]1 98213650 343707513 /nfs/dbraw/zinc/70/75/13/343707513.db2.gz XXTSZXIAVAGCRD-SSDOTTSWSA-N 1 0 145.202 0.011 50 0 ACAARO CCc1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 98213706 343707532 /nfs/dbraw/zinc/70/75/32/343707532.db2.gz CWEGJDPWSAGFTA-PHDIDXHHSA-N 1 0 183.211 0.027 50 0 ACAARO CCc1noc([C@@H]2C[C@H](O)C[NH2+]2)n1 98213704 343707548 /nfs/dbraw/zinc/70/75/48/343707548.db2.gz CWEGJDPWSAGFTA-WDSKDSINSA-N 1 0 183.211 0.027 50 0 ACAARO CCc1nnc2ccc(C[NH3+])cn12 98214117 343707571 /nfs/dbraw/zinc/70/75/71/343707571.db2.gz XVNZZDCDCKDXDT-UHFFFAOYSA-N 1 0 176.223 0.750 50 0 ACAARO CCc1noc([C@@H]2C[C@@H](O)C[NH2+]2)n1 98213705 343707582 /nfs/dbraw/zinc/70/75/82/343707582.db2.gz CWEGJDPWSAGFTA-RITPCOANSA-N 1 0 183.211 0.027 50 0 ACAARO CC(C)c1nnc([C@@H]2C[NH2+]CCO2)o1 98210281 343707587 /nfs/dbraw/zinc/70/75/87/343707587.db2.gz GRQNWDCWTHWYSC-ZETCQYMHSA-N 1 0 197.238 0.854 50 0 in-vitro ACAARO CCc1noc([C@H]2C[C@H](O)C[NH2+]2)n1 98210113 343707612 /nfs/dbraw/zinc/70/76/12/343707612.db2.gz CWEGJDPWSAGFTA-NTSWFWBYSA-N 1 0 183.211 0.027 50 0 ACAARO CCC1=NC2(CC[NH2+]CC2)C(=O)N1C 98213819 343707645 /nfs/dbraw/zinc/70/76/45/343707645.db2.gz PCBQBDVHXJTQQA-UHFFFAOYSA-N 1 0 195.266 0.389 50 0 ACAARO CC(C)Oc1cc(C[NH3+])ncn1 98214006 343707659 /nfs/dbraw/zinc/70/76/59/343707659.db2.gz DWTURWRVTCCMIS-UHFFFAOYSA-N 1 0 167.212 0.723 50 0 ACAARO COC[C@@]1(C)COCC[NH2+]1 98213649 343707682 /nfs/dbraw/zinc/70/76/82/343707682.db2.gz XXTSZXIAVAGCRD-ZETCQYMHSA-N 1 0 145.202 0.011 50 0 ACAARO CC(C)Oc1nccc(C[NH3+])n1 98214035 343707715 /nfs/dbraw/zinc/70/77/15/343707715.db2.gz IKABMLSATSMTCO-UHFFFAOYSA-N 1 0 167.212 0.723 50 0 ACAARO C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](O)C2 100007346 343708242 /nfs/dbraw/zinc/70/82/42/343708242.db2.gz CYHOMWAPJJPNMW-JIGDXULJSA-N 1 0 141.214 0.604 50 0 biogenic,in-vivo ACAARO CN(C)C(=[NH2+])N(C)C 100009237 343708326 /nfs/dbraw/zinc/70/83/26/343708326.db2.gz KYVBNYUBXIEUFW-UHFFFAOYSA-N 1 0 115.180 0.044 50 0 in-vitro ACAARO COC(=O)[C@H]1CC[C@H]([NH3+])CC1 100007356 343708365 /nfs/dbraw/zinc/70/83/65/343708365.db2.gz FFKGMXGWLOPOAO-KNVOCYPGSA-N 1 0 157.213 0.677 50 0 in-vitro ACAARO C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](O)C2 100019971 343708992 /nfs/dbraw/zinc/70/89/92/343708992.db2.gz CYHOMWAPJJPNMW-RNLVFQAGSA-N 1 0 141.214 0.604 50 0 biogenic,in-vivo ACAARO C[NH+](C)[C@H]1CC[C@@H](O)CC1 100032880 343709321 /nfs/dbraw/zinc/70/93/21/343709321.db2.gz STNVXNYQNKDYBT-ZKCHVHJHSA-N 1 0 143.230 0.852 50 0 ACAARO C[C@]1(O)CC[C@@H]([NH3+])CC1 100049834 343709765 /nfs/dbraw/zinc/70/97/65/343709765.db2.gz KUKASNZJTIKRMH-KNVOCYPGSA-N 1 0 129.203 0.639 50 0 ACAARO C[C@]1(O)CC[C@H]([NH3+])CC1 100049833 343709803 /nfs/dbraw/zinc/70/98/03/343709803.db2.gz KUKASNZJTIKRMH-LJGSYFOKSA-N 1 0 129.203 0.639 50 0 in-vitro ACAARO C[N@@H+]1C[C@@H]2CCC[C@H](C1)[C@H]2O 100140867 343711756 /nfs/dbraw/zinc/71/17/56/343711756.db2.gz GTSORJFWHKEXQH-AYMMMOKOSA-N 1 0 155.241 0.709 50 0 ACAARO Cc1[nH+]cc(N)n1C[C@@H](C)O 100202649 343712685 /nfs/dbraw/zinc/71/26/85/343712685.db2.gz VVFIBQVZLQFZSZ-RXMQYKEDSA-N 1 0 155.201 0.155 50 0 in-vitro ACAARO Cc1[nH+]cc(N)n1C[C@H](C)O 100202653 343712738 /nfs/dbraw/zinc/71/27/38/343712738.db2.gz VVFIBQVZLQFZSZ-YFKPBYRVSA-N 1 0 155.201 0.155 50 0 in-vitro ACAARO CO[C@@H]1[C@H]2CC[C@@H]1C[NH2+]C2 100294817 343714760 /nfs/dbraw/zinc/71/47/60/343714760.db2.gz AOTPNGCEROUNSR-JIGDXULJSA-N 1 0 141.214 0.631 50 0 ACAARO CCn1cc[nH+]c1N 100286937 343714762 /nfs/dbraw/zinc/71/47/62/343714762.db2.gz XGFZAPBAXWBESG-UHFFFAOYSA-N 1 0 111.148 0.485 50 0 in-vitro ACAARO CC1=CN2C[C@H](O)C[NH+]=C2C=C1 100441106 343716950 /nfs/dbraw/zinc/71/69/50/343716950.db2.gz ZXHXLZFWEYQXTL-MRVPVSSYSA-N 1 0 164.208 0.535 50 0 in-vitro ACAARO CC1=CN2C[C@@H](O)C[NH+]=C2C=C1 100441107 343716993 /nfs/dbraw/zinc/71/69/93/343716993.db2.gz ZXHXLZFWEYQXTL-QMMMGPOBSA-N 1 0 164.208 0.535 50 0 in-vitro ACAARO CCc1[nH+]cn(C)c1N 100494982 343717860 /nfs/dbraw/zinc/71/78/60/343717860.db2.gz WLQVTDBPTNXMMB-UHFFFAOYSA-N 1 0 125.175 0.565 50 0 in-vitro ACAARO CC1=CC2=[NH+]C[C@@H](O)CN2C=C1 100612860 343719018 /nfs/dbraw/zinc/71/90/18/343719018.db2.gz XQLHYHNIRQARDR-MRVPVSSYSA-N 1 0 164.208 0.535 50 0 biogenic ACAARO CC1=CC2=[NH+]C[C@H](O)CN2C=C1 100612857 343718998 /nfs/dbraw/zinc/71/89/98/343718998.db2.gz XQLHYHNIRQARDR-QMMMGPOBSA-N 1 0 164.208 0.535 50 0 biogenic ACAARO [NH3+][C@H]1[C@H]2CCCC[C@@H]2C[C@H]1O 100913585 343721130 /nfs/dbraw/zinc/72/11/30/343721130.db2.gz WLWLJSCPMJUGAL-XAVMHZPKSA-N 1 0 155.241 0.885 50 0 ACAARO C[N@@H+]1CC(C(N)=S)=C(N)C1(C)C 101101010 343722533 /nfs/dbraw/zinc/72/25/33/343722533.db2.gz KXYANZQOMCFPHS-UHFFFAOYSA-N 1 0 185.296 0.209 50 0 ACAARO C[C@@H]1CN2CCCC[C@H]2C[NH2+]1 101418930 343723551 /nfs/dbraw/zinc/72/35/51/343723551.db2.gz NFFVWTLRGWWYDK-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO C[C@H]1COCCN1[C@H](C)C[NH3+] 101381610 343723624 /nfs/dbraw/zinc/72/36/24/343723624.db2.gz RYFDZQWYSMSMKS-SFYZADRCSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@H]1CN2CCCC[C@H]2C[NH2+]1 101418927 343723667 /nfs/dbraw/zinc/72/36/67/343723667.db2.gz NFFVWTLRGWWYDK-IUCAKERBSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC[C@H]1C[NH2+]CCN1C[C@H](C)O 101514104 343724084 /nfs/dbraw/zinc/72/40/84/343724084.db2.gz VTDXGKKJBHENSM-IUCAKERBSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1 101527918 343724230 /nfs/dbraw/zinc/72/42/30/343724230.db2.gz VJSUDAXXXXTREH-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CCN1C[C@H](C)O 101514100 343724241 /nfs/dbraw/zinc/72/42/41/343724241.db2.gz VTDXGKKJBHENSM-DTWKUNHWSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@H](O)[C@@H]1C[C@H](C)CC[NH2+]1 101631310 343724436 /nfs/dbraw/zinc/72/44/36/343724436.db2.gz SXOPRLKJOAEPBP-CSMHCCOUSA-N 1 0 143.230 0.755 50 0 in-vitro ACAARO C[C@H](O)[C@H]1C[C@H](C)CC[NH2+]1 101631318 343724453 /nfs/dbraw/zinc/72/44/53/343724453.db2.gz SXOPRLKJOAEPBP-GJMOJQLCSA-N 1 0 143.230 0.755 50 0 in-vitro ACAARO F[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]21 101714202 343724943 /nfs/dbraw/zinc/72/49/43/343724943.db2.gz PKNAKQWUHJAFLA-DSYKOEDSSA-N 1 0 129.178 0.954 50 0 in-vitro ACAARO C[C@H]1CN(C2CC2)C[C@H]1[NH3+] 101662112 343724947 /nfs/dbraw/zinc/72/49/47/343724947.db2.gz KJSCOXHVQCIXQY-POYBYMJQSA-N 1 0 140.230 0.428 50 0 in-vitro ACAARO CCO[C@@H]1C[C@@H]([NH3+])[C@]12CCCO2 102134794 343725311 /nfs/dbraw/zinc/72/53/11/343725311.db2.gz VXTSEPDCQOGHJA-IWSPIJDZSA-N 1 0 171.240 0.672 50 0 in-vitro ACAARO CCO[C@@H]1C[C@H]([NH3+])[C@]12CCCO2 102134790 343725319 /nfs/dbraw/zinc/72/53/19/343725319.db2.gz VXTSEPDCQOGHJA-DJLDLDEBSA-N 1 0 171.240 0.672 50 0 in-vitro ACAARO C[C@H](CO)[NH2+]C1C[C@@H](C)O[C@H](C)C1 102231407 343725610 /nfs/dbraw/zinc/72/56/10/343725610.db2.gz VKCKFUNRTDLFLI-IWSPIJDZSA-N 1 0 187.283 0.913 50 0 ACAARO C[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 102205409 343725612 /nfs/dbraw/zinc/72/56/12/343725612.db2.gz PKBWQDVUWRDPSL-DJLDLDEBSA-N 1 0 155.241 0.709 50 0 ACAARO CCC[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O 102665116 343726131 /nfs/dbraw/zinc/72/61/31/343726131.db2.gz GFKQJIZVNYZKGS-MRVPVSSYSA-N 1 0 198.266 0.522 50 0 in-vitro ACAARO C[C@]1(O)C[C@H](C[NH3+])C1 103539734 343726888 /nfs/dbraw/zinc/72/68/88/343726888.db2.gz ZKOTWCOHRWHNHA-IZLXSQMJSA-N 1 0 115.176 0.106 50 0 ACAARO C[C@]1([NH3+])CC[C@H](O)CC1 103539513 343726932 /nfs/dbraw/zinc/72/69/32/343726932.db2.gz KVXJOQDOXLXUSA-LJGSYFOKSA-N 1 0 129.203 0.639 50 0 ACAARO C[C@]1(O)C[C@@H](C[NH3+])C1 103541238 343727170 /nfs/dbraw/zinc/72/71/70/343727170.db2.gz ZKOTWCOHRWHNHA-OLQVQODUSA-N 1 0 115.176 0.106 50 0 ACAARO CCc1c(C)n(O)c2c([n+]1=O)CCC2 103677892 343727535 /nfs/dbraw/zinc/72/75/35/343727535.db2.gz IOOCSGDXAVAVKX-UHFFFAOYSA-N 1 0 195.242 0.999 50 0 ACAARO Cc1c(C)[n+](=O)c2c(n1O)CCC2 103942135 343728138 /nfs/dbraw/zinc/72/81/38/343728138.db2.gz CQQVBJXDEIDSPF-UHFFFAOYSA-N 1 0 181.215 0.745 50 0 ACAARO Cc1c(N)cc[nH+]c1CO 104506970 343732029 /nfs/dbraw/zinc/73/20/29/343732029.db2.gz QEJVGEGUZOUHCE-UHFFFAOYSA-N 1 0 138.170 0.465 50 0 ACAARO CCCC[C@@](C)([NH3+])CO 104527008 343732365 /nfs/dbraw/zinc/73/23/65/343732365.db2.gz KIOCABJEBRVQNM-SSDOTTSWSA-N 1 0 131.219 0.886 50 0 ACAARO CC[C@@H]([NH3+])CF 104588964 343733511 /nfs/dbraw/zinc/73/35/11/343733511.db2.gz AZHRYGRHCHZJDC-SCSAIBSYSA-N 1 0 91.129 0.693 50 0 in-vitro ACAARO CC1(C)C[C@H](O)C[C@H]([NH3+])C1 104635940 343733996 /nfs/dbraw/zinc/73/39/96/343733996.db2.gz VPTMLCZYRTULJD-NKWVEPMBSA-N 1 0 143.230 0.885 50 0 ACAARO [NH3+][C@H]1CCC=CCC[C@H]1O 104634141 343734054 /nfs/dbraw/zinc/73/40/54/343734054.db2.gz FVPPTIGGPXYPJA-JGVFFNPUSA-N 1 0 141.214 0.805 50 0 ACAARO C[C@H]1CC[C@@H](CO)[NH2+]C1 104604177 343734093 /nfs/dbraw/zinc/73/40/93/343734093.db2.gz VYCVKOAZOFPRAY-BQBZGAKWSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H](CO)[C@@H]1CCCC[NH2+]1 104603339 343734147 /nfs/dbraw/zinc/73/41/47/343734147.db2.gz PBSQWFYZTKKZRE-SFYZADRCSA-N 1 0 143.230 0.757 50 0 ACAARO C[C@H]1CC[C@H](CO)[NH2+]C1 104604165 343734157 /nfs/dbraw/zinc/73/41/57/343734157.db2.gz VYCVKOAZOFPRAY-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@H]1COCC[C@@H]1C[NH3+] 104636368 343734167 /nfs/dbraw/zinc/73/41/67/343734167.db2.gz NJEBROTUBZVEGR-NKWVEPMBSA-N 1 0 129.203 0.618 50 0 in-vitro ACAARO CC(C)N1C[C@@H]2C[C@H]1C[NH2+]2 104626812 343734174 /nfs/dbraw/zinc/73/41/74/343734174.db2.gz FUMTXFNRSOTREL-YUMQZZPRSA-N 1 0 140.230 0.441 50 0 ACAARO CC1(C)[C@H]2C[NH2+][C@H](CO)[C@H]21 104618974 343734182 /nfs/dbraw/zinc/73/41/82/343734182.db2.gz XYHWQEDJUAJEAU-XVMARJQXSA-N 1 0 141.214 0.223 50 0 ACAARO CC1(C)C[C@H]([NH3+])C[C@@H](O)C1 104635938 343734188 /nfs/dbraw/zinc/73/41/88/343734188.db2.gz VPTMLCZYRTULJD-RNFRBKRXSA-N 1 0 143.230 0.885 50 0 ACAARO C[C@H](CO)[C@H]1CCCC[NH2+]1 104603349 343734224 /nfs/dbraw/zinc/73/42/24/343734224.db2.gz PBSQWFYZTKKZRE-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)CSC(=O)[C@@H]1[NH3+] 104645616 343734537 /nfs/dbraw/zinc/73/45/37/343734537.db2.gz DOLDBSBWZGOULN-BYPYZUCNSA-N 1 0 145.227 0.613 50 0 ACAARO CC1(C)CSC(=O)[C@H]1[NH3+] 104645618 343734550 /nfs/dbraw/zinc/73/45/50/343734550.db2.gz DOLDBSBWZGOULN-SCSAIBSYSA-N 1 0 145.227 0.613 50 0 ACAARO CC1(C[NH3+])N=N1 104648175 343734720 /nfs/dbraw/zinc/73/47/20/343734720.db2.gz RBEZPIXVRXSSDI-UHFFFAOYSA-N 1 0 85.110 0.127 50 0 in-vitro ACAARO O[C@@H]1CCC[C@H]2C[NH2+]C[C@H]12 104694022 343735258 /nfs/dbraw/zinc/73/52/58/343735258.db2.gz KYHMFVRVHASKGM-BIIVOSGPSA-N 1 0 141.214 0.367 50 0 ACAARO O[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 104694026 343735286 /nfs/dbraw/zinc/73/52/86/343735286.db2.gz KYHMFVRVHASKGM-BWZBUEFSSA-N 1 0 141.214 0.367 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Nc1ncc2c(n1)C[C@@H]1CC[C@H]2[NH2+]1 215683933 344391142 /nfs/dbraw/zinc/39/11/42/344391142.db2.gz IJAFYRDYHVMADW-CAHLUQPWSA-N 1 0 176.223 0.408 50 0 ACAARO COC(=O)C1([NH3+])CC(C)C1 216161201 344395233 /nfs/dbraw/zinc/39/52/33/344395233.db2.gz JFZHYLBIXCBNRZ-UHFFFAOYSA-N 1 0 143.186 0.287 50 0 ACAARO CC[C@](C)(CO)C[N@@H+]1CC[C@@H](O)C1 216252772 344396091 /nfs/dbraw/zinc/39/60/91/344396091.db2.gz VLDARPZOBMMLOB-ZJUUUORDSA-N 1 0 187.283 0.462 50 0 in-vitro ACAARO CC[C@@](C)(CO)C[N@@H+]1CC[C@@H](O)C1 216252731 344396159 /nfs/dbraw/zinc/39/61/59/344396159.db2.gz VLDARPZOBMMLOB-NXEZZACHSA-N 1 0 187.283 0.462 50 0 in-vitro ACAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH3+] 216637950 344398446 /nfs/dbraw/zinc/39/84/46/344398446.db2.gz LZNKBIFLXUQUBU-WPRPVWTQSA-N 1 0 195.266 0.826 50 0 ACAARO C[C@H]1CO[C@H](C)CN1CC[NH3+] 216613656 344398631 /nfs/dbraw/zinc/39/86/31/344398631.db2.gz QHSYDZMEMUAPCN-JGVFFNPUSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[N@@H+]1CCNCCC1(C)C 218561202 344413735 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[NH3+][C@@H]1COc2c(O)cccc2C1 225062017 344476122 /nfs/dbraw/zinc/47/61/22/344476122.db2.gz VPECWJIAFIJTSA-ZETCQYMHSA-N 1 0 165.192 0.654 50 0 ACAARO [NH3+][C@H]1COc2c(O)cccc2C1 225061972 344476320 /nfs/dbraw/zinc/47/63/20/344476320.db2.gz VPECWJIAFIJTSA-SSDOTTSWSA-N 1 0 165.192 0.654 50 0 ACAARO C[C@@H]1C[C@H](N2CCCC2)C[NH2+]1 225146648 344477191 /nfs/dbraw/zinc/47/71/91/344477191.db2.gz CMBGIRGMEDANQP-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CC1(C)NC(=O)CC[C@H]1[NH3+] 225392080 344480486 /nfs/dbraw/zinc/48/04/86/344480486.db2.gz CBZJRZDJIJZFOK-RXMQYKEDSA-N 1 0 142.202 0.002 50 0 in-vitro ACAARO CC1(C)NC(=O)CC[C@@H]1[NH3+] 225392113 344480627 /nfs/dbraw/zinc/48/06/27/344480627.db2.gz CBZJRZDJIJZFOK-YFKPBYRVSA-N 1 0 142.202 0.002 50 0 in-vitro ACAARO CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 225413377 344481249 /nfs/dbraw/zinc/48/12/49/344481249.db2.gz TZOOLEYBBCCZBO-VCQFTWBDSA-N 1 0 153.225 0.629 50 0 in-vitro ACAARO C[C@H]1[NH2+]CC[C@@H]1N1CCCC1 225747460 344485856 /nfs/dbraw/zinc/48/58/56/344485856.db2.gz FALPABWKFRGRDL-BDAKNGLRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO C[C@H]1[NH2+]CC[C@H]1N1CCCC1 225747510 344485964 /nfs/dbraw/zinc/48/59/64/344485964.db2.gz FALPABWKFRGRDL-RKDXNWHRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO CN1CC[C@@H]2CC[C@H](C1)[NH2+]2 225807393 344488146 /nfs/dbraw/zinc/48/81/46/344488146.db2.gz NLRPLOMLCUJBET-JGVFFNPUSA-N 1 0 140.230 0.443 50 0 ACAARO CC1(C)[NH2+]CC[C@@H]1N1CC[C@@H](O)C1 226620635 344508408 /nfs/dbraw/zinc/50/84/08/344508408.db2.gz BSGWXBLKTVSRLJ-BDAKNGLRSA-N 1 0 184.283 0.194 50 0 ACAARO CC1(C)[NH2+]CC[C@@H]1N1CCC[C@@H](O)C1 226620578 344508440 /nfs/dbraw/zinc/50/84/40/344508440.db2.gz IWPLPUHCKYAKQK-ZJUUUORDSA-N 1 0 198.310 0.584 50 0 ACAARO CC1(C)[NH2+]CC[C@H]1N1CCC[C@@H](O)C1 226620584 344508469 /nfs/dbraw/zinc/50/84/69/344508469.db2.gz IWPLPUHCKYAKQK-NXEZZACHSA-N 1 0 198.310 0.584 50 0 ACAARO CC1(C)[NH2+]CC[C@H]1N1CC[C@@H](O)C1 226620641 344508737 /nfs/dbraw/zinc/50/87/37/344508737.db2.gz BSGWXBLKTVSRLJ-RKDXNWHRSA-N 1 0 184.283 0.194 50 0 ACAARO CO[C@@H]1CCC[C@H]([C@@H]([NH3+])CO)C1 226935462 344517510 /nfs/dbraw/zinc/51/75/10/344517510.db2.gz AWDCQDLJVRLGDA-YIZRAAEISA-N 1 0 173.256 0.511 50 0 ACAARO CCn1cc([C@@H]2OCC[C@H]2[NH3+])cn1 229674415 344610973 /nfs/dbraw/zinc/61/09/73/344610973.db2.gz UINZMOADFXRHMR-BDAKNGLRSA-N 1 0 181.239 0.692 50 0 ACAARO C[C@@]1(N2CCOCC2)CC[NH2+]C1 229794800 344616109 /nfs/dbraw/zinc/61/61/09/344616109.db2.gz YGGJRODJLMWJBQ-SECBINFHSA-N 1 0 170.256 0.071 50 0 ACAARO C[N@@H+]1CC[C@H](O)[C@@H]2CCC[C@H]21 230039401 344624863 /nfs/dbraw/zinc/62/48/63/344624863.db2.gz SYOFKZCZCYMACF-HLTSFMKQSA-N 1 0 155.241 0.852 50 0 ACAARO CC1(O)CC2(C[NH2+]C2)C1 230555955 344636999 /nfs/dbraw/zinc/63/69/99/344636999.db2.gz DIBKPCOOJLLKDM-UHFFFAOYSA-N 1 0 127.187 0.121 50 0 in-vitro ACAARO COC(=O)CC1CC(C[NH3+])C1 230569608 344637529 /nfs/dbraw/zinc/63/75/29/344637529.db2.gz ANLUNYPYQKQBTL-UHFFFAOYSA-N 1 0 157.213 0.534 50 0 in-vitro ACAARO Cc1cc2c[nH+]c(N)nc2[nH]1 230570210 344637576 /nfs/dbraw/zinc/63/75/76/344637576.db2.gz GOCNRYDZTVESBF-UHFFFAOYSA-N 1 0 148.169 0.849 50 0 ACAARO c1c(C2CC2)nnn1[C@@H]1CC[NH2+]C1 231565327 344654515 /nfs/dbraw/zinc/65/45/15/344654515.db2.gz CDMVQRUGJHHERZ-MRVPVSSYSA-N 1 0 178.239 0.690 50 0 ACAARO c1c(C2CC2)nnn1[C@H]1CC[NH2+]C1 231565348 344654689 /nfs/dbraw/zinc/65/46/89/344654689.db2.gz CDMVQRUGJHHERZ-QMMMGPOBSA-N 1 0 178.239 0.690 50 0 ACAARO C[C@@H]1C[NH2+]C[C@H](N2CCCCC2=O)C1 232078588 344671327 /nfs/dbraw/zinc/67/13/27/344671327.db2.gz XNHYFVRFHZNZNS-VHSXEESVSA-N 1 0 196.294 0.997 50 0 ACAARO [NH3+]Cc1ccn(-c2cccnc2)n1 232083426 344671758 /nfs/dbraw/zinc/67/17/58/344671758.db2.gz NJDGSGMIKZNVLW-UHFFFAOYSA-N 1 0 174.207 0.726 50 0 ACAARO CC(C)(C)NC(=O)NCC1([NH3+])CCC1 232504978 344680316 /nfs/dbraw/zinc/68/03/16/344680316.db2.gz JJGYETNMLDXBJJ-UHFFFAOYSA-N 1 0 199.298 0.966 50 0 ACAARO CCNC(=O)NCC1([NH3+])CCC1 233479591 344702176 /nfs/dbraw/zinc/70/21/76/344702176.db2.gz 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0 ACAARO O[C@H]1C[C@@H]2CCC[C@H](C[C@@H]1O)[NH2+]2 601012441 346918589 /nfs/dbraw/zinc/91/85/89/346918589.db2.gz JHTJCSRBJFPJTR-KZVJFYERSA-N 1 0 171.240 0.013 50 0 ACAARO C[C@@H]1[NH2+]CC[C@H]1N1CCC(O)CC1 601012407 346918634 /nfs/dbraw/zinc/91/86/34/346918634.db2.gz FWWANGSNOPNAEA-WCBMZHEXSA-N 1 0 184.283 0.194 50 0 ACAARO C[C@H]1CN(CC2CC2)C(=O)CC[NH2+]1 601012695 346918637 /nfs/dbraw/zinc/91/86/37/346918637.db2.gz XYLNHRMTZDBNCW-QMMMGPOBSA-N 1 0 182.267 0.607 50 0 ACAARO CCO[C@H]1CC[NH2+][C@H]1C 601012360 346918664 /nfs/dbraw/zinc/91/86/64/346918664.db2.gz BMIFAMPFDDQXJO-BQBZGAKWSA-N 1 0 129.203 0.773 50 0 ACAARO O[C@@H]1C[C@@H]2CCC[C@H](C[C@H]1O)[NH2+]2 601012437 346918678 /nfs/dbraw/zinc/91/86/78/346918678.db2.gz JHTJCSRBJFPJTR-BZNPZCIMSA-N 1 0 171.240 0.013 50 0 ACAARO CC1(C)CN(CC2CC2)C(=O)CC[NH2+]1 601012544 346918685 /nfs/dbraw/zinc/91/86/85/346918685.db2.gz JKPHRLKTBMGJAX-UHFFFAOYSA-N 1 0 196.294 0.997 50 0 ACAARO O[C@H]1C[C@@H]2CCC[C@H](C[C@H]1O)[NH2+]2 601012539 346918692 /nfs/dbraw/zinc/91/86/92/346918692.db2.gz JHTJCSRBJFPJTR-SPJNRGJMSA-N 1 0 171.240 0.013 50 0 ACAARO CCO[C@@H]1CC[NH2+][C@@H]1C 601012362 346918729 /nfs/dbraw/zinc/91/87/29/346918729.db2.gz BMIFAMPFDDQXJO-RNFRBKRXSA-N 1 0 129.203 0.773 50 0 ACAARO C[C@@H]1CN(CC2CC2)C(=O)CC[NH2+]1 601012694 346918792 /nfs/dbraw/zinc/91/87/92/346918792.db2.gz XYLNHRMTZDBNCW-MRVPVSSYSA-N 1 0 182.267 0.607 50 0 ACAARO C[C@H]1[NH2+]CC[C@@H]1N1CCC(O)CC1 601012406 346918805 /nfs/dbraw/zinc/91/88/05/346918805.db2.gz FWWANGSNOPNAEA-SCZZXKLOSA-N 1 0 184.283 0.194 50 0 ACAARO CCO[C@@H]1CC[NH2+][C@H]1C 601012361 346918810 /nfs/dbraw/zinc/91/88/10/346918810.db2.gz BMIFAMPFDDQXJO-NKWVEPMBSA-N 1 0 129.203 0.773 50 0 ACAARO CCO[C@H]1CC[NH2+][C@@H]1C 601012363 346918822 /nfs/dbraw/zinc/91/88/22/346918822.db2.gz BMIFAMPFDDQXJO-RQJHMYQMSA-N 1 0 129.203 0.773 50 0 ACAARO C[C@H]1[NH2+]CC[C@H]1N1CCC(O)CC1 601012405 346918825 /nfs/dbraw/zinc/91/88/25/346918825.db2.gz FWWANGSNOPNAEA-PSASIEDQSA-N 1 0 184.283 0.194 50 0 ACAARO COC(=O)[C@]1(C[NH3+])C[C@H]1C1CC1 601014759 346919288 /nfs/dbraw/zinc/91/92/88/346919288.db2.gz BPYFLUFKCCEQNW-CBAPKCEASA-N 1 0 169.224 0.534 50 0 ACAARO C1COC2CC(C2)[NH2+]1 601014792 346919310 /nfs/dbraw/zinc/91/93/10/346919310.db2.gz KORRWDHEPGILAU-UHFFFAOYSA-N 1 0 113.160 0.137 50 0 ACAARO COC(=O)[C@]1(C[NH3+])C[C@@H]1C1CC1 601014758 346919539 /nfs/dbraw/zinc/91/95/39/346919539.db2.gz BPYFLUFKCCEQNW-APPZFPTMSA-N 1 0 169.224 0.534 50 0 ACAARO [NH3+]C[C@@H]1CCC2(CCOCC2)CO1 616583311 347105663 /nfs/dbraw/zinc/10/56/63/347105663.db2.gz YMVZFAGDYFTOHC-VIFPVBQESA-N 1 0 185.267 0.921 50 0 ACAARO [NH3+]C[C@H]1CCC2(CCOCC2)CO1 616583302 347106125 /nfs/dbraw/zinc/10/61/25/347106125.db2.gz YMVZFAGDYFTOHC-SECBINFHSA-N 1 0 185.267 0.921 50 0 ACAARO C[C@@H]1C[C@@H](O)CC[NH2+]1 33574 351267799 /nfs/dbraw/zinc/26/77/99/351267799.db2.gz DSVHVLZINDRYQA-RITPCOANSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO C[C@@H]1C[C@H](O)CC[NH2+]1 33576 351268145 /nfs/dbraw/zinc/26/81/45/351268145.db2.gz DSVHVLZINDRYQA-PHDIDXHHSA-N 1 0 115.176 0.119 50 0 in-vitro ACAARO c1nc(CC2CC[NH2+]CC2)c[nH]1 5777 351268609 /nfs/dbraw/zinc/26/86/09/351268609.db2.gz MCNGUYXRBCIGOV-UHFFFAOYSA-N 1 0 165.240 0.952 50 0 in-vitro ACAARO O=c1cccc2n1C[C@H]1C[NH2+]C[C@@H]2C1 49583 351268491 /nfs/dbraw/zinc/26/84/91/351268491.db2.gz ANJTVLIZGCUXLD-BDAKNGLRSA-N 1 0 190.246 0.555 50 0 biogenic,world ACAARO C[C@@H]1C[NH2+]C(C)(C)[C@@H](O)C1 93407 351269223 /nfs/dbraw/zinc/26/92/23/351269223.db2.gz FRFZTZXIGRVZMF-BQBZGAKWSA-N 1 0 143.230 0.755 50 0 ACAARO O[C@@]12CCCC[C@@H]1C[NH2+]CC2 103395 351270679 /nfs/dbraw/zinc/27/06/79/351270679.db2.gz JCCPJOSXNCXEPE-RKDXNWHRSA-N 1 0 155.241 0.901 50 0 biogenic,in-vitro ACAARO O[C@H]1C[NH+]2CCC1CC2 158080 351271534 /nfs/dbraw/zinc/27/15/34/351271534.db2.gz IVLICPVPXWEGCA-ZETCQYMHSA-N 1 0 127.187 0.073 50 0 in-vitro ACAARO O[C@@H]1C[NH+]2CCC1CC2 158082 351271627 /nfs/dbraw/zinc/27/16/27/351271627.db2.gz IVLICPVPXWEGCA-SSDOTTSWSA-N 1 0 127.187 0.073 50 0 in-vitro ACAARO OCC[C@@H]1CCCC[NH2+]1 157541 351271789 /nfs/dbraw/zinc/27/17/89/351271789.db2.gz PTHDBHDZSMGHKF-ZETCQYMHSA-N 1 0 129.203 0.511 50 0 biogenic,in-vitro ACAARO C[NH+](C)CCOC(=O)c1ccco1 187994 351273269 /nfs/dbraw/zinc/27/32/69/351273269.db2.gz OVRDRDFVGLJLNB-UHFFFAOYSA-N 1 0 183.207 0.998 50 0 biogenic ACAARO CN1CC2(C)C[NH+](C)CC(C)(C1)C2O 209546 351273600 /nfs/dbraw/zinc/27/36/00/351273600.db2.gz LWCZGAZGRBEYRS-UHFFFAOYSA-N 1 0 198.310 0.251 50 0 biogenic ACAARO O[C@]12CCCC[C@@H]1C[NH2+]CC2 201439 351273745 /nfs/dbraw/zinc/27/37/45/351273745.db2.gz JCCPJOSXNCXEPE-BDAKNGLRSA-N 1 0 155.241 0.901 50 0 biogenic,in-vitro ACAARO O[C@@]12CCCC[C@H]1C[NH2+]CC2 201438 351273757 /nfs/dbraw/zinc/27/37/57/351273757.db2.gz JCCPJOSXNCXEPE-DTWKUNHWSA-N 1 0 155.241 0.901 50 0 biogenic,in-vitro ACAARO O[C@]12CCCC[C@H]1C[NH2+]CC2 201442 351273820 /nfs/dbraw/zinc/27/38/20/351273820.db2.gz JCCPJOSXNCXEPE-IUCAKERBSA-N 1 0 155.241 0.901 50 0 biogenic,in-vitro ACAARO CC(C)C[NH2+]C[C@@H](C)O 268968 351274551 /nfs/dbraw/zinc/27/45/51/351274551.db2.gz UGDKQUJYHXHKDT-SSDOTTSWSA-N 1 0 131.219 0.613 50 0 ACAARO CC(C)C[NH2+]C[C@H](C)O 268971 351274592 /nfs/dbraw/zinc/27/45/92/351274592.db2.gz UGDKQUJYHXHKDT-ZETCQYMHSA-N 1 0 131.219 0.613 50 0 ACAARO C[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H](C)O1 299478 351275375 /nfs/dbraw/zinc/27/53/75/351275375.db2.gz MYYJFAYHVMWIDI-NXEZZACHSA-N 1 0 198.310 0.848 50 0 in-vitro ACAARO OC[C@@H]1CCCC[NH2+]1 388341 351276797 /nfs/dbraw/zinc/27/67/97/351276797.db2.gz PRAYXGYYVXRDDW-LURJTMIESA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO OCC[NH+]1CCCCC1 388107 351277125 /nfs/dbraw/zinc/27/71/25/351277125.db2.gz KZTWONRVIPPDKH-UHFFFAOYSA-N 1 0 129.203 0.465 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])CO 391150 351277519 /nfs/dbraw/zinc/27/75/19/351277519.db2.gz VPSSPAXIFBTOHY-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO c1cnc2nccc[n+]2c1 390799 351277680 /nfs/dbraw/zinc/27/76/80/351277680.db2.gz AZOUBRBBWKBGFS-UHFFFAOYSA-N 1 0 132.146 0.215 50 0 ACAARO CC(C)C[C@H]([NH3+])CO 391149 351277774 /nfs/dbraw/zinc/27/77/74/351277774.db2.gz VPSSPAXIFBTOHY-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO C[C@@H](O)c1cccc[n+]1C 392601 351277941 /nfs/dbraw/zinc/27/79/41/351277941.db2.gz VBBMNOCFPQTZOX-SSDOTTSWSA-N 1 0 138.190 0.564 50 0 ACAARO c1cc[n+]2cccnc2c1 390945 351277967 /nfs/dbraw/zinc/27/79/67/351277967.db2.gz IVTFWANDUTYGRQ-UHFFFAOYSA-N 1 0 131.158 0.820 50 0 ACAARO C[C@@]12CC[C@@H](O1)[C@H]1C[NH2+]C[C@H]12 399245 351278945 /nfs/dbraw/zinc/27/89/45/351278945.db2.gz FYLPMLURDDXKQU-KDXUFGMBSA-N 1 0 153.225 0.773 50 0 ACAARO CC[C@@H](C)[C@@H]([NH3+])CO 402999 351279166 /nfs/dbraw/zinc/27/91/66/351279166.db2.gz VTQHAQXFSHDMHT-RITPCOANSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO O[C@@H]1CSc2cccc[n+]2C1 497165 351280673 /nfs/dbraw/zinc/28/06/73/351280673.db2.gz QUUWGSSHBLENTO-ZETCQYMHSA-N 1 0 168.241 0.441 50 0 ACAARO CCSc1nc(N)cc(N)[nH+]1 421544 351279921 /nfs/dbraw/zinc/27/99/21/351279921.db2.gz UBGJVBQNURZQEV-UHFFFAOYSA-N 1 0 170.241 0.753 50 0 in-vitro ACAARO OC[C@@H]1CCC[N@@H+]1CC1CC1 556217 351282271 /nfs/dbraw/zinc/28/22/71/351282271.db2.gz VVPQQGSILHUAQR-VIFPVBQESA-N 1 0 155.241 0.853 50 0 in-vitro ACAARO C[C@@H](O)c1n(C)c(Cl)c[n+]1C 532969 351282583 /nfs/dbraw/zinc/28/25/83/351282583.db2.gz OZAADURTHVCJNH-RXMQYKEDSA-N 1 0 175.639 0.556 50 0 ACAARO CC(C)=CCNC(N)=[NH2+] 897460 351283401 /nfs/dbraw/zinc/28/34/01/351283401.db2.gz UVMLHMAIUVSYOL-UHFFFAOYSA-N 1 0 127.191 0.436 50 0 biogenic,in-vitro ACAARO C[C@@H]1C[NH+](C)C[C@@H](C)C1=O 1296023 351284539 /nfs/dbraw/zinc/28/45/39/351284539.db2.gz QSEAGQPIZOIBLN-RNFRBKRXSA-N 1 0 141.214 0.773 50 0 ACAARO c1cc2n(c1)CC[NH2+]C2 1540515 351287249 /nfs/dbraw/zinc/28/72/49/351287249.db2.gz YZBDXDPBLIQCJY-UHFFFAOYSA-N 1 0 122.171 0.591 50 0 in-vitro ACAARO Oc1ccccc1C1=[NH+]CCN1 1555435 351287269 /nfs/dbraw/zinc/28/72/69/351287269.db2.gz CSFVISOIQMHABM-UHFFFAOYSA-N 1 0 162.192 0.742 50 0 ACAARO c1cncc(CC2=[NH+]CCN2)c1 1574928 351288378 /nfs/dbraw/zinc/28/83/78/351288378.db2.gz QARDLIPNCAPWCY-UHFFFAOYSA-N 1 0 161.208 0.626 50 0 ACAARO C[NH+]1CCC2(CC1)OCCO2 1585378 351288383 /nfs/dbraw/zinc/28/83/83/351288383.db2.gz YLPBUMOJYDPQJB-UHFFFAOYSA-N 1 0 157.213 0.455 50 0 ACAARO OCC[NH2+]C1CCCCC1 1576864 351288498 /nfs/dbraw/zinc/28/84/98/351288498.db2.gz MGUMZJAQENFQKN-UHFFFAOYSA-N 1 0 143.230 0.901 50 0 in-vitro ACAARO c1cn2cncc2cn1 1601710 351290024 /nfs/dbraw/zinc/29/00/24/351290024.db2.gz MIFJMFOVENWQDP-UHFFFAOYSA-N 1 0 119.127 0.729 50 0 ACAARO O[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1O 1608362 351290115 /nfs/dbraw/zinc/29/01/15/351290115.db2.gz QJRIUWQPJVPYSO-PHIMTYICSA-N 1 0 193.246 0.224 50 0 in-vitro ACAARO O=c1cccc2n1C[C@@H]1C[NH2+]C[C@H]2C1 1599730 351290159 /nfs/dbraw/zinc/29/01/59/351290159.db2.gz ANJTVLIZGCUXLD-DTWKUNHWSA-N 1 0 190.246 0.555 50 0 biogenic,world ACAARO OCCCC1CC[NH+](CCO)CC1 1631208 351290630 /nfs/dbraw/zinc/29/06/30/351290630.db2.gz QCZXNEGHMZUDNS-UHFFFAOYSA-N 1 0 187.283 0.463 50 0 ACAARO CC(C)C[NH2+]CCO 1661232 351292111 /nfs/dbraw/zinc/29/21/11/351292111.db2.gz VJWZYGQIJWDACM-UHFFFAOYSA-N 1 0 117.192 0.224 50 0 in-vitro ACAARO OCCC[NH2+]Cc1cccnc1 1692504 351294605 /nfs/dbraw/zinc/29/46/05/351294605.db2.gz DKSQDSSMOUQQRK-UHFFFAOYSA-N 1 0 166.224 0.554 50 0 in-vitro ACAARO OCCC[NH2+]Cc1ccncc1 1692505 351294634 /nfs/dbraw/zinc/29/46/34/351294634.db2.gz JCRHBJDXSHWFLX-UHFFFAOYSA-N 1 0 166.224 0.554 50 0 in-vitro ACAARO OCCC[NH+]1CCCCC1 1693939 351294951 /nfs/dbraw/zinc/29/49/51/351294951.db2.gz PLRXAFVBCHEMGD-UHFFFAOYSA-N 1 0 143.230 0.855 50 0 in-vitro ACAARO OC1C[C@@H]2CC[C@H](C1)[NH2+]2 1698748 351295820 /nfs/dbraw/zinc/29/58/20/351295820.db2.gz YYMCYJLIYNNOMK-MEKDEQNOSA-N 1 0 127.187 0.262 50 0 endogenous,in-man ACAARO CC(C)CC[NH2+]CCO 1716711 351296633 /nfs/dbraw/zinc/29/66/33/351296633.db2.gz VHQWELIDTIYJIJ-UHFFFAOYSA-N 1 0 131.219 0.614 50 0 ACAARO OCC[NH2+]Cc1ccccc1 1712826 351296695 /nfs/dbraw/zinc/29/66/95/351296695.db2.gz XNIOWJUQPMKCIJ-UHFFFAOYSA-N 1 0 151.209 0.769 50 0 ACAARO CC(C)=CC[NH3+] 1713198 351296700 /nfs/dbraw/zinc/29/67/00/351296700.db2.gz PFCBHFDNVFQUJI-UHFFFAOYSA-N 1 0 85.150 0.911 50 0 ACAARO OCC[NH2+]Cc1ccc2c(c1)OCO2 1719343 351297622 /nfs/dbraw/zinc/29/76/22/351297622.db2.gz MDPPSAHGELKXFL-UHFFFAOYSA-N 1 0 195.218 0.497 50 0 ACAARO C[C@@H]1[NH2+]CCc2nc[nH]c21 1743375 351298563 /nfs/dbraw/zinc/29/85/63/351298563.db2.gz GJMRGFIGPFVORV-YFKPBYRVSA-N 1 0 137.186 0.616 50 0 in-vitro ACAARO OCC[NH2+]CCc1ccccc1 1733418 351298569 /nfs/dbraw/zinc/29/85/69/351298569.db2.gz WPOHVHKEDGUEPZ-UHFFFAOYSA-N 1 0 165.236 0.811 50 0 in-vitro ACAARO OCC[NH2+]Cc1ccccn1 1769282 351299475 /nfs/dbraw/zinc/29/94/75/351299475.db2.gz VLMNYMSCQPXJDR-UHFFFAOYSA-N 1 0 152.197 0.164 50 0 ACAARO CCOc1ccc(NC(=O)C[NH3+])cc1 1847904 351299801 /nfs/dbraw/zinc/29/98/01/351299801.db2.gz LQJARUQXWJSDFL-UHFFFAOYSA-N 1 0 194.234 0.983 50 0 in-vitro ACAARO C[C@@H]1CC[NH+]=C(N)C1 1891073 351300287 /nfs/dbraw/zinc/30/02/87/351300287.db2.gz GGDLOMFAKKVDPT-RXMQYKEDSA-N 1 0 112.176 0.983 50 0 in-vivo ACAARO C[C@@H]1[NH2+]CCS1 2014874 351301119 /nfs/dbraw/zinc/30/11/19/351301119.db2.gz DQMLFUMEBNHPPB-SCSAIBSYSA-N 1 0 103.190 0.669 50 0 endogenous,in-man ACAARO C[C@@H]1CCC[NH2+]1 2031153 351301876 /nfs/dbraw/zinc/30/18/76/351301876.db2.gz RGHPCLZJAFCTIK-RXMQYKEDSA-N 1 0 85.150 0.758 50 0 in-vitro ACAARO CC[C@@H](C)C[NH3+] 2041176 351303430 /nfs/dbraw/zinc/30/34/30/351303430.db2.gz VJROPLWGFCORRM-RXMQYKEDSA-N 1 0 87.166 0.991 50 0 endogenous,in-man ACAARO C[C@@H]1C=C[C@@H](C)[NH2+]1 2140988 351304455 /nfs/dbraw/zinc/30/44/55/351304455.db2.gz TXQDHQBSNAJSHQ-PHDIDXHHSA-N 1 0 97.161 0.923 50 0 in-vitro ACAARO CC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 2458647 351307367 /nfs/dbraw/zinc/30/73/67/351307367.db2.gz IYMHRCANDIVXEC-HTQZYQBOSA-N 1 0 191.296 0.562 50 0 ACAARO OCC[NH2+]Cc1cccnc1 2388650 351307278 /nfs/dbraw/zinc/30/72/78/351307278.db2.gz QOBASENDLSYOKH-UHFFFAOYSA-N 1 0 152.197 0.164 50 0 in-vitro ACAARO OCC[NH+](CCO)C[C@@H]1CC=CCC1 2489878 351307395 /nfs/dbraw/zinc/30/73/95/351307395.db2.gz HGUDHCKQWSFJIO-LLVKDONJSA-N 1 0 199.294 0.629 50 0 ACAARO OCC[NH+]1CCSCC1 2513795 351308065 /nfs/dbraw/zinc/30/80/65/351308065.db2.gz QJYGLIBXIXQRHZ-UHFFFAOYSA-N 1 0 147.243 0.028 50 0 ACAARO OCCC[NH2+]Cc1ccco1 2510456 351308173 /nfs/dbraw/zinc/30/81/73/351308173.db2.gz UCMRAPBPWXKDNL-UHFFFAOYSA-N 1 0 155.197 0.752 50 0 ACAARO OCC[NH2+]Cc1cccs1 2511869 351308226 /nfs/dbraw/zinc/30/82/26/351308226.db2.gz LVERIHWIAUFVNE-UHFFFAOYSA-N 1 0 157.238 0.830 50 0 in-vitro ACAARO OCC[NH2+]Cc1ccncc1 2522940 351308307 /nfs/dbraw/zinc/30/83/07/351308307.db2.gz KPFBTUXUBQAHJR-UHFFFAOYSA-N 1 0 152.197 0.164 50 0 in-vitro ACAARO c1cncc([C@@H]2C[NH2+]CCO2)c1 2513057 351308444 /nfs/dbraw/zinc/30/84/44/351308444.db2.gz PPUJWYHBVHJUKY-VIFPVBQESA-N 1 0 164.208 0.743 50 0 in-vitro ACAARO OC1(c2ccncc2)CC[NH2+]CC1 2529121 351309124 /nfs/dbraw/zinc/30/91/24/351309124.db2.gz BMUVABKFVGHPFS-UHFFFAOYSA-N 1 0 178.235 0.653 50 0 in-vitro ACAARO OC1(c2cccnc2)CC[NH2+]CC1 2529120 351309198 /nfs/dbraw/zinc/30/91/98/351309198.db2.gz VVJAZRLYMFLGML-UHFFFAOYSA-N 1 0 178.235 0.653 50 0 ACAARO C[C@@]([NH3+])(CO)c1ccccc1 2539899 351309903 /nfs/dbraw/zinc/30/99/03/351309903.db2.gz WAQCLDRCXNFRBI-SECBINFHSA-N 1 0 151.209 0.853 50 0 in-vitro ACAARO OCC[NH2+]Cc1ccc(F)cc1 2533906 351310101 /nfs/dbraw/zinc/31/01/01/351310101.db2.gz KWEPMOQQKUYWIN-UHFFFAOYSA-N 1 0 169.199 0.908 50 0 in-vitro ACAARO CC(C)C(=O)N1CC[NH2+]CC1 2540618 351310418 /nfs/dbraw/zinc/31/04/18/351310418.db2.gz JPULDXYXDMNTNT-UHFFFAOYSA-N 1 0 156.229 0.074 50 0 in-vitro ACAARO OC1CC[NH+](C2CC[NH2+]CC2)CC1 2559686 351311068 /nfs/dbraw/zinc/31/10/68/351311068.db2.gz LPCZFCQMWDLPAV-UHFFFAOYSA-N 1 0 184.283 0.195 50 0 ACAARO CC[C@@H](C)NC(=O)C1CC[NH2+]CC1 2555570 351311189 /nfs/dbraw/zinc/31/11/89/351311189.db2.gz DYFRVVYYUVJLHC-MRVPVSSYSA-N 1 0 184.283 0.901 50 0 ACAARO CCO[C@@H]1CC[NH2+]C1 2570042 351312304 /nfs/dbraw/zinc/31/23/04/351312304.db2.gz KEBOYHJEUFJZPE-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO OCC[NH2+]CCc1ccncc1 2573759 351312909 /nfs/dbraw/zinc/31/29/09/351312909.db2.gz TYOVBYMKRWIZOV-UHFFFAOYSA-N 1 0 166.224 0.206 50 0 in-vitro ACAARO C[C@@H]1C[C@H](O)[C@@H](C)[N@H+](C)C1 2570293 351312959 /nfs/dbraw/zinc/31/29/59/351312959.db2.gz FYSXYJLZTKYTDU-PRJMDXOYSA-N 1 0 143.230 0.707 50 0 ACAARO CC(C)CNC(=O)[C@@H]1CCC[NH2+]C1 2576115 351313382 /nfs/dbraw/zinc/31/33/82/351313382.db2.gz UYQMSGBRYUFUIH-SECBINFHSA-N 1 0 184.283 0.758 50 0 in-vitro ACAARO C[C@@H]1C[C@@H](O)C[N@H+](C)C1 2570272 351313442 /nfs/dbraw/zinc/31/34/42/351313442.db2.gz CBRMWULTQJIPNA-RNFRBKRXSA-N 1 0 129.203 0.319 50 0 ACAARO O[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1O 2572368 351313494 /nfs/dbraw/zinc/31/34/94/351313494.db2.gz QJRIUWQPJVPYSO-QWRGUYRKSA-N 1 0 193.246 0.224 50 0 in-vitro ACAARO O[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O 2572367 351313531 /nfs/dbraw/zinc/31/35/31/351313531.db2.gz QJRIUWQPJVPYSO-GHMZBOCLSA-N 1 0 193.246 0.224 50 0 in-vitro ACAARO C[C@@H]1[C@@H](O)CC[N@H+](C)[C@H]1C 2586617 351314353 /nfs/dbraw/zinc/31/43/53/351314353.db2.gz RKKHEISNQPMYEF-FXQIFTODSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@@H]1CC(=O)[C@H](C)C[NH2+]1 3099911 351315915 /nfs/dbraw/zinc/31/59/15/351315915.db2.gz KZAGJHDAWXVDQX-PHDIDXHHSA-N 1 0 127.187 0.573 50 0 ACAARO O[C@@H]1CC[NH2+][C@@H]2CCC[C@H]12 3165406 351316879 /nfs/dbraw/zinc/31/68/79/351316879.db2.gz QBJPYDROHNVNAT-XLPZGREQSA-N 1 0 141.214 0.509 50 0 ACAARO O=Cc1ccc(N2CC[NH2+]CC2)s1 3346495 351317914 /nfs/dbraw/zinc/31/79/14/351317914.db2.gz HWRCNHFGKABYGW-UHFFFAOYSA-N 1 0 196.275 0.970 50 0 ACAARO OCCC[NH+]1CCCC1 3622806 351317927 /nfs/dbraw/zinc/31/79/27/351317927.db2.gz ZMJQROKRSPSLFH-UHFFFAOYSA-N 1 0 129.203 0.465 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CS1 3609067 351318315 /nfs/dbraw/zinc/31/83/15/351318315.db2.gz WPSFOSFHXXIFDR-SCSAIBSYSA-N 1 0 103.190 0.669 50 0 ACAARO c1cnc(N2CCC[NH2+]CC2)cn1 3716226 351319161 /nfs/dbraw/zinc/31/91/61/351319161.db2.gz ZIPUZQXWPDCSAS-UHFFFAOYSA-N 1 0 178.239 0.276 50 0 in-vitro ACAARO CC(C)C[NH2+][C@@H]1CCS(=O)(=O)C1 3683866 351319282 /nfs/dbraw/zinc/31/92/82/351319282.db2.gz QODRMDYLPGFPRH-MRVPVSSYSA-N 1 0 191.296 0.419 50 0 in-vitro ACAARO OCC[NH+](CCO)C[C@H]1CC=CCC1 3684071 351319366 /nfs/dbraw/zinc/31/93/66/351319366.db2.gz HGUDHCKQWSFJIO-NSHDSACASA-N 1 0 199.294 0.629 50 0 ACAARO c1nc([C@H]2CC[NH2+]C2)c[nH]1 3793868 351320705 /nfs/dbraw/zinc/32/07/05/351320705.db2.gz YQRQZXURFZZPAX-LURJTMIESA-N 1 0 137.186 0.487 50 0 in-vitro ACAARO CC(C)C[NH2+][C@H]1CCS(=O)(=O)C1 3865821 351321559 /nfs/dbraw/zinc/32/15/59/351321559.db2.gz QODRMDYLPGFPRH-QMMMGPOBSA-N 1 0 191.296 0.419 50 0 in-vitro ACAARO CC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 3866508 351321998 /nfs/dbraw/zinc/32/19/98/351321998.db2.gz IYMHRCANDIVXEC-SFYZADRCSA-N 1 0 191.296 0.562 50 0 ACAARO C[C@@H]1COC[C@@H](C)[NH2+]1 3875939 351322708 /nfs/dbraw/zinc/32/27/08/351322708.db2.gz MDKHWJFKHDRFFZ-PHDIDXHHSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@@H]1C[N@H+](C)[C@H](C)CC1=O 3882834 351322715 /nfs/dbraw/zinc/32/27/15/351322715.db2.gz VQHHMWWQNKUPKH-RNFRBKRXSA-N 1 0 141.214 0.916 50 0 in-vitro ACAARO CC(C)C[NH2+]CCCO 3882402 351322728 /nfs/dbraw/zinc/32/27/28/351322728.db2.gz DQTOAJHGPKIACO-UHFFFAOYSA-N 1 0 131.219 0.614 50 0 ACAARO c1cnc(N2CCC[NH2+]CC2)nc1 3882787 351322826 /nfs/dbraw/zinc/32/28/26/351322826.db2.gz LZOGPVCTSDAYIP-UHFFFAOYSA-N 1 0 178.239 0.276 50 0 in-vitro ACAARO O[C@H]1CC[C@H]2CCC[NH2+][C@H]2C1 4005635 351323459 /nfs/dbraw/zinc/32/34/59/351323459.db2.gz CFYDLDXIZVAABZ-VGMNWLOBSA-N 1 0 155.241 0.899 50 0 ACAARO c1cncc(O[C@H]2CC[NH2+]C2)c1 3932135 351323540 /nfs/dbraw/zinc/32/35/40/351323540.db2.gz DCWKRPJLVIHGCZ-VIFPVBQESA-N 1 0 164.208 0.822 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2CCC[NH2+][C@H]2C1 4005638 351323894 /nfs/dbraw/zinc/32/38/94/351323894.db2.gz CFYDLDXIZVAABZ-YIZRAAEISA-N 1 0 155.241 0.899 50 0 ACAARO O[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 4011514 351324142 /nfs/dbraw/zinc/32/41/42/351324142.db2.gz MLQARXBFLAEGNM-XHNCKOQMSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO C[C@@H]1C(=O)CC[N@H+](CCCO)[C@@H]1C 4127468 351324623 /nfs/dbraw/zinc/32/46/23/351324623.db2.gz MJLJZHRSNXUBLH-DTWKUNHWSA-N 1 0 185.267 0.668 50 0 ACAARO C[C@@H]1C(=O)CC[N@H+](CCCO)[C@H]1C 4127466 351324715 /nfs/dbraw/zinc/32/47/15/351324715.db2.gz MJLJZHRSNXUBLH-IUCAKERBSA-N 1 0 185.267 0.668 50 0 ACAARO OCC[C@@H]1CCC[NH2+]C1 4202323 351324906 /nfs/dbraw/zinc/32/49/06/351324906.db2.gz OMMMTTWYXWUMNJ-ZETCQYMHSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO C[C@@H]1C(=O)CCN(CCO)[C@H]1C 4127223 351325011 /nfs/dbraw/zinc/32/50/11/351325011.db2.gz QHAITLLROGOFFC-YUMQZZPRSA-N 1 0 171.240 0.278 50 0 ACAARO OCC[C@H]1CCC[NH2+]C1 4202322 351325167 /nfs/dbraw/zinc/32/51/67/351325167.db2.gz OMMMTTWYXWUMNJ-SSDOTTSWSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO CC(C)CN1CCO[C@H](C[NH3+])C1 4206141 351325653 /nfs/dbraw/zinc/32/56/53/351325653.db2.gz JZLWZSHYJMTUMA-SECBINFHSA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO CC(C)CN1CCO[C@@H](C[NH3+])C1 4206143 351325811 /nfs/dbraw/zinc/32/58/11/351325811.db2.gz JZLWZSHYJMTUMA-VIFPVBQESA-N 1 0 172.272 0.302 50 0 in-vitro ACAARO c1[nH]nc2c1C[NH2+]CC2 4243542 351325840 /nfs/dbraw/zinc/32/58/40/351325840.db2.gz VGMJQHONPAXABH-UHFFFAOYSA-N 1 0 123.159 0.055 50 0 in-vitro ACAARO c1cc2c(cn1)C[NH2+]C2 4203918 351325856 /nfs/dbraw/zinc/32/58/56/351325856.db2.gz HIACNNDCIUUION-UHFFFAOYSA-N 1 0 120.155 0.685 50 0 in-vitro ACAARO C[C@@H]1CCCN(C(N)=[NH2+])C1 4219213 351325929 /nfs/dbraw/zinc/32/59/29/351325929.db2.gz MUIXBWMLQDSNIW-ZCFIWIBFSA-N 1 0 141.218 0.612 50 0 ACAARO O[C@@H]1CCC[NH2+]CC1 4202949 351326084 /nfs/dbraw/zinc/32/60/84/351326084.db2.gz JKYGZQCMFANMFM-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[C@@H]1[C@@H](O)CC[N@H+](C)[C@@H]1C 4343749 351327689 /nfs/dbraw/zinc/32/76/89/351327689.db2.gz RKKHEISNQPMYEF-RNJXMRFFSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1O 4343752 351327700 /nfs/dbraw/zinc/32/77/00/351327700.db2.gz ZMPIXCGEZCZGGJ-BWZBUEFSSA-N 1 0 143.230 0.707 50 0 ACAARO CC(C)CNC(=O)C1CC[NH2+]CC1 4298664 351327709 /nfs/dbraw/zinc/32/77/09/351327709.db2.gz BJUSKOOBSNGOIR-UHFFFAOYSA-N 1 0 184.283 0.758 50 0 ACAARO C[C@@H]1C[NH2+]C(C)(C)C(=O)C1 4343773 351327721 /nfs/dbraw/zinc/32/77/21/351327721.db2.gz PGAQZIHGDJNNQZ-LURJTMIESA-N 1 0 141.214 0.964 50 0 ACAARO C[C@@H]1C(=O)CC[N@H+](C)[C@@H]1C 4342483 351327788 /nfs/dbraw/zinc/32/77/88/351327788.db2.gz QVQFNUCLTKVBBY-NKWVEPMBSA-N 1 0 141.214 0.916 50 0 ACAARO C[C@@H]1C[C@H](O)C[N@H+](C)C1 4343754 351327972 /nfs/dbraw/zinc/32/79/72/351327972.db2.gz CBRMWULTQJIPNA-RQJHMYQMSA-N 1 0 129.203 0.319 50 0 ACAARO C[C@@H]1C(=O)CC[N@H+](C)[C@H]1C 4342482 351328148 /nfs/dbraw/zinc/32/81/48/351328148.db2.gz QVQFNUCLTKVBBY-BQBZGAKWSA-N 1 0 141.214 0.916 50 0 ACAARO C[C@@H]1CC(=O)CC[NH2+]1 4343350 351328235 /nfs/dbraw/zinc/32/82/35/351328235.db2.gz OFVHMZSKMQPCKB-RXMQYKEDSA-N 1 0 113.160 0.327 50 0 in-vitro ACAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1O 4343750 351328264 /nfs/dbraw/zinc/32/82/64/351328264.db2.gz ZMPIXCGEZCZGGJ-PRJMDXOYSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@@H]1[NH2+]CC[C@H](O)[C@@H]1C 4462417 351328985 /nfs/dbraw/zinc/32/89/85/351328985.db2.gz RSBKVKZYGJSCDI-VQVTYTSYSA-N 1 0 129.203 0.365 50 0 ACAARO CC(C)(O)[C@@H]1CCCC[NH2+]1 4416061 351329097 /nfs/dbraw/zinc/32/90/97/351329097.db2.gz LWQKTFFRBALRAP-ZETCQYMHSA-N 1 0 143.230 0.899 50 0 ACAARO O[C@]1(c2ccccc2)CC[NH2+]C1 4384403 351329127 /nfs/dbraw/zinc/32/91/27/351329127.db2.gz AFQYBBFSDHKQJV-SNVBAGLBSA-N 1 0 163.220 0.868 50 0 in-vitro ACAARO CC[C@@H]1SC(=O)N(CC[NH3+])C1=O 4554243 351330096 /nfs/dbraw/zinc/33/00/96/351330096.db2.gz VEUQMWZVGLSXEA-YFKPBYRVSA-N 1 0 188.252 0.419 50 0 ACAARO CC[C@H]1SC(=O)N(CC[NH3+])C1=O 4554242 351330197 /nfs/dbraw/zinc/33/01/97/351330197.db2.gz VEUQMWZVGLSXEA-RXMQYKEDSA-N 1 0 188.252 0.419 50 0 ACAARO c1nc(C[C@@H]2CCC[NH2+]C2)c[nH]1 4626947 351330807 /nfs/dbraw/zinc/33/08/07/351330807.db2.gz KPAJJCMZSUJZLQ-QMMMGPOBSA-N 1 0 165.240 0.952 50 0 ACAARO CC(C)C[NH3+] 4658586 351331030 /nfs/dbraw/zinc/33/10/30/351331030.db2.gz KDSNLYIMUZNERS-UHFFFAOYSA-N 1 0 73.139 0.601 50 0 endogenous,in-man ACAARO c1cncc(O[C@@H]2CC[NH2+]C2)c1 4638275 351331068 /nfs/dbraw/zinc/33/10/68/351331068.db2.gz DCWKRPJLVIHGCZ-SECBINFHSA-N 1 0 164.208 0.822 50 0 in-vitro ACAARO CC(C)CC[NH3+] 4658584 351331172 /nfs/dbraw/zinc/33/11/72/351331172.db2.gz BMFVGAAISNGQNM-UHFFFAOYSA-N 1 0 87.166 0.991 50 0 endogenous,in-man ACAARO c1nc([C@@H]2CC[NH2+]C2)c[nH]1 4626815 351331482 /nfs/dbraw/zinc/33/14/82/351331482.db2.gz YQRQZXURFZZPAX-ZCFIWIBFSA-N 1 0 137.186 0.487 50 0 in-vitro ACAARO OCCC1CC[NH2+]CC1 4716361 351332213 /nfs/dbraw/zinc/33/22/13/351332213.db2.gz LDSQQXKSEFZAPE-UHFFFAOYSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO C[C@@H]1[C@H](O)C2CC[NH+]1CC2 4787685 351333162 /nfs/dbraw/zinc/33/31/62/351333162.db2.gz VLJPCCPJHQAAQB-SVRRBLITSA-N 1 0 141.214 0.461 50 0 ACAARO C[C@@H]1[C@@H](O)C2CC[NH+]1CC2 4787691 351333401 /nfs/dbraw/zinc/33/34/01/351333401.db2.gz VLJPCCPJHQAAQB-HTRCEHHLSA-N 1 0 141.214 0.461 50 0 ACAARO C[C@@H]1C[C@@H](O)[C@H](C)C[NH2+]1 4843854 351334143 /nfs/dbraw/zinc/33/41/43/351334143.db2.gz JDAPNCWTYAIVCT-FSDSQADBSA-N 1 0 129.203 0.365 50 0 ACAARO C[C@@H]1C[C@H](O)[C@H](C)C[NH2+]1 4843852 351334512 /nfs/dbraw/zinc/33/45/12/351334512.db2.gz JDAPNCWTYAIVCT-QYNIQEEDSA-N 1 0 129.203 0.365 50 0 ACAARO O[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 4955436 351335834 /nfs/dbraw/zinc/33/58/34/351335834.db2.gz MLQARXBFLAEGNM-IWSPIJDZSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 4984016 351336452 /nfs/dbraw/zinc/33/64/52/351336452.db2.gz QMQARUHERXCTNJ-HLTSFMKQSA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO O[C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 4984017 351336492 /nfs/dbraw/zinc/33/64/92/351336492.db2.gz QMQARUHERXCTNJ-YIZRAAEISA-N 1 0 155.241 0.899 50 0 in-vitro ACAARO OC[C@H]1CCCCC[NH2+]1 4996329 351336885 /nfs/dbraw/zinc/33/68/85/351336885.db2.gz SAHMJQZPPPFESV-SSDOTTSWSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO OCCCC[NH2+]CCCCO 5113255 351337766 /nfs/dbraw/zinc/33/77/66/351337766.db2.gz FTGIHCSSXPBYMX-UHFFFAOYSA-N 1 0 161.245 0.121 50 0 ACAARO Cc1[nH+]cc(N)n1C 5116468 351338508 /nfs/dbraw/zinc/33/85/08/351338508.db2.gz CNBBPEZNHKKEKJ-UHFFFAOYSA-N 1 0 111.148 0.311 50 0 ACAARO C[C@@H]1CN(C)C(=[NH2+])S1 5125599 351338922 /nfs/dbraw/zinc/33/89/22/351338922.db2.gz VEWZXPAMIBRPDO-SCSAIBSYSA-N 1 0 130.216 0.988 50 0 ACAARO Cc1nc(CC[NH3+])c[nH]1 5116020 351339011 /nfs/dbraw/zinc/33/90/11/351339011.db2.gz XDKYTXBAVJELDQ-UHFFFAOYSA-N 1 0 125.175 0.219 50 0 in-vitro ACAARO OCC12CC[NH+](CC1)CC2 5134163 351339541 /nfs/dbraw/zinc/33/95/41/351339541.db2.gz PGGCTNQYCZTVNL-UHFFFAOYSA-N 1 0 141.214 0.465 50 0 in-vitro ACAARO OC12CC[NH+](CC1)CC2 5134166 351339428 /nfs/dbraw/zinc/33/94/28/351339428.db2.gz RQRSQXFVRUWISR-UHFFFAOYSA-N 1 0 127.187 0.217 50 0 in-vitro ACAARO OC[C@H]1CC2CC[NH+]1CC2 5134172 351339967 /nfs/dbraw/zinc/33/99/67/351339967.db2.gz YUZMBZAYRWUWCN-MRVPVSSYSA-N 1 0 141.214 0.463 50 0 ACAARO OCCCC1CC[NH2+]CC1 5190613 351340706 /nfs/dbraw/zinc/34/07/06/351340706.db2.gz DBIMLJDSPUCGGY-UHFFFAOYSA-N 1 0 143.230 0.759 50 0 in-vitro ACAARO O[C@H]1CC[NH2+][C@H]2CCC[C@@H]12 5290395 351341516 /nfs/dbraw/zinc/34/15/16/351341516.db2.gz QBJPYDROHNVNAT-CSMHCCOUSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@H]1CC[NH2+][C@@H]2CCC[C@@H]12 5290392 351341568 /nfs/dbraw/zinc/34/15/68/351341568.db2.gz QBJPYDROHNVNAT-PRJMDXOYSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@H]1CCCC[NH2+]1 5240665 351341691 /nfs/dbraw/zinc/34/16/91/351341691.db2.gz LEGMHPGYPXPXKB-YFKPBYRVSA-N 1 0 101.149 0.078 50 0 in-vitro ACAARO OCCOCC[NH+]1CCCCC1 5375444 351342723 /nfs/dbraw/zinc/34/27/23/351342723.db2.gz YVMNPPASXPOPIQ-UHFFFAOYSA-N 1 0 173.256 0.481 50 0 ACAARO C[n+]1ccc(CO)cc1 5377945 351342776 /nfs/dbraw/zinc/34/27/76/351342776.db2.gz BYWOUJPJTMCHNZ-UHFFFAOYSA-N 1 0 124.163 0.003 50 0 ACAARO O[C@@H]1CC[N@@H+]2CCC[C@H]12 5600327 351346746 /nfs/dbraw/zinc/34/67/46/351346746.db2.gz UCQIGQBEAGJWTF-RNFRBKRXSA-N 1 0 127.187 0.215 50 0 ACAARO C[C@@H]1CCCC[N@@H+]1CC(N)=O 5672491 351346753 /nfs/dbraw/zinc/34/67/53/351346753.db2.gz APOFMXCNXQMJNH-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO OC1CC[NH+](CCF)CC1 5847412 351347636 /nfs/dbraw/zinc/34/76/36/351347636.db2.gz YUPRNALANWTJTB-UHFFFAOYSA-N 1 0 147.193 0.413 50 0 in-vitro ACAARO CC[C@@H](C)[NH2+]CCO 5922287 351348300 /nfs/dbraw/zinc/34/83/00/351348300.db2.gz YTVUVYDVQNALCM-ZCFIWIBFSA-N 1 0 117.192 0.367 50 0 ACAARO OCC[NH2+]C[C@@H](O)c1ccccc1 6116199 351349915 /nfs/dbraw/zinc/34/99/15/351349915.db2.gz LHUDRSNXNPORPA-SNVBAGLBSA-N 1 0 181.235 0.302 50 0 in-vitro ACAARO OCC[NH2+]C[C@H](O)c1ccccc1 6116395 351350159 /nfs/dbraw/zinc/35/01/59/351350159.db2.gz LHUDRSNXNPORPA-JTQLQIEISA-N 1 0 181.235 0.302 50 0 in-vitro ACAARO C[C@@](C[NH3+])(CO)c1ccccc1 6442039 351350841 /nfs/dbraw/zinc/35/08/41/351350841.db2.gz DBPJVHHWVIXIEJ-SNVBAGLBSA-N 1 0 165.236 0.895 50 0 in-vitro ACAARO C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(N)=O 6202012 351350881 /nfs/dbraw/zinc/35/08/81/351350881.db2.gz LJXOCWAZFOHMPH-RITPCOANSA-N 1 0 174.244 0.003 50 0 ACAARO CCO[C@H]1CCC[NH2+]C1 6350787 351351264 /nfs/dbraw/zinc/35/12/64/351351264.db2.gz RYNGVDXHFTWXDH-ZETCQYMHSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO CCO[C@@H]1CCC[NH2+]C1 6350765 351351441 /nfs/dbraw/zinc/35/14/41/351351441.db2.gz RYNGVDXHFTWXDH-SSDOTTSWSA-N 1 0 129.203 0.775 50 0 in-vitro ACAARO OC[C@H]1C[NH+]2CCC1CC2 6658106 351352545 /nfs/dbraw/zinc/35/25/45/351352545.db2.gz GUAWHSHTXVVCLZ-MRVPVSSYSA-N 1 0 141.214 0.321 50 0 in-vitro ACAARO OC[C@@H]1C[NH+]2CCC1CC2 6658105 351352603 /nfs/dbraw/zinc/35/26/03/351352603.db2.gz GUAWHSHTXVVCLZ-QMMMGPOBSA-N 1 0 141.214 0.321 50 0 in-vitro ACAARO [NH3+]CCCOCC(F)(F)F 6854838 351354313 /nfs/dbraw/zinc/35/43/13/351354313.db2.gz OPJGZAWRXBEOMB-UHFFFAOYSA-N 1 0 157.135 0.914 50 0 in-vitro ACAARO OCC[NH2+]Cc1ccsc1 7524971 351354932 /nfs/dbraw/zinc/35/49/32/351354932.db2.gz QAXSMAOCBFMSNC-UHFFFAOYSA-N 1 0 157.238 0.830 50 0 in-vitro ACAARO OCC[NH2+]Cc1ccco1 7519326 351355484 /nfs/dbraw/zinc/35/54/84/351355484.db2.gz PERSIOJMHRGFFY-UHFFFAOYSA-N 1 0 141.170 0.362 50 0 in-vitro ACAARO CC(C)CNC(=O)[C@H]1CCC[NH2+]C1 8700966 351357464 /nfs/dbraw/zinc/35/74/64/351357464.db2.gz UYQMSGBRYUFUIH-VIFPVBQESA-N 1 0 184.283 0.758 50 0 in-vitro ACAARO c1nc2c([nH]1)C1(CC[NH2+]CC1)NCC2 8733331 351358514 /nfs/dbraw/zinc/35/85/14/351358514.db2.gz NTAYHZGUFNPVLG-UHFFFAOYSA-N 1 0 192.266 0.134 50 0 biogenic,in-vitro ACAARO CC(C)C[C@H]([NH3+])c1ncnn1C 19091748 351387917 /nfs/dbraw/zinc/38/79/17/351387917.db2.gz YOIGCOHFFYEZLZ-ZETCQYMHSA-N 1 0 168.244 0.861 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1ccccc1 11803498 351360630 /nfs/dbraw/zinc/36/06/30/351360630.db2.gz BDNDQOCRJGGSJO-SECBINFHSA-N 1 0 151.209 0.853 50 0 in-vitro ACAARO c1coc([C@@H]2C[NH2+]CCO2)c1 11802991 351360693 /nfs/dbraw/zinc/36/06/93/351360693.db2.gz UGXGFMVISDIEQB-QMMMGPOBSA-N 1 0 153.181 0.941 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1ccc(F)cc1 11803527 351360825 /nfs/dbraw/zinc/36/08/25/351360825.db2.gz TWYWVSYPVSKZOE-SECBINFHSA-N 1 0 169.199 0.992 50 0 in-vitro ACAARO C[C@@H]([C@@H](C)[NH3+])n1cccn1 11848809 351360837 /nfs/dbraw/zinc/36/08/37/351360837.db2.gz JUJSJFUYRXZKCK-RQJHMYQMSA-N 1 0 139.202 0.791 50 0 in-vitro ACAARO CC(C)CNC(=O)[C@@H]1CCC[NH2+]1 11754366 351360911 /nfs/dbraw/zinc/36/09/11/351360911.db2.gz BXSADHSYWIGZJV-QMMMGPOBSA-N 1 0 170.256 0.511 50 0 ACAARO CC(C)C(=O)NCC[NH+](C)C 11638438 351361101 /nfs/dbraw/zinc/36/11/01/351361101.db2.gz PNFGNHGNXRWCQW-UHFFFAOYSA-N 1 0 158.245 0.320 50 0 in-vitro ACAARO c1coc([C@H]2C[NH2+]CCO2)c1 11802989 351361139 /nfs/dbraw/zinc/36/11/39/351361139.db2.gz UGXGFMVISDIEQB-MRVPVSSYSA-N 1 0 153.181 0.941 50 0 in-vitro ACAARO CC(C)CNC(=O)[C@@H]1CCCC[NH2+]1 19413016 351389588 /nfs/dbraw/zinc/38/95/88/351389588.db2.gz DRVXUMFNQUQULU-VIFPVBQESA-N 1 0 184.283 0.901 50 0 ACAARO C[C@@](O)(C[NH3+])c1cccs1 11803494 351361325 /nfs/dbraw/zinc/36/13/25/351361325.db2.gz ZJJKSRKFQJJIKJ-SSDOTTSWSA-N 1 0 157.238 0.914 50 0 in-vitro ACAARO OC[C@H]1CC[N@@H+](C2CC2)C1 11892480 351361966 /nfs/dbraw/zinc/36/19/66/351361966.db2.gz AXEXOAWBGAKGAW-ZETCQYMHSA-N 1 0 141.214 0.463 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C(C)(C)CO1 11950126 351362017 /nfs/dbraw/zinc/36/20/17/351362017.db2.gz HNEUNOOQVVWQNF-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO OC[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 11892523 351362028 /nfs/dbraw/zinc/36/20/28/351362028.db2.gz ZTMTWWSBNVUXLH-UWVGGRQHSA-N 1 0 185.267 0.480 50 0 ACAARO CC(C)C[N@@H+]1CC[C@H](CO)C1 11892494 351362040 /nfs/dbraw/zinc/36/20/40/351362040.db2.gz ONWDHDUWKQHHCA-VIFPVBQESA-N 1 0 157.257 0.957 50 0 ACAARO OC[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 11892519 351362071 /nfs/dbraw/zinc/36/20/71/351362071.db2.gz ZTMTWWSBNVUXLH-ZJUUUORDSA-N 1 0 185.267 0.480 50 0 ACAARO CC(C)C[N@@H+]1CC[C@@H](CO)C1 11892492 351362100 /nfs/dbraw/zinc/36/21/00/351362100.db2.gz ONWDHDUWKQHHCA-SECBINFHSA-N 1 0 157.257 0.957 50 0 ACAARO c1cn2c([nH+]1)NCCC2 11920167 351362108 /nfs/dbraw/zinc/36/21/08/351362108.db2.gz VCZBRPRKZKPDQD-UHFFFAOYSA-N 1 0 123.159 0.699 50 0 in-vitro ACAARO c1cn2c([nH+]1)NCC2 11920166 351362146 /nfs/dbraw/zinc/36/21/46/351362146.db2.gz ISIOZKZXXAFJTG-UHFFFAOYSA-N 1 0 109.132 0.309 50 0 in-vitro ACAARO OC[C@@H]1CC[N@@H+](C2CC2)C1 11892478 351362173 /nfs/dbraw/zinc/36/21/73/351362173.db2.gz AXEXOAWBGAKGAW-SSDOTTSWSA-N 1 0 141.214 0.463 50 0 in-vitro ACAARO CC(C)C[C@H]([NH3+])C(=O)NC1CC1 11960868 351362864 /nfs/dbraw/zinc/36/28/64/351362864.db2.gz AOCXGTGWKFAMDR-QMMMGPOBSA-N 1 0 170.256 0.638 50 0 ACAARO CC(C)C[C@H]([NH3+])C(=O)NC(C)C 11960864 351362898 /nfs/dbraw/zinc/36/28/98/351362898.db2.gz AEIHZGOSMYYCAH-QMMMGPOBSA-N 1 0 172.272 0.884 50 0 ACAARO CC[C@@H](C)[C@H]([NH3+])C(=O)NC(C)C 11959177 351363032 /nfs/dbraw/zinc/36/30/32/351363032.db2.gz VCUPSOZUSVGUIK-SFYZADRCSA-N 1 0 172.272 0.884 50 0 ACAARO c1coc([C@@H]2C[NH2+]CCN2)c1 19370456 351389590 /nfs/dbraw/zinc/38/95/90/351389590.db2.gz LOKVZWIGUJYFLY-ZETCQYMHSA-N 1 0 152.197 0.514 50 0 ACAARO CC(C)CNC(=O)[C@@H]([NH3+])C(C)C 11958268 351363131 /nfs/dbraw/zinc/36/31/31/351363131.db2.gz GCNQFWALMAHDQL-QMMMGPOBSA-N 1 0 172.272 0.742 50 0 ACAARO CC(C)CNC(=O)[C@H](C)[NH3+] 11957325 351363139 /nfs/dbraw/zinc/36/31/39/351363139.db2.gz DOHLDWQZEPRKEW-LURJTMIESA-N 1 0 144.218 0.106 50 0 ACAARO CC(C)C[N@H+]1CCc2nncn2CC1 12126487 351363175 /nfs/dbraw/zinc/36/31/75/351363175.db2.gz QGTORKYTLDJRDS-UHFFFAOYSA-N 1 0 194.282 0.792 50 0 ACAARO CC(C)C[C@H]([NH3+])C(=O)N1CCCC1 11960880 351363470 /nfs/dbraw/zinc/36/34/70/351363470.db2.gz SDPYMZWEYMJMGO-VIFPVBQESA-N 1 0 184.283 0.982 50 0 ACAARO CCOc1ccccc1NC(=O)C[NH3+] 11956904 351363489 /nfs/dbraw/zinc/36/34/89/351363489.db2.gz QKOQRDDQEBCMAM-UHFFFAOYSA-N 1 0 194.234 0.983 50 0 ACAARO CC(C)C(=O)N1CCC(C[NH3+])CC1 12381843 351364050 /nfs/dbraw/zinc/36/40/50/351364050.db2.gz PQGOVIYWZKKVET-UHFFFAOYSA-N 1 0 184.283 0.840 50 0 in-vitro ACAARO CC(C)C(=O)N1CCC([NH3+])CC1 12359828 351364172 /nfs/dbraw/zinc/36/41/72/351364172.db2.gz LULDRPDOMFMBIC-UHFFFAOYSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO CC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]1 19409674 351389592 /nfs/dbraw/zinc/38/95/92/351389592.db2.gz MUVJYDKFWDAROM-SFYZADRCSA-N 1 0 170.256 0.653 50 0 ACAARO CC(C)CC(=O)N[C@H]1CCC[NH2+]C1 19404962 351389595 /nfs/dbraw/zinc/38/95/95/351389595.db2.gz YWIVFIVWFMBSQW-VIFPVBQESA-N 1 0 184.283 0.901 50 0 ACAARO c1ncn(C[C@@H]2CCC[NH2+]2)n1 12399024 351365090 /nfs/dbraw/zinc/36/50/90/351365090.db2.gz AGIXGQFDUZRXCT-ZETCQYMHSA-N 1 0 152.201 0.030 50 0 in-vitro ACAARO OCCCC[NH+]1CCCC1 12403768 351365219 /nfs/dbraw/zinc/36/52/19/351365219.db2.gz ONQHKOLMQDHHDN-UHFFFAOYSA-N 1 0 143.230 0.855 50 0 in-vitro ACAARO OCCCC[NH+]1CCOCC1 12403767 351365315 /nfs/dbraw/zinc/36/53/15/351365315.db2.gz URFFPMJFOHTCLI-UHFFFAOYSA-N 1 0 159.229 0.091 50 0 in-vitro ACAARO Oc1ccc2c(c1)C[NH2+]CCN2 12650555 351366457 /nfs/dbraw/zinc/36/64/57/351366457.db2.gz JQYCOQDSDCFYKU-UHFFFAOYSA-N 1 0 164.208 0.907 50 0 in-vitro ACAARO C[C@@H]1CN(CCC[NH3+])C[C@@H](C)O1 12505386 351366488 /nfs/dbraw/zinc/36/64/88/351366488.db2.gz NIFZHABTMWBHTG-RKDXNWHRSA-N 1 0 172.272 0.444 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCC1=O 12650056 351366587 /nfs/dbraw/zinc/36/65/87/351366587.db2.gz KTWRIXHINMYODR-RXMQYKEDSA-N 1 0 113.160 0.185 50 0 in-vitro ACAARO OC[C@H]1[NH2+][C@@H]2CC[C@H]1C2 12506025 351366627 /nfs/dbraw/zinc/36/66/27/351366627.db2.gz CKGOIZORGVFPFX-RRKCRQDMSA-N 1 0 127.187 0.119 50 0 ACAARO CCO[C@@H](C)C[NH3+] 12953661 351367233 /nfs/dbraw/zinc/36/72/33/351367233.db2.gz YFBZSYRSVUOGPF-YFKPBYRVSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO CCO[C@H](C)C[NH3+] 12953665 351367658 /nfs/dbraw/zinc/36/76/58/351367658.db2.gz YFBZSYRSVUOGPF-RXMQYKEDSA-N 1 0 103.165 0.370 50 0 in-vitro ACAARO c1cc([C@H]2C[NH2+]CCO2)n[nH]1 19686683 351393130 /nfs/dbraw/zinc/39/31/30/351393130.db2.gz HHIUHYLOJFTTJK-SSDOTTSWSA-N 1 0 153.185 0.071 50 0 ACAARO C[C@@H]1O[C@@H](O)CC[C@H]1[NH+](C)C 13357631 351368530 /nfs/dbraw/zinc/36/85/30/351368530.db2.gz OSOMGRACWFYJNS-XLPZGREQSA-N 1 0 159.229 0.434 50 0 ACAARO C[C@@H]1O[C@@H](O)CC[C@@H]1[NH+](C)C 13357637 351368571 /nfs/dbraw/zinc/36/85/71/351368571.db2.gz OSOMGRACWFYJNS-BIIVOSGPSA-N 1 0 159.229 0.434 50 0 ACAARO c1cn(C[C@@H]2CCC[NH2+]C2)cn1 13483620 351369245 /nfs/dbraw/zinc/36/92/45/351369245.db2.gz KFQCTIRXHQSXEZ-SECBINFHSA-N 1 0 165.240 0.883 50 0 in-vitro ACAARO O=c1ccccn1CC1CC[NH2+]CC1 13686304 351370881 /nfs/dbraw/zinc/37/08/81/351370881.db2.gz WLPUWPRHPIZJQK-UHFFFAOYSA-N 1 0 192.262 0.848 50 0 in-vivo ACAARO C[C@@H]1C[C@@H](C)C[NH+](CC(N)=O)C1 14194603 351372448 /nfs/dbraw/zinc/37/24/48/351372448.db2.gz NHJNWHCUXALULB-HTQZYQBOSA-N 1 0 170.256 0.450 50 0 ACAARO C[C@@H]1CCC[N@H+](CC(N)=O)C1 14193746 351372821 /nfs/dbraw/zinc/37/28/21/351372821.db2.gz VDUDAWJCIMSEDT-SSDOTTSWSA-N 1 0 156.229 0.204 50 0 in-vitro ACAARO C[C@@H]1O[C@H](O)CC[C@@H]1[NH+](C)C 14420521 351373279 /nfs/dbraw/zinc/37/32/79/351373279.db2.gz OSOMGRACWFYJNS-FXQIFTODSA-N 1 0 159.229 0.434 50 0 ACAARO CC(C)COCC[NH3+] 14628631 351374839 /nfs/dbraw/zinc/37/48/39/351374839.db2.gz ZSLFISNFWCDEIC-UHFFFAOYSA-N 1 0 117.192 0.618 50 0 in-vitro ACAARO CCO[C@H]1CC[NH2+]C1 14632024 351374860 /nfs/dbraw/zinc/37/48/60/351374860.db2.gz KEBOYHJEUFJZPE-LURJTMIESA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO C[C@@H]1CN(C(=O)C(C)(C)C)CC[NH2+]1 14984842 351376957 /nfs/dbraw/zinc/37/69/57/351376957.db2.gz XCVMVRBLFPBDIN-MRVPVSSYSA-N 1 0 184.283 0.853 50 0 ACAARO c1cncc([C@H]2C[NH2+]CCO2)c1 15020731 351377204 /nfs/dbraw/zinc/37/72/04/351377204.db2.gz PPUJWYHBVHJUKY-SECBINFHSA-N 1 0 164.208 0.743 50 0 in-vitro ACAARO C[C@@H]1C[C@@H](O)[C@@H](C)[N@H+](C)C1 15162055 351377662 /nfs/dbraw/zinc/37/76/62/351377662.db2.gz FYSXYJLZTKYTDU-BWZBUEFSSA-N 1 0 143.230 0.707 50 0 ACAARO C[C@@H]1[C@H](O)CC[N@H+](C)[C@@H]1C 15162063 351378016 /nfs/dbraw/zinc/37/80/16/351378016.db2.gz RKKHEISNQPMYEF-XLPZGREQSA-N 1 0 143.230 0.707 50 0 ACAARO O[C@H]1C[NH2+][C@H](c2nc(C3CC3)no2)C1 15674822 351378680 /nfs/dbraw/zinc/37/86/80/351378680.db2.gz ZRGVRQWXMJZKNN-RQJHMYQMSA-N 1 0 195.222 0.342 50 0 ACAARO CC(C)([NH3+])CF 15443435 351379030 /nfs/dbraw/zinc/37/90/30/351379030.db2.gz CHODSSFYKUSDHG-UHFFFAOYSA-N 1 0 91.129 0.693 50 0 in-vitro ACAARO C[C@@H]1CCC[C@@H](CCO)[NH2+]1 15781539 351379165 /nfs/dbraw/zinc/37/91/65/351379165.db2.gz RLVLWHOXXDDCNY-SFYZADRCSA-N 1 0 143.230 0.899 50 0 ACAARO OCCNc1cc[nH+]cc1 15443514 351379201 /nfs/dbraw/zinc/37/92/01/351379201.db2.gz MGSLNQCOIOCSBQ-UHFFFAOYSA-N 1 0 138.170 0.486 50 0 in-vitro ACAARO C[C@@H]1CC[NH+]=C(N)S1 15446575 351379314 /nfs/dbraw/zinc/37/93/14/351379314.db2.gz BATVOUKHGLKDGQ-SCSAIBSYSA-N 1 0 130.216 0.827 50 0 in-vivo ACAARO OCC[NH2+]Cc1ccccc1F 16449678 351380469 /nfs/dbraw/zinc/38/04/69/351380469.db2.gz KQBZLORTKBGHPZ-UHFFFAOYSA-N 1 0 169.199 0.908 50 0 in-vitro ACAARO c1cc(-n2cnnc2)cc[nH+]1 16546125 351380540 /nfs/dbraw/zinc/38/05/40/351380540.db2.gz HGBIXRBWIWLVML-UHFFFAOYSA-N 1 0 146.153 0.662 50 0 in-vitro ACAARO C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 16957852 351381227 /nfs/dbraw/zinc/38/12/27/351381227.db2.gz JQEVYGSMSXMWCB-SECBINFHSA-N 1 0 196.294 0.997 50 0 ACAARO O=C(C[NH+]1CCCC1)NC1CC1 16957729 351381423 /nfs/dbraw/zinc/38/14/23/351381423.db2.gz HSKMXSHZHINELZ-UHFFFAOYSA-N 1 0 168.240 0.361 50 0 ACAARO CC(C)(O)C[NH2+]CC(C)(C)O 17401642 351384067 /nfs/dbraw/zinc/38/40/67/351384067.db2.gz DVEACQFCGKZRJO-UHFFFAOYSA-N 1 0 161.245 0.118 50 0 in-vitro ACAARO Oc1ccc2c(c1)C[NH2+]C2 18530123 351385037 /nfs/dbraw/zinc/38/50/37/351385037.db2.gz URZKENDTAFDRKA-UHFFFAOYSA-N 1 0 135.166 0.995 50 0 in-vitro ACAARO O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 18504309 351385292 /nfs/dbraw/zinc/38/52/92/351385292.db2.gz DPOLLBMYIRHSRA-BIIVOSGPSA-N 1 0 141.214 0.367 50 0 in-vitro ACAARO O[C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 18504307 351385499 /nfs/dbraw/zinc/38/54/99/351385499.db2.gz DPOLLBMYIRHSRA-CSMHCCOUSA-N 1 0 141.214 0.367 50 0 ACAARO c1cn(C[C@H]2CCC[NH2+]2)cn1 19090131 351386470 /nfs/dbraw/zinc/38/64/70/351386470.db2.gz VLNMFRPPGPXJHP-MRVPVSSYSA-N 1 0 151.213 0.635 50 0 in-vitro ACAARO c1cn(CC2CC[NH2+]CC2)cn1 19089509 351386525 /nfs/dbraw/zinc/38/65/25/351386525.db2.gz ZPCQDEWEJQHOJX-UHFFFAOYSA-N 1 0 165.240 0.883 50 0 in-vitro ACAARO c1cn(C[C@@H]2CCC[NH2+]2)cn1 19090134 351386534 /nfs/dbraw/zinc/38/65/34/351386534.db2.gz VLNMFRPPGPXJHP-QMMMGPOBSA-N 1 0 151.213 0.635 50 0 ACAARO C[C@@H]1C[NH2+]C[C@@H](C2CC2)O1 18879429 351386554 /nfs/dbraw/zinc/38/65/54/351386554.db2.gz RNKRUMKDAJVRSL-SVRRBLITSA-N 1 0 141.214 0.773 50 0 in-vitro ACAARO c1ccc(N2CCC[NH2+]CC2)nc1 19015194 351386574 /nfs/dbraw/zinc/38/65/74/351386574.db2.gz YIVVBOYHOANILT-UHFFFAOYSA-N 1 0 177.251 0.881 50 0 in-vitro ACAARO O[C@H]1CC[NH2+][C@H](C2CC2)C1 18879307 351386632 /nfs/dbraw/zinc/38/66/32/351386632.db2.gz ZHJOIISPSJWGHQ-YUMQZZPRSA-N 1 0 141.214 0.509 50 0 ACAARO O[C@@H]1CC[NH2+][C@H](C2CC2)C1 18879304 351386749 /nfs/dbraw/zinc/38/67/49/351386749.db2.gz ZHJOIISPSJWGHQ-SFYZADRCSA-N 1 0 141.214 0.509 50 0 ACAARO CC(C)(O)[C@@H]1CCC[NH2+]C1 19090891 351386755 /nfs/dbraw/zinc/38/67/55/351386755.db2.gz GWVNRACDDXBNBZ-SSDOTTSWSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO OCC[NH2+]Cc1nccs1 19088242 351386856 /nfs/dbraw/zinc/38/68/56/351386856.db2.gz YCSRGRSELGVIMG-UHFFFAOYSA-N 1 0 158.226 0.225 50 0 in-vitro ACAARO CC(C)(O)[C@H]1CCC[NH2+]C1 19090894 351386870 /nfs/dbraw/zinc/38/68/70/351386870.db2.gz GWVNRACDDXBNBZ-ZETCQYMHSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO c1cnn(CC2CC[NH2+]CC2)c1 19089506 351386954 /nfs/dbraw/zinc/38/69/54/351386954.db2.gz ZLTMCLFJUNUCHO-UHFFFAOYSA-N 1 0 165.240 0.883 50 0 in-vitro ACAARO CCOc1ncccc1C[NH3+] 19093251 351387224 /nfs/dbraw/zinc/38/72/24/351387224.db2.gz STCIIFCOOYREBT-UHFFFAOYSA-N 1 0 152.197 0.939 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])c1ncnn1C 19091744 351387574 /nfs/dbraw/zinc/38/75/74/351387574.db2.gz YOIGCOHFFYEZLZ-SSDOTTSWSA-N 1 0 168.244 0.861 50 0 in-vitro ACAARO CC(C)C(=O)NC1CC[NH2+]CC1 19256976 351387657 /nfs/dbraw/zinc/38/76/57/351387657.db2.gz BNCQNRLNKWZODO-UHFFFAOYSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO CC(C)C(=O)N1CCC[C@@H]([NH3+])C1 19093069 351387830 /nfs/dbraw/zinc/38/78/30/351387830.db2.gz TVKJZIJEHHMBTL-MRVPVSSYSA-N 1 0 170.256 0.592 50 0 in-vitro ACAARO C[C@@H]1CN(CC[NH3+])C[C@@H](C)O1 19230035 351387840 /nfs/dbraw/zinc/38/78/40/351387840.db2.gz GLOJLKCUVTZRFO-HTQZYQBOSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CC(C)C[NH+]1CCNCC1 19230002 351387941 /nfs/dbraw/zinc/38/79/41/351387941.db2.gz HUUQNWZMQSLPMX-UHFFFAOYSA-N 1 0 142.246 0.548 50 0 in-vitro ACAARO C[C@@H]1CCCCN1C(=O)CC[NH3+] 19262122 351388680 /nfs/dbraw/zinc/38/86/80/351388680.db2.gz XOLCLLAEGSANBM-MRVPVSSYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO CC(C)CC(=O)NC1CC[NH2+]CC1 19260346 351388640 /nfs/dbraw/zinc/38/86/40/351388640.db2.gz IFVOKHUIFYZSKL-UHFFFAOYSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)C(=O)NC[C@@H]1CCC[NH2+]C1 19283088 351388660 /nfs/dbraw/zinc/38/86/60/351388660.db2.gz JCOIHRBJEBTAKD-SECBINFHSA-N 1 0 184.283 0.758 50 0 in-vitro ACAARO CC(C)C(=O)NC[C@H]1CCC[NH2+]C1 19283090 351388719 /nfs/dbraw/zinc/38/87/19/351388719.db2.gz JCOIHRBJEBTAKD-VIFPVBQESA-N 1 0 184.283 0.758 50 0 in-vitro ACAARO C[C@@H]1N[C@H](C)[C@@H](C)[NH2+][C@H]1C 19370453 351389173 /nfs/dbraw/zinc/38/91/73/351389173.db2.gz ICGDKKACLISIAM-ODANAHCNSA-N 1 0 142.246 0.733 50 0 ACAARO c1coc([C@H]2C[NH2+]CCN2)c1 19370455 351389297 /nfs/dbraw/zinc/38/92/97/351389297.db2.gz LOKVZWIGUJYFLY-SSDOTTSWSA-N 1 0 152.197 0.514 50 0 ACAARO CC(C)CNC(=O)[C@H]1CCC[NH2+]1 19412709 351389477 /nfs/dbraw/zinc/38/94/77/351389477.db2.gz BXSADHSYWIGZJV-MRVPVSSYSA-N 1 0 170.256 0.511 50 0 ACAARO CC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 19409678 351389528 /nfs/dbraw/zinc/38/95/28/351389528.db2.gz MUVJYDKFWDAROM-HTQZYQBOSA-N 1 0 170.256 0.653 50 0 ACAARO CC[C@@H](C)NC(=O)C[NH2+]C 19404625 351389545 /nfs/dbraw/zinc/38/95/45/351389545.db2.gz BISYWLMQJSJTNY-ZCFIWIBFSA-N 1 0 144.218 0.121 50 0 ACAARO CC(C)CNC(=O)[C@H]1CCCC[NH2+]1 19413018 351389553 /nfs/dbraw/zinc/38/95/53/351389553.db2.gz DRVXUMFNQUQULU-SECBINFHSA-N 1 0 184.283 0.901 50 0 ACAARO CC(C)([NH3+])C[NH2+]C(C)(C)CO 19367774 351389573 /nfs/dbraw/zinc/38/95/73/351389573.db2.gz KELFTKQGPKSTJH-UHFFFAOYSA-N 1 0 160.261 0.084 50 0 in-vitro ACAARO CC(C)C(=O)N[C@@H]1CCC[NH2+]C1 19384801 351389637 /nfs/dbraw/zinc/38/96/37/351389637.db2.gz LUQMAIJPUJURSU-MRVPVSSYSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO C[C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 19475140 351390753 /nfs/dbraw/zinc/39/07/53/351390753.db2.gz RHRGYSCEYCBJMG-HTQZYQBOSA-N 1 0 170.256 0.592 50 0 ACAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)C 19472652 351390755 /nfs/dbraw/zinc/39/07/55/351390755.db2.gz VINQQWZFGIKZAZ-SSDOTTSWSA-N 1 0 158.245 0.448 50 0 in-vitro ACAARO CC[C@@H](C)NC(=O)[C@@H](C)[NH3+] 19475103 351390757 /nfs/dbraw/zinc/39/07/57/351390757.db2.gz MZBPIBHKPQRGGT-PHDIDXHHSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO c1cnc(NC2CC[NH2+]CC2)nc1 19472455 351390776 /nfs/dbraw/zinc/39/07/76/351390776.db2.gz HQPSCRCCYZGOIV-UHFFFAOYSA-N 1 0 178.239 0.641 50 0 in-vitro ACAARO CC[C@@H](C)[C@H]([NH3+])C(=O)NC 19439068 351390786 /nfs/dbraw/zinc/39/07/86/351390786.db2.gz PCWZFJQSFIEREL-RITPCOANSA-N 1 0 144.218 0.106 50 0 ACAARO CC(C)C[C@@H]([NH3+])C(=O)NC(C)C 19441203 351390795 /nfs/dbraw/zinc/39/07/95/351390795.db2.gz AEIHZGOSMYYCAH-MRVPVSSYSA-N 1 0 172.272 0.884 50 0 ACAARO CC(C)CNC(=O)[C@H]([NH3+])C(C)C 19477126 351390821 /nfs/dbraw/zinc/39/08/21/351390821.db2.gz GCNQFWALMAHDQL-MRVPVSSYSA-N 1 0 172.272 0.742 50 0 ACAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC 19439064 351390860 /nfs/dbraw/zinc/39/08/60/351390860.db2.gz PCWZFJQSFIEREL-PHDIDXHHSA-N 1 0 144.218 0.106 50 0 ACAARO CC[C@@H](C)NC(=O)[C@H](C)[NH3+] 19475107 351390958 /nfs/dbraw/zinc/39/09/58/351390958.db2.gz MZBPIBHKPQRGGT-RITPCOANSA-N 1 0 144.218 0.248 50 0 in-vitro ACAARO C[C@@H]1CN(C2CC[NH2+]CC2)CCO1 19484633 351391104 /nfs/dbraw/zinc/39/11/04/351391104.db2.gz URIKZZBNEUKVAN-SECBINFHSA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])C(=O)NC1CC1 19476706 351391188 /nfs/dbraw/zinc/39/11/88/351391188.db2.gz AOCXGTGWKFAMDR-MRVPVSSYSA-N 1 0 170.256 0.638 50 0 ACAARO C[C@@H]1CCCN(C(=O)C[NH3+])C1 19505028 351391291 /nfs/dbraw/zinc/39/12/91/351391291.db2.gz FTQDJJNFBVZHEN-SSDOTTSWSA-N 1 0 156.229 0.204 50 0 ACAARO c1cnc(NC2CC[NH2+]CC2)cn1 19477730 351391480 /nfs/dbraw/zinc/39/14/80/351391480.db2.gz SSBUPTKVIRFMMT-UHFFFAOYSA-N 1 0 178.239 0.641 50 0 ACAARO CC[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C 19478754 351391604 /nfs/dbraw/zinc/39/16/04/351391604.db2.gz PJSLBNWKRDGEAM-HTQZYQBOSA-N 1 0 172.272 0.884 50 0 ACAARO CC[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C 19478750 351391678 /nfs/dbraw/zinc/39/16/78/351391678.db2.gz PJSLBNWKRDGEAM-SFYZADRCSA-N 1 0 172.272 0.884 50 0 ACAARO CC(C)C[C@H]([NH3+])C(=O)N(C)C 19472654 351391726 /nfs/dbraw/zinc/39/17/26/351391726.db2.gz VINQQWZFGIKZAZ-ZETCQYMHSA-N 1 0 158.245 0.448 50 0 in-vitro ACAARO C[C@@H]1CCCCN1C(=O)C[NH3+] 19514567 351392054 /nfs/dbraw/zinc/39/20/54/351392054.db2.gz PKURTDDRTXPMFY-SSDOTTSWSA-N 1 0 156.229 0.346 50 0 ACAARO CC(C)C(=O)NCCC[NH3+] 19507665 351392263 /nfs/dbraw/zinc/39/22/63/351392263.db2.gz GZHDSRBTCOHPIG-UHFFFAOYSA-N 1 0 144.218 0.107 50 0 in-vitro ACAARO CC(C)CNC(=O)[C@@H](C)[NH3+] 19508446 351392273 /nfs/dbraw/zinc/39/22/73/351392273.db2.gz DOHLDWQZEPRKEW-ZCFIWIBFSA-N 1 0 144.218 0.106 50 0 ACAARO c1cc([C@H]2CCC[NH2+]C2)n[nH]1 19685962 351392677 /nfs/dbraw/zinc/39/26/77/351392677.db2.gz DZMZZFAVAYXTJD-ZETCQYMHSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO c1cc([C@@H]2CCC[NH2+]C2)ncn1 19686350 351392778 /nfs/dbraw/zinc/39/27/78/351392778.db2.gz AOEQLGOAKGIRDB-MRVPVSSYSA-N 1 0 163.224 0.944 50 0 in-vitro ACAARO OCCc1cc([C@H]2CCC[NH2+]C2)[nH]n1 19686218 351392816 /nfs/dbraw/zinc/39/28/16/351392816.db2.gz YABRAFXKGPUOMC-QMMMGPOBSA-N 1 0 195.266 0.412 50 0 ACAARO c1cc([C@H]2CC[NH2+]C2)n[nH]1 19686657 351392827 /nfs/dbraw/zinc/39/28/27/351392827.db2.gz NQUKCXGPCOPNRA-LURJTMIESA-N 1 0 137.186 0.487 50 0 ACAARO c1cc([C@@H]2C[NH2+]CCO2)n[nH]1 19686685 351392889 /nfs/dbraw/zinc/39/28/89/351392889.db2.gz HHIUHYLOJFTTJK-ZETCQYMHSA-N 1 0 153.185 0.071 50 0 ACAARO c1ccc([C@@H]2C[NH2+]CCO2)nc1 19686862 351392928 /nfs/dbraw/zinc/39/29/28/351392928.db2.gz FJJYSUQONMBDJJ-VIFPVBQESA-N 1 0 164.208 0.743 50 0 in-vitro ACAARO OCCc1cc([C@@H]2CCC[NH2+]2)no1 19686288 351392937 /nfs/dbraw/zinc/39/29/37/351392937.db2.gz CPJIYFNFJJPELC-QMMMGPOBSA-N 1 0 182.223 0.634 50 0 ACAARO OCCc1cc([C@H]2CC[NH2+]C2)[nH]n1 19686661 351392957 /nfs/dbraw/zinc/39/29/57/351392957.db2.gz YVUBPEVYXRWDCL-ZETCQYMHSA-N 1 0 181.239 0.021 50 0 ACAARO OCc1cc([C@H]2CCC[NH2+]C2)n[nH]1 19686214 351393008 /nfs/dbraw/zinc/39/30/08/351393008.db2.gz PGMIOJQYCAZRBT-ZETCQYMHSA-N 1 0 181.239 0.369 50 0 ACAARO OCCc1cc([C@@H]2CCC[NH2+]C2)[nH]n1 19686216 351393025 /nfs/dbraw/zinc/39/30/25/351393025.db2.gz YABRAFXKGPUOMC-MRVPVSSYSA-N 1 0 195.266 0.412 50 0 ACAARO OCCc1cc([C@@H]2CCCC[NH2+]2)[nH]n1 19686252 351393039 /nfs/dbraw/zinc/39/30/39/351393039.db2.gz OOASKDDSXRVAAN-VIFPVBQESA-N 1 0 195.266 0.759 50 0 ACAARO OCc1cc([C@H]2CCCC[NH2+]2)[nH]n1 19686250 351393043 /nfs/dbraw/zinc/39/30/43/351393043.db2.gz DWKDEXSMFZHIBD-MRVPVSSYSA-N 1 0 181.239 0.717 50 0 ACAARO OCCc1cc(C2CC[NH2+]CC2)[nH]n1 19686198 351393059 /nfs/dbraw/zinc/39/30/59/351393059.db2.gz NXYQFKPLPTXJLD-UHFFFAOYSA-N 1 0 195.266 0.412 50 0 ACAARO OCCc1cc([C@H]2CCC[NH2+]2)[nH]n1 19686286 351393085 /nfs/dbraw/zinc/39/30/85/351393085.db2.gz QNZVDMAUVMAQIR-MRVPVSSYSA-N 1 0 181.239 0.369 50 0 ACAARO OCCc1cc([C@@H]2CC[NH2+]C2)no1 19686667 351393112 /nfs/dbraw/zinc/39/31/12/351393112.db2.gz SFAODANWSYOKCJ-SSDOTTSWSA-N 1 0 182.223 0.286 50 0 ACAARO OCCc1cc([C@H]2CCC[NH2+]2)no1 19686290 351393148 /nfs/dbraw/zinc/39/31/48/351393148.db2.gz CPJIYFNFJJPELC-MRVPVSSYSA-N 1 0 182.223 0.634 50 0 ACAARO c1ccc([C@H]2C[NH2+]CCO2)nc1 19686860 351393163 /nfs/dbraw/zinc/39/31/63/351393163.db2.gz FJJYSUQONMBDJJ-SECBINFHSA-N 1 0 164.208 0.743 50 0 in-vitro ACAARO OCc1cc([C@@H]2CCC[NH2+]2)[nH]n1 19686280 351393185 /nfs/dbraw/zinc/39/31/85/351393185.db2.gz AFPVTTBPBVLOFU-ZETCQYMHSA-N 1 0 167.212 0.327 50 0 ACAARO c1cc([C@@H]2CCC[NH2+]2)ncn1 19686456 351393194 /nfs/dbraw/zinc/39/31/94/351393194.db2.gz AXENJVBPOZAZTL-ZETCQYMHSA-N 1 0 149.197 0.901 50 0 in-vitro ACAARO OCCn1cncc1C1CC[NH2+]CC1 19686478 351393205 /nfs/dbraw/zinc/39/32/05/351393205.db2.gz BMCZOVNVBKQRHW-UHFFFAOYSA-N 1 0 195.266 0.342 50 0 ACAARO OCCc1cc([C@@H]2CC[NH2+]C2)[nH]n1 19686659 351393211 /nfs/dbraw/zinc/39/32/11/351393211.db2.gz YVUBPEVYXRWDCL-SSDOTTSWSA-N 1 0 181.239 0.021 50 0 ACAARO OCCc1cc([C@H]2CCCC[NH2+]2)[nH]n1 19686254 351393228 /nfs/dbraw/zinc/39/32/28/351393228.db2.gz OOASKDDSXRVAAN-SECBINFHSA-N 1 0 195.266 0.759 50 0 ACAARO OCc1cc([C@H]2CCC[NH2+]2)[nH]n1 19686282 351393236 /nfs/dbraw/zinc/39/32/36/351393236.db2.gz AFPVTTBPBVLOFU-SSDOTTSWSA-N 1 0 167.212 0.327 50 0 ACAARO c1cc([C@@H]2CCC[NH2+]2)n[nH]1 19686274 351393241 /nfs/dbraw/zinc/39/32/41/351393241.db2.gz MHSGZEFYVKSBLF-LURJTMIESA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO OCc1cc([C@@H]2CCCC[NH2+]2)[nH]n1 19686248 351393245 /nfs/dbraw/zinc/39/32/45/351393245.db2.gz DWKDEXSMFZHIBD-QMMMGPOBSA-N 1 0 181.239 0.717 50 0 ACAARO CC(C)([NH3+])CN1CCOCC1 19685437 351393293 /nfs/dbraw/zinc/39/32/93/351393293.db2.gz JCXYZQUYVNLCTG-UHFFFAOYSA-N 1 0 158.245 0.056 50 0 in-vitro ACAARO c1cc([C@@H]2CC[NH2+]C2)n[nH]1 19686655 351393296 /nfs/dbraw/zinc/39/32/96/351393296.db2.gz NQUKCXGPCOPNRA-ZCFIWIBFSA-N 1 0 137.186 0.487 50 0 ACAARO c1cc([C@H]2CCC[NH2+]C2)ncn1 19686348 351393301 /nfs/dbraw/zinc/39/33/01/351393301.db2.gz AOEQLGOAKGIRDB-QMMMGPOBSA-N 1 0 163.224 0.944 50 0 in-vitro ACAARO OCc1cc([C@@H]2CCC[NH2+]C2)n[nH]1 19686212 351393311 /nfs/dbraw/zinc/39/33/11/351393311.db2.gz PGMIOJQYCAZRBT-SSDOTTSWSA-N 1 0 181.239 0.369 50 0 ACAARO c1cc([C@@H]2CCC[NH2+]C2)n[nH]1 19685964 351393337 /nfs/dbraw/zinc/39/33/37/351393337.db2.gz DZMZZFAVAYXTJD-SSDOTTSWSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO O[C@H]1CCCC[C@@H]1N1CC[NH2+]CC1 19735691 351393765 /nfs/dbraw/zinc/39/37/65/351393765.db2.gz FQHUZPOZJAVZIW-UWVGGRQHSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO CC[C@@H](C)[NH2+]CCC(=O)NC 19737010 351393779 /nfs/dbraw/zinc/39/37/79/351393779.db2.gz MCLWFHNCWWQPSP-SSDOTTSWSA-N 1 0 158.245 0.511 50 0 ACAARO c1csc([C@@H]2C[NH2+]CCN2)c1 19772828 351393798 /nfs/dbraw/zinc/39/37/98/351393798.db2.gz BFVCDPJJFUPNAQ-ZETCQYMHSA-N 1 0 168.265 0.982 50 0 in-vitro ACAARO O[C@H]1CCCC[C@H]1N1CC[NH2+]CC1 19735693 351393865 /nfs/dbraw/zinc/39/38/65/351393865.db2.gz FQHUZPOZJAVZIW-ZJUUUORDSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO C[C@@H]1Nc2cc[nH+]cc2NC1=O 19763830 351393874 /nfs/dbraw/zinc/39/38/74/351393874.db2.gz QMYSSJDBKNGLKT-YFKPBYRVSA-N 1 0 163.180 0.834 50 0 in-vitro ACAARO O[C@@H]1CCCC[C@H]1N1CC[NH2+]CC1 19735692 351393994 /nfs/dbraw/zinc/39/39/94/351393994.db2.gz FQHUZPOZJAVZIW-NXEZZACHSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO c1coc(CN2CC[NH2+]CC2)c1 19735430 351394035 /nfs/dbraw/zinc/39/40/35/351394035.db2.gz GQSSZKRUQKGOJB-UHFFFAOYSA-N 1 0 166.224 0.685 50 0 in-vitro ACAARO CC[C@@H](C)[NH+]1CCNCC1 19735214 351394101 /nfs/dbraw/zinc/39/41/01/351394101.db2.gz ZHHCLIRTNOSAPB-MRVPVSSYSA-N 1 0 142.246 0.690 50 0 in-vitro ACAARO C[C@@H]1CCCC[N@@H+]1CCN 19735201 351394217 /nfs/dbraw/zinc/39/42/17/351394217.db2.gz DBSDZVMWEMKFCH-MRVPVSSYSA-N 1 0 142.246 0.820 50 0 in-vitro ACAARO O[C@@H]1CCCC[C@@H]1N1CC[NH2+]CC1 19735690 351394253 /nfs/dbraw/zinc/39/42/53/351394253.db2.gz FQHUZPOZJAVZIW-VHSXEESVSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO c1csc([C@H]2C[NH2+]CCN2)c1 19772827 351394403 /nfs/dbraw/zinc/39/44/03/351394403.db2.gz BFVCDPJJFUPNAQ-SSDOTTSWSA-N 1 0 168.265 0.982 50 0 in-vitro ACAARO CC[C@@H](C)[NH2+]CCC(=O)OC 19736849 351394474 /nfs/dbraw/zinc/39/44/74/351394474.db2.gz XQUBWHFNZRENJY-SSDOTTSWSA-N 1 0 159.229 0.938 50 0 ACAARO CC[C@@H](C)[NH2+]CCC(N)=O 19736853 351394566 /nfs/dbraw/zinc/39/45/66/351394566.db2.gz KWJYYZUWOIHOIE-ZCFIWIBFSA-N 1 0 144.218 0.250 50 0 ACAARO CC(C)CC[NH+]1CCNCC1 19737248 351394647 /nfs/dbraw/zinc/39/46/47/351394647.db2.gz IOCDAGIYEHKJRS-UHFFFAOYSA-N 1 0 156.273 0.938 50 0 in-vitro ACAARO C[C@@H]1[NH2+][C@H](C)[C@@H](C)N[C@@H]1C 19799710 351395226 /nfs/dbraw/zinc/39/52/26/351395226.db2.gz ICGDKKACLISIAM-XUTVFYLZSA-N 1 0 142.246 0.733 50 0 ACAARO C[C@@H]1C[NH2+]C[C@@H](C)N1C1CC1 19801200 351395292 /nfs/dbraw/zinc/39/52/92/351395292.db2.gz CXULSVFOEQUSKU-HTQZYQBOSA-N 1 0 154.257 0.831 50 0 ACAARO CC(C)COC(=O)N1CC[NH2+]CC1 19815548 351395308 /nfs/dbraw/zinc/39/53/08/351395308.db2.gz KPEKTRARZLEBCG-UHFFFAOYSA-N 1 0 186.255 0.684 50 0 in-vitro ACAARO OC[C@H]1Cc2ccccc2C[NH2+]1 19802513 351395358 /nfs/dbraw/zinc/39/53/58/351395358.db2.gz ZSKDXMLMMQFHGW-SNVBAGLBSA-N 1 0 163.220 0.693 50 0 in-vivo ACAARO C[C@@H]1CCCC[N@@H+]1CCO 19785889 351395381 /nfs/dbraw/zinc/39/53/81/351395381.db2.gz DUAIISPCCJPFDG-MRVPVSSYSA-N 1 0 143.230 0.853 50 0 in-vitro ACAARO c1ccn(CCN2CC[NH2+]CC2)c1 19850319 351395453 /nfs/dbraw/zinc/39/54/53/351395453.db2.gz JEDZVCLTESTPSI-UHFFFAOYSA-N 1 0 179.267 0.393 50 0 in-vitro ACAARO OC[C@@H]1Cc2ccccc2C[NH2+]1 19798351 351395624 /nfs/dbraw/zinc/39/56/24/351395624.db2.gz ZSKDXMLMMQFHGW-JTQLQIEISA-N 1 0 163.220 0.693 50 0 in-vivo ACAARO C[C@@H]1CCC[N@H+](CCO)C1 19785891 351395786 /nfs/dbraw/zinc/39/57/86/351395786.db2.gz CAMLJDZKPYMXOK-MRVPVSSYSA-N 1 0 143.230 0.711 50 0 ACAARO c1cncc([C@@H]2C[NH2+]CCN2)c1 19850805 351395923 /nfs/dbraw/zinc/39/59/23/351395923.db2.gz CGUDKJYHYOYXAQ-VIFPVBQESA-N 1 0 163.224 0.316 50 0 in-vitro ACAARO c1cncc([C@H]2C[NH2+]CCN2)c1 19850803 351395938 /nfs/dbraw/zinc/39/59/38/351395938.db2.gz CGUDKJYHYOYXAQ-SECBINFHSA-N 1 0 163.224 0.316 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCS1 19875244 351396755 /nfs/dbraw/zinc/39/67/55/351396755.db2.gz MHHCLPHGZOISFK-RXMQYKEDSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO C[C@@H]1CSCC[NH2+]1 19875246 351396915 /nfs/dbraw/zinc/39/69/15/351396915.db2.gz KZZPRWYOUNLBQK-RXMQYKEDSA-N 1 0 117.217 0.711 50 0 in-vitro ACAARO CC(C)C[NH2+]CCN1CCOCC1 19954029 351398705 /nfs/dbraw/zinc/39/87/05/351398705.db2.gz OSCOAKBHFMIEMW-UHFFFAOYSA-N 1 0 186.299 0.564 50 0 ACAARO CC(C)C[NH+]1CCOCC1 19943523 351398732 /nfs/dbraw/zinc/39/87/32/351398732.db2.gz QKVSMSABRNCNRS-UHFFFAOYSA-N 1 0 143.230 0.975 50 0 in-vitro ACAARO OCC[NH+]1Cc2ccccc2C1 20028309 351398787 /nfs/dbraw/zinc/39/87/87/351398787.db2.gz RPYLGKKUWYIZNY-UHFFFAOYSA-N 1 0 163.220 0.995 50 0 ACAARO CC[C@@H](C)[NH2+]CC(=O)N(C)C 20036398 351399874 /nfs/dbraw/zinc/39/98/74/351399874.db2.gz UGAVYSXDHMRKQB-SSDOTTSWSA-N 1 0 158.245 0.463 50 0 ACAARO c1n[nH]cc1C1CC[NH2+]CC1 20080838 351400080 /nfs/dbraw/zinc/40/00/80/351400080.db2.gz PXQUZLDSPUWIHH-UHFFFAOYSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO CC(C)C[C@H]([NH3+])CN(C)C 20074026 351400335 /nfs/dbraw/zinc/40/03/35/351400335.db2.gz SYGGWSCXCCJJFT-QMMMGPOBSA-N 1 0 144.262 0.921 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])CN(C)C 20074024 351400364 /nfs/dbraw/zinc/40/03/64/351400364.db2.gz SYGGWSCXCCJJFT-MRVPVSSYSA-N 1 0 144.262 0.921 50 0 in-vitro ACAARO CC(C)C[NH2+]CC(=O)N(C)C 20036803 351400383 /nfs/dbraw/zinc/40/03/83/351400383.db2.gz OVOXNGZIJFNIJV-UHFFFAOYSA-N 1 0 158.245 0.320 50 0 ACAARO C[C@@H]1CO[C@H](C)C[NH2+]1 20282325 351404209 /nfs/dbraw/zinc/40/42/09/351404209.db2.gz RPSYMAMREDJAES-PHDIDXHHSA-N 1 0 115.176 0.383 50 0 ACAARO OCCC[NH2+]C1CCCC1 20187789 351401337 /nfs/dbraw/zinc/40/13/37/351401337.db2.gz IHGWOXFZBHODPN-UHFFFAOYSA-N 1 0 143.230 0.901 50 0 ACAARO OCCC[NH2+][C@@H]1CCSC1 20187801 351401499 /nfs/dbraw/zinc/40/14/99/351401499.db2.gz AMBHMLDGFGXCPY-SSDOTTSWSA-N 1 0 161.270 0.464 50 0 ACAARO OCCC[NH2+][C@H]1CCSC1 20187803 351401717 /nfs/dbraw/zinc/40/17/17/351401717.db2.gz AMBHMLDGFGXCPY-ZETCQYMHSA-N 1 0 161.270 0.464 50 0 ACAARO C[C@@H]1C[NH2+]CCCO1 20269603 351402358 /nfs/dbraw/zinc/40/23/58/351402358.db2.gz HQKJQSCCAMQSPY-ZCFIWIBFSA-N 1 0 115.176 0.385 50 0 in-vitro ACAARO O[C@H](CN1CC[NH2+]CC1)c1ccco1 20264215 351402603 /nfs/dbraw/zinc/40/26/03/351402603.db2.gz UEEAIVAMUGLAFR-SECBINFHSA-N 1 0 196.250 0.218 50 0 in-vitro ACAARO C[C@@H]1CN(C)CC[N@@H+]1C 20230763 351402794 /nfs/dbraw/zinc/40/27/94/351402794.db2.gz UAIVFDJJMVMUGY-SSDOTTSWSA-N 1 0 128.219 0.252 50 0 ACAARO CC(C)CCC(=O)N1CC[NH2+]CC1 20248619 351402907 /nfs/dbraw/zinc/40/29/07/351402907.db2.gz WTTMKNYUCLJJKZ-UHFFFAOYSA-N 1 0 184.283 0.854 50 0 in-vitro ACAARO CCS(=O)(=O)c1cccc(C[NH3+])c1 20263249 351403146 /nfs/dbraw/zinc/40/31/46/351403146.db2.gz PATBAXHTZOVOMD-UHFFFAOYSA-N 1 0 199.275 0.939 50 0 ACAARO CCS(=O)(=O)c1ccc(C[NH3+])cc1 20263247 351403317 /nfs/dbraw/zinc/40/33/17/351403317.db2.gz SLAFBMBRXKFTDS-UHFFFAOYSA-N 1 0 199.275 0.939 50 0 in-vitro ACAARO C[C@@H]1C[C@H]1C(=O)N1CC[NH2+]CC1 20284252 351403590 /nfs/dbraw/zinc/40/35/90/351403590.db2.gz SMLHLXHCIJUNJT-HTQZYQBOSA-N 1 0 168.240 0.074 50 0 in-vitro ACAARO OCC[NH2+]C[C@H]1CC=CCC1 20305891 351403862 /nfs/dbraw/zinc/40/38/62/351403862.db2.gz UKFIPVORYUKKQU-VIFPVBQESA-N 1 0 155.241 0.925 50 0 in-vitro ACAARO OCC[NH2+]C[C@@H]1CC=CCC1 20305892 351404018 /nfs/dbraw/zinc/40/40/18/351404018.db2.gz UKFIPVORYUKKQU-SECBINFHSA-N 1 0 155.241 0.925 50 0 in-vitro ACAARO c1ncc2c(n1)CC[NH2+]C2 20383433 351404314 /nfs/dbraw/zinc/40/43/14/351404314.db2.gz STXKJIIHKFGUCY-UHFFFAOYSA-N 1 0 135.170 0.122 50 0 in-vitro ACAARO CC(C)C1=NO[C@@H](C[NH3+])C1 20439517 351405276 /nfs/dbraw/zinc/40/52/76/351405276.db2.gz YGWFIJQFVZPVGH-ZCFIWIBFSA-N 1 0 142.202 0.746 50 0 ACAARO CC(C)C1=NO[C@H](C[NH3+])C1 20439521 351405351 /nfs/dbraw/zinc/40/53/51/351405351.db2.gz YGWFIJQFVZPVGH-LURJTMIESA-N 1 0 142.202 0.746 50 0 ACAARO c1cc2c(cn1)C[NH2+]CC2 20446503 351405864 /nfs/dbraw/zinc/40/58/64/351405864.db2.gz OZTPQWRLHLQVBD-UHFFFAOYSA-N 1 0 134.182 0.727 50 0 in-vitro ACAARO c1ncc2c(n1)CC[NH2+]CC2 20446457 351405905 /nfs/dbraw/zinc/40/59/05/351405905.db2.gz GSBPAKVXTRJZPG-UHFFFAOYSA-N 1 0 149.197 0.165 50 0 in-vitro ACAARO C[C@@]([NH3+])(C(N)=O)c1ccccc1 20506667 351406302 /nfs/dbraw/zinc/40/63/02/351406302.db2.gz HGKUPDZBTAQFGJ-VIFPVBQESA-N 1 0 164.208 0.346 50 0 in-vitro ACAARO CC(C)C(=O)N1CCC[N@H+](C)CC1 20495772 351406365 /nfs/dbraw/zinc/40/63/65/351406365.db2.gz WTQMZSGYZAJCEW-UHFFFAOYSA-N 1 0 184.283 0.807 50 0 ACAARO C[C@@H]1CN(C2CC2)C[C@@H]1[NH3+] 20775028 351407596 /nfs/dbraw/zinc/40/75/96/351407596.db2.gz KJSCOXHVQCIXQY-SVRRBLITSA-N 1 0 140.230 0.428 50 0 in-vitro ACAARO c1cn(C2CC[NH2+]CC2)cn1 21298052 351407974 /nfs/dbraw/zinc/40/79/74/351407974.db2.gz WVBVSEUWCRPAPY-UHFFFAOYSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO C[C@@H]1NCC[N@@H+]2CCC[C@@H]12 20999724 351407797 /nfs/dbraw/zinc/40/77/97/351407797.db2.gz JTFHNFCIQLHQAY-YUMQZZPRSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO O[C@@H]1C[NH2+]Cc2ccccc21 20971900 351407996 /nfs/dbraw/zinc/40/79/96/351407996.db2.gz HTHIHJJKFYXSOQ-SECBINFHSA-N 1 0 149.193 0.823 50 0 in-vitro ACAARO CCO[C@H](C)C[NH2+]C 21953265 351408345 /nfs/dbraw/zinc/40/83/45/351408345.db2.gz KJTUSBFXQJSKIW-ZCFIWIBFSA-N 1 0 117.192 0.631 50 0 in-vitro ACAARO CC(C)C[N@@H+]1CCO[C@@H](CO)C1 21951443 351408855 /nfs/dbraw/zinc/40/88/55/351408855.db2.gz HQDJQJVJHWSKDS-SECBINFHSA-N 1 0 173.256 0.336 50 0 in-vitro ACAARO CC(C)C[N@@H+]1CCO[C@H](CO)C1 21951445 351409022 /nfs/dbraw/zinc/40/90/22/351409022.db2.gz HQDJQJVJHWSKDS-VIFPVBQESA-N 1 0 173.256 0.336 50 0 in-vitro ACAARO OCCCNc1cc[nH+]cc1 21801695 351409042 /nfs/dbraw/zinc/40/90/42/351409042.db2.gz BPEXRVODEMJKPI-UHFFFAOYSA-N 1 0 152.197 0.876 50 0 in-vitro ACAARO CC(C)([NH3+])CCO 21999608 351410870 /nfs/dbraw/zinc/41/08/70/351410870.db2.gz PHRHXTTZZWUGNN-UHFFFAOYSA-N 1 0 103.165 0.106 50 0 in-vitro ACAARO c1cc([C@H]2C[NH2+]CCN2)cs1 22113713 351412064 /nfs/dbraw/zinc/41/20/64/351412064.db2.gz CNCNNYFNOXHYAC-MRVPVSSYSA-N 1 0 168.265 0.982 50 0 in-vitro ACAARO c1cc([C@@H]2C[NH2+]CCN2)cs1 22113717 351412777 /nfs/dbraw/zinc/41/27/77/351412777.db2.gz CNCNNYFNOXHYAC-QMMMGPOBSA-N 1 0 168.265 0.982 50 0 in-vitro ACAARO CC[C@@H](C)NC(=O)CC[NH3+] 22173370 351413212 /nfs/dbraw/zinc/41/32/12/351413212.db2.gz UOZOLZSKMCSZIW-ZCFIWIBFSA-N 1 0 144.218 0.250 50 0 in-vitro ACAARO CCOc1ccc(C[NH3+])cn1 22170963 351413335 /nfs/dbraw/zinc/41/33/35/351413335.db2.gz AMCRMLLUWGBHQF-UHFFFAOYSA-N 1 0 152.197 0.939 50 0 ACAARO C[C@@H]1NCC[N@@H+]2CCC[C@H]12 22594473 351413568 /nfs/dbraw/zinc/41/35/68/351413568.db2.gz JTFHNFCIQLHQAY-JGVFFNPUSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO CCOc1cc(C[NH3+])ccn1 22170631 351413780 /nfs/dbraw/zinc/41/37/80/351413780.db2.gz HTHXFXLHFSGNOE-UHFFFAOYSA-N 1 0 152.197 0.939 50 0 in-vitro ACAARO C[C@@H]1CCCN(C(=O)CC[NH3+])C1 22220770 351413962 /nfs/dbraw/zinc/41/39/62/351413962.db2.gz TXTHAPFQRXUSHF-MRVPVSSYSA-N 1 0 170.256 0.594 50 0 ACAARO CC(C)C[C@H](C[NH3+])N(C)C 22921552 351414325 /nfs/dbraw/zinc/41/43/25/351414325.db2.gz UQFMHTQPKOPGTA-MRVPVSSYSA-N 1 0 144.262 0.921 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@H](C)N1C 22910951 351414343 /nfs/dbraw/zinc/41/43/43/351414343.db2.gz QHVYJSBQXIIROJ-RNFRBKRXSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO C[C@@H]1CN(C(C)(C)C[NH3+])C[C@@H](C)O1 22921433 351414364 /nfs/dbraw/zinc/41/43/64/351414364.db2.gz OTOBTLZVXNJQAW-RKDXNWHRSA-N 1 0 186.299 0.833 50 0 in-vitro ACAARO CC(C)C[C@@H](C[NH3+])N1CCOCC1 22921512 351414375 /nfs/dbraw/zinc/41/43/75/351414375.db2.gz GTEPLTLZXVWEKS-JTQLQIEISA-N 1 0 186.299 0.692 50 0 in-vitro ACAARO CC(C)C[NH2+]CCN(C)C 22931315 351414403 /nfs/dbraw/zinc/41/44/03/351414403.db2.gz GOZSCJXMGZBZIF-UHFFFAOYSA-N 1 0 144.262 0.794 50 0 in-vitro ACAARO CC(C)C[N@@H+]1CCNC[C@@H]1CCO 22917416 351414541 /nfs/dbraw/zinc/41/45/41/351414541.db2.gz NNAAOOJKIVHSHV-JTQLQIEISA-N 1 0 186.299 0.299 50 0 in-vitro ACAARO CC[C@@H](C)[NH+]1CCN(CCO)CC1 22786939 351414554 /nfs/dbraw/zinc/41/45/54/351414554.db2.gz QCHFTLQCZUMQKJ-SNVBAGLBSA-N 1 0 186.299 0.395 50 0 in-vitro ACAARO CC(C)C[N@@H+]1CCNC[C@H]1CCO 23093894 351414685 /nfs/dbraw/zinc/41/46/85/351414685.db2.gz NNAAOOJKIVHSHV-SNVBAGLBSA-N 1 0 186.299 0.299 50 0 in-vitro ACAARO OCC[C@@H]1CNCC[N@@H+]1CC1CC1 23093893 351414716 /nfs/dbraw/zinc/41/47/16/351414716.db2.gz NXHYTVUPOMUDNV-SNVBAGLBSA-N 1 0 184.283 0.053 50 0 in-vitro ACAARO C[C@@H]1CN(C2CC2)CC[NH2+]1 23319655 351414723 /nfs/dbraw/zinc/41/47/23/351414723.db2.gz IQEDRJJKXCQPMH-SSDOTTSWSA-N 1 0 140.230 0.443 50 0 ACAARO CC(C)C[N@@H+]1CCCNCC1 23070499 351414733 /nfs/dbraw/zinc/41/47/33/351414733.db2.gz JYVUQGFHFSVKFX-UHFFFAOYSA-N 1 0 156.273 0.938 50 0 ACAARO CN(C)CC[NH2+]C[C@@H]1CCCO1 22930441 351414803 /nfs/dbraw/zinc/41/48/03/351414803.db2.gz DZWHKPBYGVOUGS-VIFPVBQESA-N 1 0 172.272 0.317 50 0 ACAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1 23162781 351414871 /nfs/dbraw/zinc/41/48/71/351414871.db2.gz ZUILOGVUGKBLHW-HTQZYQBOSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO CC(C)C[C@@H](C[NH3+])N(C)C 22921547 351414916 /nfs/dbraw/zinc/41/49/16/351414916.db2.gz UQFMHTQPKOPGTA-QMMMGPOBSA-N 1 0 144.262 0.921 50 0 in-vitro ACAARO OCC[C@H]1CNCC[N@@H+]1CC1CC1 22917412 351414922 /nfs/dbraw/zinc/41/49/22/351414922.db2.gz NXHYTVUPOMUDNV-JTQLQIEISA-N 1 0 184.283 0.053 50 0 in-vitro ACAARO OC1CC[NH+]([C@@H]2CCSC2)CC1 23550024 351414967 /nfs/dbraw/zinc/41/49/67/351414967.db2.gz AQTLLNHGCPDPCW-MRVPVSSYSA-N 1 0 187.308 0.949 50 0 ACAARO CC(C)C[C@H](C[NH3+])N1CCOCC1 22921516 351414968 /nfs/dbraw/zinc/41/49/68/351414968.db2.gz GTEPLTLZXVWEKS-SNVBAGLBSA-N 1 0 186.299 0.692 50 0 in-vitro ACAARO CC(C)C[N@@H+]1CC[C@@H](N)C1 22942090 351414991 /nfs/dbraw/zinc/41/49/91/351414991.db2.gz VYADNUJXDLIYRM-MRVPVSSYSA-N 1 0 142.246 0.675 50 0 ACAARO CC(C)C[N@@H+]1CC[C@H](N)C1 22942094 351415041 /nfs/dbraw/zinc/41/50/41/351415041.db2.gz VYADNUJXDLIYRM-QMMMGPOBSA-N 1 0 142.246 0.675 50 0 ACAARO c1cc2c(cn1)CC[NH2+]C2 24190115 351415498 /nfs/dbraw/zinc/41/54/98/351415498.db2.gz KPZPSEIHRIDPKH-UHFFFAOYSA-N 1 0 134.182 0.727 50 0 in-vitro ACAARO C[C@@]1(C2CC2)C[NH2+]CCO1 23789592 351415683 /nfs/dbraw/zinc/41/56/83/351415683.db2.gz ADDYLHAEIGUETQ-QMMMGPOBSA-N 1 0 141.214 0.775 50 0 ACAARO O[C@@]1(C2CC2)CCC[NH2+]C1 23789549 351415701 /nfs/dbraw/zinc/41/57/01/351415701.db2.gz ZZJORLBUBHWXOH-QMMMGPOBSA-N 1 0 141.214 0.511 50 0 ACAARO O[C@]1(C2CC2)CCC[NH2+]C1 23789551 351415710 /nfs/dbraw/zinc/41/57/10/351415710.db2.gz ZZJORLBUBHWXOH-MRVPVSSYSA-N 1 0 141.214 0.511 50 0 ACAARO c1cnc(C2C[NH2+]C2)nc1 23894251 351416043 /nfs/dbraw/zinc/41/60/43/351416043.db2.gz DEXFWXDNNACYDB-UHFFFAOYSA-N 1 0 135.170 0.163 50 0 in-vitro ACAARO c1ncc2c(n1)C[NH2+]CC2 24190131 351416082 /nfs/dbraw/zinc/41/60/82/351416082.db2.gz WGJUBVJZKNTGRC-UHFFFAOYSA-N 1 0 135.170 0.122 50 0 in-vitro ACAARO c1cc2c(c[nH+]1)OCCN2 24190271 351416199 /nfs/dbraw/zinc/41/61/99/351416199.db2.gz AMSFZNPHLRKOIB-UHFFFAOYSA-N 1 0 136.154 0.886 50 0 in-vitro ACAARO C[C@@H]1C[C@@H]([NH3+])CN1C1CC1 23844644 351416240 /nfs/dbraw/zinc/41/62/40/351416240.db2.gz BXEZDTWKLTUSIV-RNFRBKRXSA-N 1 0 140.230 0.570 50 0 in-vitro ACAARO C[C@@H]1C[C@H]([NH3+])CN1C1CC1 23844651 351416263 /nfs/dbraw/zinc/41/62/63/351416263.db2.gz BXEZDTWKLTUSIV-RQJHMYQMSA-N 1 0 140.230 0.570 50 0 in-vitro ACAARO c1cnc2c(c1)CC[NH2+]CC2 23670953 351416344 /nfs/dbraw/zinc/41/63/44/351416344.db2.gz QIBPEANLJGMFBP-UHFFFAOYSA-N 1 0 148.209 0.770 50 0 ACAARO c1ncn2c1C[NH2+]CCC2 24532930 351416893 /nfs/dbraw/zinc/41/68/93/351416893.db2.gz ROBUFWGBHVMREY-UHFFFAOYSA-N 1 0 137.186 0.376 50 0 ACAARO O=c1[nH]ccc2c1CC[NH2+]C2 24624491 351416914 /nfs/dbraw/zinc/41/69/14/351416914.db2.gz JRVUVVBQMXFJTH-UHFFFAOYSA-N 1 0 150.181 0.021 50 0 in-vitro ACAARO O=c1[nH]ccc2c1C[NH2+]CC2 24624527 351416997 /nfs/dbraw/zinc/41/69/97/351416997.db2.gz VMEJNHWPMWSWRE-UHFFFAOYSA-N 1 0 150.181 0.021 50 0 in-vitro ACAARO Nc1ccnc2c1C[NH2+]CC2 24625064 351417184 /nfs/dbraw/zinc/41/71/84/351417184.db2.gz WQOCIAIXVFNOKT-UHFFFAOYSA-N 1 0 149.197 0.310 50 0 ACAARO c1ncn2c1CC[NH2+]CC2 24532926 351417467 /nfs/dbraw/zinc/41/74/67/351417467.db2.gz HZQOQEVJEPNUOG-UHFFFAOYSA-N 1 0 137.186 0.029 50 0 ACAARO c1cn2c(n1)CC[NH2+]CC2 24532965 351417515 /nfs/dbraw/zinc/41/75/15/351417515.db2.gz SURHWLZWEACCGO-UHFFFAOYSA-N 1 0 137.186 0.029 50 0 ACAARO c1ccc(CNC2=[NH+]CCN2)cc1 25502988 351418135 /nfs/dbraw/zinc/41/81/35/351418135.db2.gz SDROEWZZAHSJDT-UHFFFAOYSA-N 1 0 175.235 0.735 50 0 ACAARO C[C@@H]1C[NH+](CCO)C[C@@H](C)O1 25623942 351418430 /nfs/dbraw/zinc/41/84/30/351418430.db2.gz VAFPVCCEXLHAGE-HTQZYQBOSA-N 1 0 159.229 0.088 50 0 in-vitro ACAARO CC(C)CS(=O)(=O)CC[NH3+] 26509257 351419389 /nfs/dbraw/zinc/41/93/89/351419389.db2.gz FROXWMDFGKVYPR-UHFFFAOYSA-N 1 0 165.258 0.016 50 0 in-vitro ACAARO c1cnc(C2CC[NH2+]CC2)nc1 26461365 351419523 /nfs/dbraw/zinc/41/95/23/351419523.db2.gz OLYYSYUUMYTBLJ-UHFFFAOYSA-N 1 0 163.224 0.944 50 0 in-vitro ACAARO OCC[NH2+]Cc1cccc(F)c1 26515746 351419891 /nfs/dbraw/zinc/41/98/91/351419891.db2.gz NNDQECFRHRMOST-UHFFFAOYSA-N 1 0 169.199 0.908 50 0 in-vitro ACAARO CC(C)C[C@@H](O)C[NH3+] 28223198 351420318 /nfs/dbraw/zinc/42/03/18/351420318.db2.gz IOZUWBDNSBSOBS-ZCFIWIBFSA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO OC[C@@H]1CCCC[NH2+]C1 26896545 351420362 /nfs/dbraw/zinc/42/03/62/351420362.db2.gz UKEIQQPQNDQZRC-SSDOTTSWSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO c1nc(C[C@H]2CCC[NH2+]C2)c[nH]1 27622197 351420442 /nfs/dbraw/zinc/42/04/42/351420442.db2.gz KPAJJCMZSUJZLQ-MRVPVSSYSA-N 1 0 165.240 0.952 50 0 ACAARO OC[C@@H]1C[NH2+]Cc2ccccc21 27517992 351420517 /nfs/dbraw/zinc/42/05/17/351420517.db2.gz YQDVXSZMLVXACO-VIFPVBQESA-N 1 0 163.220 0.866 50 0 ACAARO C[C@@H]1CCc2n[nH]c(C[NH3+])c21 28378441 351420936 /nfs/dbraw/zinc/42/09/36/351420936.db2.gz TUTVKVDUCUQWSK-RXMQYKEDSA-N 1 0 151.213 0.918 50 0 ACAARO OC[C@H]1C[NH2+]Cc2ccccc21 27517993 351420956 /nfs/dbraw/zinc/42/09/56/351420956.db2.gz YQDVXSZMLVXACO-SECBINFHSA-N 1 0 163.220 0.866 50 0 ACAARO CC(C)C[C@H](O)C[NH3+] 28223203 351420997 /nfs/dbraw/zinc/42/09/97/351420997.db2.gz IOZUWBDNSBSOBS-LURJTMIESA-N 1 0 117.192 0.352 50 0 in-vitro ACAARO CC(C)([NH3+])CCCO 26899082 351421045 /nfs/dbraw/zinc/42/10/45/351421045.db2.gz PUCFHKBOPVGLPI-UHFFFAOYSA-N 1 0 117.192 0.496 50 0 ACAARO OC[C@H]1CCCC[NH2+]C1 26896547 351421207 /nfs/dbraw/zinc/42/12/07/351421207.db2.gz UKEIQQPQNDQZRC-ZETCQYMHSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO Oc1cnc2c(c1)C[NH2+]CC2 30678257 351422349 /nfs/dbraw/zinc/42/23/49/351422349.db2.gz ZCZXOFXBMBTCKF-UHFFFAOYSA-N 1 0 150.181 0.433 50 0 in-vitro ACAARO CC(C)(O)C[NH2+]C[C@H]1CCCO1 32006725 351424062 /nfs/dbraw/zinc/42/40/62/351424062.db2.gz PMEPZFYUHLELCK-MRVPVSSYSA-N 1 0 173.256 0.526 50 0 ACAARO CC[C@@H](C)[N@@H+]1CC[C@@H](N)C1 31996779 351424207 /nfs/dbraw/zinc/42/42/07/351424207.db2.gz UYZDDPIZRFTWMM-HTQZYQBOSA-N 1 0 142.246 0.818 50 0 ACAARO CCS(=O)(=O)CCCC[NH3+] 32006357 351424394 /nfs/dbraw/zinc/42/43/94/351424394.db2.gz IGEKPDWOSRBZNA-UHFFFAOYSA-N 1 0 165.258 0.160 50 0 ACAARO CC(C)(O)C[NH2+]C[C@@H]1CCCO1 32006723 351424492 /nfs/dbraw/zinc/42/44/92/351424492.db2.gz PMEPZFYUHLELCK-QMMMGPOBSA-N 1 0 173.256 0.526 50 0 ACAARO C[C@@H]1C[NH2+]CC(C)(C)O1 32005360 351424793 /nfs/dbraw/zinc/42/47/93/351424793.db2.gz OQUWOWHKASMPNF-ZCFIWIBFSA-N 1 0 129.203 0.773 50 0 in-vitro ACAARO c1cnn(C2CC[NH2+]CC2)c1 32628482 351428300 /nfs/dbraw/zinc/42/83/00/351428300.db2.gz WGNPNAOPVBYTKD-UHFFFAOYSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO c1c[nH]c([C@H]2CCC[NH2+]2)n1 32914830 351428662 /nfs/dbraw/zinc/42/86/62/351428662.db2.gz JUJYNCPRVMVRCV-ZCFIWIBFSA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(N)=O 32777662 351428751 /nfs/dbraw/zinc/42/87/51/351428751.db2.gz XSFNDOMZJAFXNW-RKDXNWHRSA-N 1 0 184.283 0.982 50 0 ACAARO C[C@@H]1CCC[N@H+](CCN)C1 32445537 351428807 /nfs/dbraw/zinc/42/88/07/351428807.db2.gz XGUMSCJZZRIGOO-MRVPVSSYSA-N 1 0 142.246 0.677 50 0 in-vitro ACAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(N)=O 32777658 351429098 /nfs/dbraw/zinc/42/90/98/351429098.db2.gz XSFNDOMZJAFXNW-BDAKNGLRSA-N 1 0 184.283 0.982 50 0 ACAARO CCS(=O)(=O)/C=C/SC(N)=[NH2+] 33385763 351430063 /nfs/dbraw/zinc/43/00/63/351430063.db2.gz PFLBYQIKOFSMLA-ONEGZZNKSA-N 1 0 194.281 0.519 50 0 ACAARO CCO[C@H]1CN(CC)C[C@@H]1[NH3+] 33414650 351430182 /nfs/dbraw/zinc/43/01/82/351430182.db2.gz NXWPZLVVLITYTP-YUMQZZPRSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CC(C)C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1 32914950 351430369 /nfs/dbraw/zinc/43/03/69/351430369.db2.gz CASLEHXZTHAYRN-OUAUKWLOSA-N 1 0 198.310 0.440 50 0 ACAARO c1cn(C2CC[NH2+]CC2)nn1 32915044 351430434 /nfs/dbraw/zinc/43/04/34/351430434.db2.gz SAYXVILDUZLWGX-UHFFFAOYSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO O[C@@H]1C[N@H+]2CCC[C@H]1C2 33376582 351430510 /nfs/dbraw/zinc/43/05/10/351430510.db2.gz ROZOWQBTMUUFPZ-NKWVEPMBSA-N 1 0 127.187 0.073 50 0 ACAARO C[C@@H]1CCC[C@@H](CO)[NH2+]1 33798843 351432183 /nfs/dbraw/zinc/43/21/83/351432183.db2.gz ZIYHYFOCJMWAQY-RQJHMYQMSA-N 1 0 129.203 0.509 50 0 ACAARO CC(C)C[C@H]([NH3+])CN 33882230 351432273 /nfs/dbraw/zinc/43/22/73/351432273.db2.gz LGNSOKKCXYBTOL-LURJTMIESA-N 1 0 116.208 0.319 50 0 in-vitro ACAARO CC(C)C[C@@H]([NH3+])CN 33882231 351432499 /nfs/dbraw/zinc/43/24/99/351432499.db2.gz LGNSOKKCXYBTOL-ZCFIWIBFSA-N 1 0 116.208 0.319 50 0 in-vitro ACAARO CC(C)C[C@H]1CNCC[NH2+]1 34087675 351434572 /nfs/dbraw/zinc/43/45/72/351434572.db2.gz BYYCSTYYULCJLQ-QMMMGPOBSA-N 1 0 142.246 0.594 50 0 ACAARO CC(C)C[C@H]1[NH2+]CCCNC1=O 34079013 351434753 /nfs/dbraw/zinc/43/47/53/351434753.db2.gz NISDQXINCGKUDS-MRVPVSSYSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])C(F)(F)F 34108629 351434853 /nfs/dbraw/zinc/43/48/53/351434853.db2.gz TYJCFMFELXBCOZ-GSVOUGTGSA-N 1 0 143.108 0.258 50 0 in-vitro ACAARO CC(C)C[C@@H]1CNCC[NH2+]1 34087674 351434976 /nfs/dbraw/zinc/43/49/76/351434976.db2.gz BYYCSTYYULCJLQ-MRVPVSSYSA-N 1 0 142.246 0.594 50 0 ACAARO CC(C)C[C@@H]1[NH2+]CCCNC1=O 34079014 351435146 /nfs/dbraw/zinc/43/51/46/351435146.db2.gz NISDQXINCGKUDS-QMMMGPOBSA-N 1 0 170.256 0.511 50 0 in-vitro ACAARO O[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 34161435 351435547 /nfs/dbraw/zinc/43/55/47/351435547.db2.gz VRWZNEVHNNIRKP-NXEZZACHSA-N 1 0 185.267 0.622 50 0 ACAARO C[C@@H]1C[NH2+]C[C@@H]1C 34161216 351435889 /nfs/dbraw/zinc/43/58/89/351435889.db2.gz RDEHRKLSYJBKDV-OLQVQODUSA-N 1 0 99.177 0.862 50 0 in-vitro ACAARO CC(C)(O)[C@H]1CC[NH2+]C1 34183862 351436649 /nfs/dbraw/zinc/43/66/49/351436649.db2.gz IYRJODMZHWPACV-LURJTMIESA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO CC(C)(O)[C@@H]1CC[NH2+]C1 34183860 351437139 /nfs/dbraw/zinc/43/71/39/351437139.db2.gz IYRJODMZHWPACV-ZCFIWIBFSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO OCCCCCN1CC[NH2+]CC1 34273714 351437673 /nfs/dbraw/zinc/43/76/73/351437673.db2.gz JQOBQNAVHUEQPB-UHFFFAOYSA-N 1 0 172.272 0.054 50 0 ACAARO C1=C(c2ncccn2)CC[NH2+]C1 34577029 351443646 /nfs/dbraw/zinc/44/36/46/351443646.db2.gz JPAUOLFYUGJWGM-UHFFFAOYSA-N 1 0 161.208 0.853 50 0 ACAARO OCc1ccn2ccnc2c1 34617701 351444451 /nfs/dbraw/zinc/44/44/51/351444451.db2.gz JYVLKIIQYXAJSZ-UHFFFAOYSA-N 1 0 148.165 0.827 50 0 in-vitro ACAARO OC[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 34685120 351444771 /nfs/dbraw/zinc/44/47/71/351444771.db2.gz 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C[C@@H]1N[C@H](C)[C@H](C)[NH2+][C@H]1C 35052420 351448451 /nfs/dbraw/zinc/44/84/51/351448451.db2.gz ICGDKKACLISIAM-DKXJUACHSA-N 1 0 142.246 0.733 50 0 ACAARO C[C@@](O)(C[NH3+])C1CC1 35278887 351448970 /nfs/dbraw/zinc/44/89/70/351448970.db2.gz PSDJRLLXPKWQLH-ZCFIWIBFSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO C[C@@H]1CCCC[C@@]1(O)C[NH3+] 35278955 351449473 /nfs/dbraw/zinc/44/94/73/351449473.db2.gz RZNRQOBLTCHJRS-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@@H]1CCCC[C@]1(O)C[NH3+] 35278950 351449663 /nfs/dbraw/zinc/44/96/63/351449663.db2.gz RZNRQOBLTCHJRS-SFYZADRCSA-N 1 0 143.230 0.886 50 0 ACAARO c1ncc2c(n1)C[NH2+]C2 35269738 351449804 /nfs/dbraw/zinc/44/98/04/351449804.db2.gz NBXIOQTYZWAAEB-UHFFFAOYSA-N 1 0 121.143 0.080 50 0 in-vitro ACAARO CC(C)C[NH+]1CCN(CCO)CC1 35577861 351450283 /nfs/dbraw/zinc/45/02/83/351450283.db2.gz RLNYZCCAKAPCFX-UHFFFAOYSA-N 1 0 186.299 0.252 50 0 in-vitro ACAARO OCC12CCC(CC1)C[NH2+]2 35330213 351450426 /nfs/dbraw/zinc/45/04/26/351450426.db2.gz HVYZMMLSXWDJLJ-UHFFFAOYSA-N 1 0 141.214 0.511 50 0 ACAARO C[C@@H]1CN(CC[NH3+])[C@H](C)CO1 35782998 351454426 /nfs/dbraw/zinc/45/44/26/351454426.db2.gz QHSYDZMEMUAPCN-HTQZYQBOSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO CC(C)C[C@H]([NH3+])C(=O)Nc1cn[nH]c1 35764247 351454440 /nfs/dbraw/zinc/45/44/40/351454440.db2.gz ALGKOHNGIBYOCC-QMMMGPOBSA-N 1 0 196.254 0.722 50 0 ACAARO C[C@@H]1COCCN1C1CC[NH2+]CC1 35776447 351454648 /nfs/dbraw/zinc/45/46/48/351454648.db2.gz OBFRYULEFZNBTJ-SECBINFHSA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO C[C@@H]1COCC[N@@H+]1CCCO 35778085 351454716 /nfs/dbraw/zinc/45/47/16/351454716.db2.gz RHJNQHGVPMDJCS-MRVPVSSYSA-N 1 0 159.229 0.090 50 0 in-vitro ACAARO c1csc(N2CC[C@H]3C[NH2+]C[C@H]32)n1 36268490 351455496 /nfs/dbraw/zinc/45/54/96/351455496.db2.gz YSPIZOUVFAZFIE-JGVFFNPUSA-N 1 0 195.291 0.941 50 0 ACAARO CC(C)C(=O)N[C@H]1CC[NH2+]C1 36286642 351455716 /nfs/dbraw/zinc/45/57/16/351455716.db2.gz WFQMALVBKGTPHT-ZETCQYMHSA-N 1 0 156.229 0.121 50 0 ACAARO C[C@@H]1C[NH2+][C@H]2COCC[C@@H]2O1 36306352 351455753 /nfs/dbraw/zinc/45/57/53/351455753.db2.gz PASSMWGQKXTUJS-CSMHCCOUSA-N 1 0 157.213 0.152 50 0 in-vitro ACAARO C[C@@H]1C[NH2+][C@@H]2COCC[C@@H]2O1 36306348 351455851 /nfs/dbraw/zinc/45/58/51/351455851.db2.gz PASSMWGQKXTUJS-PRJMDXOYSA-N 1 0 157.213 0.152 50 0 in-vitro ACAARO CCO[C@@H]1COCC[C@H]1[NH3+] 36305625 351455958 /nfs/dbraw/zinc/45/59/58/351455958.db2.gz BRHMISIZVJYWHH-RNFRBKRXSA-N 1 0 145.202 0.139 50 0 ACAARO CC(C)C(=O)N[C@@H]1CC[NH2+]C1 36286641 351455966 /nfs/dbraw/zinc/45/59/66/351455966.db2.gz WFQMALVBKGTPHT-SSDOTTSWSA-N 1 0 156.229 0.121 50 0 ACAARO C[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 36426219 351456654 /nfs/dbraw/zinc/45/66/54/351456654.db2.gz PNFJLSHWBWNVQQ-HTQZYQBOSA-N 1 0 170.256 0.592 50 0 ACAARO C[C@@H]1C[C@@H]1[NH3+] 36379810 351456687 /nfs/dbraw/zinc/45/66/87/351456687.db2.gz PYTANBUURZFYHD-DMTCNVIQSA-N 1 0 71.123 0.354 50 0 in-vitro ACAARO C[C@@H]1C[C@H]1[NH3+] 36379812 351456815 /nfs/dbraw/zinc/45/68/15/351456815.db2.gz PYTANBUURZFYHD-QWWZWVQMSA-N 1 0 71.123 0.354 50 0 in-vitro ACAARO CC(C)([NH3+])c1ncon1 36761996 351458733 /nfs/dbraw/zinc/45/87/33/351458733.db2.gz ISIPXOYOBZPPHQ-UHFFFAOYSA-N 1 0 127.147 0.263 50 0 ACAARO CC[C@@H](C)[N@H+](C)CCN 37109522 351463564 /nfs/dbraw/zinc/46/35/64/351463564.db2.gz BKUIZZSXNHURBW-SSDOTTSWSA-N 1 0 130.235 0.675 50 0 in-vitro ACAARO C[C@@]([NH3+])(C(N)=O)c1cccc(Cl)c1 37460089 351467913 /nfs/dbraw/zinc/46/79/13/351467913.db2.gz RIOJSUAJIUTKBN-VIFPVBQESA-N 1 0 198.653 0.999 50 0 in-vitro ACAARO O[C@@H]1CCC[C@H]1[NH+]1CCCC1 37489629 351470193 /nfs/dbraw/zinc/47/01/93/351470193.db2.gz YUKHVOQROHUFMM-RKDXNWHRSA-N 1 0 155.241 0.996 50 0 in-vitro ACAARO CC(C)(O)C[NH2+]C1CCOCC1 37692346 351472025 /nfs/dbraw/zinc/47/20/25/351472025.db2.gz JRCNNLWYWYAKEO-UHFFFAOYSA-N 1 0 173.256 0.526 50 0 in-vitro ACAARO CC[C@@H](C)[C@](C)(O)C[NH3+] 37745371 351472678 /nfs/dbraw/zinc/47/26/78/351472678.db2.gz NPBLCQCTOVOHME-RNFRBKRXSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC[C@@H](C)[C@@](C)(O)C[NH3+] 37745373 351472799 /nfs/dbraw/zinc/47/27/99/351472799.db2.gz NPBLCQCTOVOHME-RQJHMYQMSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)C[C@@](C)([NH3+])C(N)=O 37870568 351474818 /nfs/dbraw/zinc/47/48/18/351474818.db2.gz FTJJDCJLMLWWPS-SSDOTTSWSA-N 1 0 144.218 0.235 50 0 in-vitro ACAARO CC(C)C[C@](C)([NH3+])C(N)=O 37870567 351474887 /nfs/dbraw/zinc/47/48/87/351474887.db2.gz FTJJDCJLMLWWPS-ZETCQYMHSA-N 1 0 144.218 0.235 50 0 in-vitro ACAARO C[C@@H]1CCC[N@@H+]1CCN 37910069 351475332 /nfs/dbraw/zinc/47/53/32/351475332.db2.gz CWCJURPRDOORGY-SSDOTTSWSA-N 1 0 128.219 0.429 50 0 in-vitro ACAARO C[C@@H]1CCC[N@@H+]1CCO 38000087 351478266 /nfs/dbraw/zinc/47/82/66/351478266.db2.gz CTINRKGSNIHQMR-SSDOTTSWSA-N 1 0 129.203 0.463 50 0 ACAARO c1ccc(CNC2CC[NH2+]CC2)nc1 38040592 351478430 /nfs/dbraw/zinc/47/84/30/351478430.db2.gz LKNNIVDYQDCXRC-UHFFFAOYSA-N 1 0 191.278 0.923 50 0 ACAARO C[C@@]([NH3+])(CO)C1CC1 38124543 351479030 /nfs/dbraw/zinc/47/90/30/351479030.db2.gz WDHUVSBQEHYCBZ-ZCFIWIBFSA-N 1 0 115.176 0.106 50 0 in-vitro ACAARO C[C@@H]1CCCC[C@@]1([NH3+])CO 38124443 351479197 /nfs/dbraw/zinc/47/91/97/351479197.db2.gz URNONLWPYLPJGZ-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 ACAARO CC(C)C[C@](C)([NH3+])CO 38124528 351479209 /nfs/dbraw/zinc/47/92/09/351479209.db2.gz YEMAIZYKPDFKNU-ZETCQYMHSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO CC(C)C[C@@](C)([NH3+])CO 38124529 351479450 /nfs/dbraw/zinc/47/94/50/351479450.db2.gz YEMAIZYKPDFKNU-SSDOTTSWSA-N 1 0 131.219 0.742 50 0 in-vitro ACAARO C[C@@H]1CCC[C@@]([NH3+])(CO)C1 38124454 351479484 /nfs/dbraw/zinc/47/94/84/351479484.db2.gz YTPOIYYEEUZISJ-SFYZADRCSA-N 1 0 143.230 0.886 50 0 ACAARO C[C@@H]1CCC[C@]([NH3+])(CO)C1 38124452 351479530 /nfs/dbraw/zinc/47/95/30/351479530.db2.gz YTPOIYYEEUZISJ-HTQZYQBOSA-N 1 0 143.230 0.886 50 0 ACAARO Oc1ccccc1C1(O)CC[NH2+]CC1 38251668 351480421 /nfs/dbraw/zinc/48/04/21/351480421.db2.gz BFGQQXHUIXTRDT-UHFFFAOYSA-N 1 0 193.246 0.963 50 0 in-vitro ACAARO OC1CC2(CC[NH2+]CC2)C1 38324775 351480984 /nfs/dbraw/zinc/48/09/84/351480984.db2.gz PVJSBOUQBOTGEY-UHFFFAOYSA-N 1 0 141.214 0.511 50 0 in-vitro ACAARO C[C@@H]1C[C@@H](C)[NH2+]1 38362809 351481048 /nfs/dbraw/zinc/48/10/48/351481048.db2.gz YPIDADKMTAZBST-RFZPGFLSSA-N 1 0 85.150 0.757 50 0 in-vitro ACAARO C[C@@H]1C[C@H](ON)CC[NH2+]1 38462366 351481108 /nfs/dbraw/zinc/48/11/08/351481108.db2.gz RWAINVYYZGGFCC-PHDIDXHHSA-N 1 0 130.191 0.017 50 0 ACAARO c1nc(C2CC2)nc2c1C[NH2+]CC2 38579742 351482150 /nfs/dbraw/zinc/48/21/50/351482150.db2.gz ZDGDGQPIOQEJCQ-UHFFFAOYSA-N 1 0 175.235 1.000 50 0 in-vitro ACAARO Oc1ccc([C@@H]2C[NH2+]CCN2)cc1 38545435 351482185 /nfs/dbraw/zinc/48/21/85/351482185.db2.gz SASIFHOHGBPKMK-JTQLQIEISA-N 1 0 178.235 0.626 50 0 in-vitro ACAARO CC(C)C[NH2+]CCN 38609703 351483348 /nfs/dbraw/zinc/48/33/48/351483348.db2.gz RJCXIVJEQLXULD-UHFFFAOYSA-N 1 0 116.208 0.191 50 0 ACAARO c1noc2c1C[NH2+]CC2 38948567 351484216 /nfs/dbraw/zinc/48/42/16/351484216.db2.gz YIGDNAMSWMGZNW-UHFFFAOYSA-N 1 0 124.143 0.320 50 0 in-vitro ACAARO C[C@@H]1CCN(C)CC[NH2+]1 38864331 351484376 /nfs/dbraw/zinc/48/43/76/351484376.db2.gz YXHIPTFPIOGDBW-SSDOTTSWSA-N 1 0 128.219 0.300 50 0 in-vitro ACAARO c1cc(-n2nccn2)ccn1 39050740 351484764 /nfs/dbraw/zinc/48/47/64/351484764.db2.gz FYVOPIHVUCRQRO-UHFFFAOYSA-N 1 0 146.153 0.662 50 0 ACAARO O[C@@H]1CCC[C@@H]2C[NH2+]CC[C@@H]21 39059594 351486864 /nfs/dbraw/zinc/48/68/64/351486864.db2.gz MGSIOPAIRPXABG-HRDYMLBCSA-N 1 0 155.241 0.757 50 0 ACAARO C[C@@]1(C(N)=O)CCCC[NH2+]1 39064156 351486973 /nfs/dbraw/zinc/48/69/73/351486973.db2.gz UJJZRIQSYSSYFS-ZETCQYMHSA-N 1 0 142.202 0.004 50 0 in-vitro ACAARO O[C@@H]1CCC[C@H]2C[NH2+]CC[C@H]12 39059595 351487074 /nfs/dbraw/zinc/48/70/74/351487074.db2.gz MGSIOPAIRPXABG-XHNCKOQMSA-N 1 0 155.241 0.757 50 0 ACAARO O[C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]12 39059597 351487085 /nfs/dbraw/zinc/48/70/85/351487085.db2.gz MGSIOPAIRPXABG-DJLDLDEBSA-N 1 0 155.241 0.757 50 0 ACAARO O[C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]21 39059596 351487211 /nfs/dbraw/zinc/48/72/11/351487211.db2.gz MGSIOPAIRPXABG-IWSPIJDZSA-N 1 0 155.241 0.757 50 0 ACAARO c1cn(C2C[NH2+]C2)cn1 39073661 351487788 /nfs/dbraw/zinc/48/77/88/351487788.db2.gz VEMKUJOKEUNKTH-UHFFFAOYSA-N 1 0 123.159 0.027 50 0 in-vitro ACAARO C[C@H]([NH3+])[C@@H](C)C[NH+](C)C 39077800 351488501 /nfs/dbraw/zinc/48/85/01/351488501.db2.gz RCXMEKRBMUREKV-BQBZGAKWSA-N 1 0 130.235 0.531 50 0 ACAARO O[C@@H]1CC[N@H+](CCF)C1 39078034 351488602 /nfs/dbraw/zinc/48/86/02/351488602.db2.gz QSIYYVYVUHTKQY-ZCFIWIBFSA-N 1 0 133.166 0.023 50 0 in-vitro ACAARO C[C@@H]1CC[N@H+](CCO)C1 39077723 351488761 /nfs/dbraw/zinc/48/87/61/351488761.db2.gz ZOTVJESZONIGGS-SSDOTTSWSA-N 1 0 129.203 0.321 50 0 in-vitro ACAARO O[C@H]1C[N@H+]2CCC[C@H]1C2 39077610 351489128 /nfs/dbraw/zinc/48/91/28/351489128.db2.gz ROZOWQBTMUUFPZ-BQBZGAKWSA-N 1 0 127.187 0.073 50 0 ACAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1 39078664 351489640 /nfs/dbraw/zinc/48/96/40/351489640.db2.gz ZUILOGVUGKBLHW-SFYZADRCSA-N 1 0 140.230 0.443 50 0 in-vitro ACAARO c1ncn([C@@H]2CCC[NH2+]C2)n1 39090916 351491431 /nfs/dbraw/zinc/49/14/31/351491431.db2.gz BXSGLNRNBMUCIM-SSDOTTSWSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO c1nc([C@H]2CCC[NH2+]C2)c[nH]1 39090851 351491544 /nfs/dbraw/zinc/49/15/44/351491544.db2.gz YBQFIIPZMWDZJU-ZETCQYMHSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO c1cnn(C2CC[NH2+]CC2)n1 39090932 351491588 /nfs/dbraw/zinc/49/15/88/351491588.db2.gz ASGQRNXDYZQNPS-UHFFFAOYSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO c1nc([C@@H]2CCC[NH2+]C2)c[nH]1 39090850 351491741 /nfs/dbraw/zinc/49/17/41/351491741.db2.gz YBQFIIPZMWDZJU-SSDOTTSWSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO c1ncn([C@H]2CCC[NH2+]C2)n1 39090917 351491757 /nfs/dbraw/zinc/49/17/57/351491757.db2.gz BXSGLNRNBMUCIM-ZETCQYMHSA-N 1 0 152.201 0.203 50 0 in-vitro ACAARO C[C@@H]1CN2CCCC[C@@H]2C[NH2+]1 39113462 351492357 /nfs/dbraw/zinc/49/23/57/351492357.db2.gz NFFVWTLRGWWYDK-RKDXNWHRSA-N 1 0 154.257 0.833 50 0 in-vitro ACAARO c1nc2c(s1)CC[NH2+]CC2 39134663 351495658 /nfs/dbraw/zinc/49/56/58/351495658.db2.gz UEPDSFGZZGGLJL-UHFFFAOYSA-N 1 0 154.238 0.831 50 0 ACAARO C[C@@H]1C[N@H+](C)CC[C@@H]1O 39190903 351496681 /nfs/dbraw/zinc/49/66/81/351496681.db2.gz AHALXAANVVOASS-RQJHMYQMSA-N 1 0 129.203 0.319 50 0 ACAARO CC(C)(O)C[N@@H+]1CCC[C@H]1CO 42433308 351522598 /nfs/dbraw/zinc/52/25/98/351522598.db2.gz OHLOMKOFTZOBEN-QMMMGPOBSA-N 1 0 173.256 0.214 50 0 ACAARO C[C@@H]1C(=O)C2CC[NH+]1CC2 39217045 351497623 /nfs/dbraw/zinc/49/76/23/351497623.db2.gz LGOHLIRGPFPGKT-ZCFIWIBFSA-N 1 0 139.198 0.670 50 0 ACAARO C[C@@H]1[NH2+]C[C@@H](C)O[C@@H]1C 39220055 351497949 /nfs/dbraw/zinc/49/79/49/351497949.db2.gz MJGLVABJZDPYDJ-DSYKOEDSSA-N 1 0 129.203 0.772 50 0 in-vitro ACAARO C[C@@H]1C[NH2+][C@H](C)[C@@H](C)O1 39220053 351497979 /nfs/dbraw/zinc/49/79/79/351497979.db2.gz MJGLVABJZDPYDJ-FSDSQADBSA-N 1 0 129.203 0.772 50 0 in-vitro ACAARO OC1C[C@@H]2CCC[C@H](C1)[NH2+]2 39205616 351498121 /nfs/dbraw/zinc/49/81/21/351498121.db2.gz LAZFLHAAIKYNNV-DHBOJHSNSA-N 1 0 141.214 0.652 50 0 in-vitro ACAARO C[C@@H]1O[C@H](C)C[NH2+][C@@H]1C 39220054 351498271 /nfs/dbraw/zinc/49/82/71/351498271.db2.gz MJGLVABJZDPYDJ-QYNIQEEDSA-N 1 0 129.203 0.772 50 0 in-vitro ACAARO CC(C)(O)[C@@H]1CCC[NH2+]1 39275555 351499865 /nfs/dbraw/zinc/49/98/65/351499865.db2.gz PSXWGNIMIRRWRB-LURJTMIESA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO CC(C)(O)[C@H]1CCC[NH2+]1 39275557 351500375 /nfs/dbraw/zinc/50/03/75/351500375.db2.gz PSXWGNIMIRRWRB-ZCFIWIBFSA-N 1 0 129.203 0.509 50 0 in-vitro ACAARO O[C@@H]1C[NH2+]C[C@H]1Oc1ccccc1 39418233 351502435 /nfs/dbraw/zinc/50/24/35/351502435.db2.gz KSSRVICONDWLSU-NXEZZACHSA-N 1 0 179.219 0.398 50 0 ACAARO OC[C@@H]1C[NH2+]C[C@H]1c1ccccc1 39597571 351503220 /nfs/dbraw/zinc/50/32/20/351503220.db2.gz MMDOXIYRYUVGPQ-QWRGUYRKSA-N 1 0 177.247 0.982 50 0 ACAARO O=c1ccc2c([nH]1)CC[NH2+]C2 39953813 351504043 /nfs/dbraw/zinc/50/40/43/351504043.db2.gz JCJJNHQIUYSATB-UHFFFAOYSA-N 1 0 150.181 0.021 50 0 in-vitro ACAARO C[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 40161803 351504049 /nfs/dbraw/zinc/50/40/49/351504049.db2.gz HOBYEBJOSXGTHC-SECBINFHSA-N 1 0 184.283 0.807 50 0 ACAARO CC(C)=CCN1CC[NH+](CCO)CC1 40009427 351504188 /nfs/dbraw/zinc/50/41/88/351504188.db2.gz XOCJKASDYAELPW-UHFFFAOYSA-N 1 0 198.310 0.563 50 0 ACAARO CC(C)C[N@@H+]1CCNC(=O)C1 40018136 351504282 /nfs/dbraw/zinc/50/42/82/351504282.db2.gz WBSNVSLRPWKFSD-UHFFFAOYSA-N 1 0 156.229 0.074 50 0 ACAARO O=Cc1c[nH+]cc2c1NCCO2 39961387 351504758 /nfs/dbraw/zinc/50/47/58/351504758.db2.gz AVPDOPKJJSOXSJ-UHFFFAOYSA-N 1 0 164.164 0.698 50 0 in-vitro ACAARO O=c1cc(C[NH+]2CCCC2)occ1O 40309036 351505664 /nfs/dbraw/zinc/50/56/64/351505664.db2.gz JYTFPUVNNKLBPD-UHFFFAOYSA-N 1 0 195.218 0.941 50 0 biogenic ACAARO c1onc2c1C[NH2+]CC2 40442549 351506528 /nfs/dbraw/zinc/50/65/28/351506528.db2.gz YCFOXBVIHVHHJS-UHFFFAOYSA-N 1 0 124.143 0.320 50 0 in-vitro ACAARO c1n[nH]c2c1CC[NH2+]C2 40435044 351506570 /nfs/dbraw/zinc/50/65/70/351506570.db2.gz KFOAQYYCEAGMEF-UHFFFAOYSA-N 1 0 123.159 0.055 50 0 in-vitro ACAARO O[C@@H]([C@H]1CC[NH2+]C1)C(F)(F)F 40442779 351506650 /nfs/dbraw/zinc/50/66/50/351506650.db2.gz DOLDPSVROLKMCI-WHFBIAKZSA-N 1 0 169.146 0.519 50 0 ACAARO O[C@H]([C@H]1CC[NH2+]C1)C(F)(F)F 40442781 351507106 /nfs/dbraw/zinc/50/71/06/351507106.db2.gz DOLDPSVROLKMCI-CRCLSJGQSA-N 1 0 169.146 0.519 50 0 ACAARO c1noc(C2CC[NH2+]CC2)n1 40454029 351507559 /nfs/dbraw/zinc/50/75/59/351507559.db2.gz BKYBBCQYORLQOT-UHFFFAOYSA-N 1 0 153.185 0.537 50 0 ACAARO [NH3+]C1CCN(C(=O)N2CCCC2)CC1 40457327 351507678 /nfs/dbraw/zinc/50/76/78/351507678.db2.gz KOQNTUSATKDXGQ-UHFFFAOYSA-N 1 0 197.282 0.625 50 0 in-vitro ACAARO O=S(=O)(CC1CC1)[C@H]1CC[NH2+]C1 40450039 351507721 /nfs/dbraw/zinc/50/77/21/351507721.db2.gz FIYGVLFSGLPQAQ-QMMMGPOBSA-N 1 0 189.280 0.173 50 0 ACAARO c1noc([C@H]2CCC[NH2+]C2)n1 40454051 351507761 /nfs/dbraw/zinc/50/77/61/351507761.db2.gz LFGAVXRHHARQKL-LURJTMIESA-N 1 0 153.185 0.537 50 0 in-vitro ACAARO c1noc([C@@H]2CCC[NH2+]C2)n1 40454050 351507820 /nfs/dbraw/zinc/50/78/20/351507820.db2.gz LFGAVXRHHARQKL-ZCFIWIBFSA-N 1 0 153.185 0.537 50 0 in-vitro ACAARO C[C@@]1(C[NH3+])CCCC[C@@H]1O 40537847 351507834 /nfs/dbraw/zinc/50/78/34/351507834.db2.gz QLYKVUZCAZHWAG-YUMQZZPRSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO c1noc([C@@H]2CCC[NH2+]2)n1 40454064 351507845 /nfs/dbraw/zinc/50/78/45/351507845.db2.gz ANLVMPLXUXEQBJ-YFKPBYRVSA-N 1 0 139.158 0.494 50 0 ACAARO O=S(=O)(CC1CC1)[C@@H]1CC[NH2+]C1 40450038 351507857 /nfs/dbraw/zinc/50/78/57/351507857.db2.gz FIYGVLFSGLPQAQ-MRVPVSSYSA-N 1 0 189.280 0.173 50 0 ACAARO C[C@@]1(C[NH3+])CCCC[C@H]1O 40537849 351507983 /nfs/dbraw/zinc/50/79/83/351507983.db2.gz QLYKVUZCAZHWAG-SFYZADRCSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO c1noc([C@H]2CCC[NH2+]2)n1 40454065 351508017 /nfs/dbraw/zinc/50/80/17/351508017.db2.gz ANLVMPLXUXEQBJ-RXMQYKEDSA-N 1 0 139.158 0.494 50 0 ACAARO C[C@@H]1CC(=O)C[C@@H](C)[NH2+]1 40539473 351509341 /nfs/dbraw/zinc/50/93/41/351509341.db2.gz LVYOYMNCAWSORG-PHDIDXHHSA-N 1 0 127.187 0.716 50 0 in-vitro ACAARO CC(C)CCNC(N)=[NH2+] 40827666 351511703 /nfs/dbraw/zinc/51/17/03/351511703.db2.gz UCPZFSWTHROHJP-UHFFFAOYSA-N 1 0 129.207 0.516 50 0 ACAARO C[C@@H]([C@@H](C)[NH3+])N1CCOCC1 41053712 351515715 /nfs/dbraw/zinc/51/57/15/351515715.db2.gz GUSHEMUDDUPEBZ-SFYZADRCSA-N 1 0 158.245 0.054 50 0 in-vitro ACAARO C[C@@H](c1ccccc1)[C@H]([NH3+])C(N)=O 41085119 351515767 /nfs/dbraw/zinc/51/57/67/351515767.db2.gz BUQIBZOVGKPKSN-CBAPKCEASA-N 1 0 178.235 0.603 50 0 in-vitro ACAARO C[C@@H]([C@@H](C)[NH3+])n1cncn1 41053905 351516275 /nfs/dbraw/zinc/51/62/75/351516275.db2.gz YYLBLMYFEQNWIL-RITPCOANSA-N 1 0 140.190 0.186 50 0 in-vitro ACAARO C[C@@H](c1ccccc1)[C@@H]([NH3+])C(N)=O 41085124 351516395 /nfs/dbraw/zinc/51/63/95/351516395.db2.gz BUQIBZOVGKPKSN-IONNQARKSA-N 1 0 178.235 0.603 50 0 in-vitro ACAARO CC(C)C(=O)[C@@H]1CCC[NH2+]1 41166950 351517207 /nfs/dbraw/zinc/51/72/07/351517207.db2.gz PBQZSVNJVABPPR-ZETCQYMHSA-N 1 0 141.214 0.964 50 0 ACAARO C[C@@H]1C[NH2+]CCN1C1CC1 41166919 351517370 /nfs/dbraw/zinc/51/73/70/351517370.db2.gz CMWWWZDHOHKRPR-SSDOTTSWSA-N 1 0 140.230 0.443 50 0 ACAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C 41362574 351518557 /nfs/dbraw/zinc/51/85/57/351518557.db2.gz ASZORCMRTYJNPV-SECBINFHSA-N 1 0 184.283 0.949 50 0 ACAARO CC[C@@H](C)NC(=O)C[NH+]1CCCC1 41362270 351518717 /nfs/dbraw/zinc/51/87/17/351518717.db2.gz OCJQDQBOPRUQSF-SECBINFHSA-N 1 0 184.283 0.997 50 0 ACAARO OCCC[NH2+]C1CC1 41626033 351518880 /nfs/dbraw/zinc/51/88/80/351518880.db2.gz CMNRBVDFOGJTTD-UHFFFAOYSA-N 1 0 115.176 0.121 50 0 in-vitro ACAARO C[C@@H]1C[NH+](C)C[C@@H](C)O1 41363264 351518926 /nfs/dbraw/zinc/51/89/26/351518926.db2.gz APOJIILNJVLCQE-RNFRBKRXSA-N 1 0 129.203 0.725 50 0 in-vitro ACAARO c1nnc([C@@H]2CCC[NH2+]2)[nH]1 42041024 351519344 /nfs/dbraw/zinc/51/93/44/351519344.db2.gz IDGHNUZUCVZTLK-YFKPBYRVSA-N 1 0 138.174 0.229 50 0 ACAARO c1nnc([C@@H]2CCCC[NH2+]2)[nH]1 42041029 351519706 /nfs/dbraw/zinc/51/97/06/351519706.db2.gz RONDMOYIJWDSEP-LURJTMIESA-N 1 0 152.201 0.619 50 0 in-vitro ACAARO c1nnc([C@H]2CCC[NH2+]C2)[nH]1 42040985 351520036 /nfs/dbraw/zinc/52/00/36/351520036.db2.gz IZHAMQUVVWJULL-LURJTMIESA-N 1 0 152.201 0.272 50 0 in-vitro ACAARO c1nnc([C@@H]2CCC[NH2+]C2)[nH]1 42040982 351520060 /nfs/dbraw/zinc/52/00/60/351520060.db2.gz IZHAMQUVVWJULL-ZCFIWIBFSA-N 1 0 152.201 0.272 50 0 in-vitro ACAARO c1nnc([C@H]2CCC[NH2+]2)[nH]1 42041026 351520133 /nfs/dbraw/zinc/52/01/33/351520133.db2.gz IDGHNUZUCVZTLK-RXMQYKEDSA-N 1 0 138.174 0.229 50 0 ACAARO c1nnc([C@H]2CCCC[NH2+]2)[nH]1 42041032 351520161 /nfs/dbraw/zinc/52/01/61/351520161.db2.gz RONDMOYIJWDSEP-ZCFIWIBFSA-N 1 0 152.201 0.619 50 0 in-vitro ACAARO c1nnc(C2CC[NH2+]CC2)[nH]1 42040914 351520227 /nfs/dbraw/zinc/52/02/27/351520227.db2.gz YPPVPNFMCXRUCC-UHFFFAOYSA-N 1 0 152.201 0.272 50 0 ACAARO c1cn([C@@H]2CCC[NH2+]C2)cn1 42290498 351520881 /nfs/dbraw/zinc/52/08/81/351520881.db2.gz UYOZDXASYOYYCF-MRVPVSSYSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO c1cn([C@H]2CCC[NH2+]C2)cn1 42290501 351521340 /nfs/dbraw/zinc/52/13/40/351521340.db2.gz UYOZDXASYOYYCF-QMMMGPOBSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO c1cnn([C@@H]2CCC[NH2+]C2)c1 42290493 351521477 /nfs/dbraw/zinc/52/14/77/351521477.db2.gz OVEZWSXZQCHUEP-MRVPVSSYSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO c1cnn([C@H]2CCC[NH2+]C2)c1 42290496 351521492 /nfs/dbraw/zinc/52/14/92/351521492.db2.gz OVEZWSXZQCHUEP-QMMMGPOBSA-N 1 0 151.213 0.808 50 0 in-vitro ACAARO CC(C)(O)C[N@@H+]1CCC[C@@H]1CO 42433307 351522589 /nfs/dbraw/zinc/52/25/89/351522589.db2.gz OHLOMKOFTZOBEN-MRVPVSSYSA-N 1 0 173.256 0.214 50 0 ACAARO CC(C)C(=O)O[C@H]1CCC[NH2+]C1 42769005 351524184 /nfs/dbraw/zinc/52/41/84/351524184.db2.gz MCXULDOFPGGIDU-QMMMGPOBSA-N 1 0 171.240 0.938 50 0 ACAARO CC(C)C(=O)OC[C@@H]1CC[NH2+]C1 42769061 351524350 /nfs/dbraw/zinc/52/43/50/351524350.db2.gz XMZGLUWOCRDGAP-MRVPVSSYSA-N 1 0 171.240 0.795 50 0 ACAARO CC(C)C(=O)OC1CC[NH2+]CC1 42769010 351524363 /nfs/dbraw/zinc/52/43/63/351524363.db2.gz HLAGQQBETQISSP-UHFFFAOYSA-N 1 0 171.240 0.938 50 0 ACAARO C[NH2+]CC1=CCCOC1 42689574 351524393 /nfs/dbraw/zinc/52/43/93/351524393.db2.gz OFKZVKJRCBTJDW-UHFFFAOYSA-N 1 0 127.187 0.553 50 0 in-vitro ACAARO CC(C)C(=O)OC1C[NH2+]C1 42769014 351524486 /nfs/dbraw/zinc/52/44/86/351524486.db2.gz NXKPVYKOZOIGBZ-UHFFFAOYSA-N 1 0 143.186 0.157 50 0 ACAARO C[NH+](C)[C@H]1CCC/C=C\C(=O)NC1 43214863 351526051 /nfs/dbraw/zinc/52/60/51/351526051.db2.gz OSFRXVZCANLJKB-PGBBXKAQSA-N 1 0 182.267 0.773 50 0 ACAARO CC(C)C(=O)O[C@@H]1CC[NH2+]C1 42769071 351524748 /nfs/dbraw/zinc/52/47/48/351524748.db2.gz NLDCZXUPRQKTNO-SSDOTTSWSA-N 1 0 157.213 0.548 50 0 ACAARO OC1CCN([C@@H]2CCC[NH2+]C2)CC1 42783281 351524773 /nfs/dbraw/zinc/52/47/73/351524773.db2.gz FDUZEWRIOMPOJK-SECBINFHSA-N 1 0 184.283 0.195 50 0 ACAARO CC(C)CC(=O)OC1C[NH2+]C1 42769097 351524895 /nfs/dbraw/zinc/52/48/95/351524895.db2.gz MWJVXASZPFAXNH-UHFFFAOYSA-N 1 0 157.213 0.548 50 0 ACAARO CC(C)CC(=O)O[C@@H]1CC[NH2+]C1 42769151 351524903 /nfs/dbraw/zinc/52/49/03/351524903.db2.gz IYOSFGJBPQDELE-MRVPVSSYSA-N 1 0 171.240 0.938 50 0 ACAARO CC(C)CC(=O)O[C@H]1CC[NH2+]C1 42769156 351524912 /nfs/dbraw/zinc/52/49/12/351524912.db2.gz IYOSFGJBPQDELE-QMMMGPOBSA-N 1 0 171.240 0.938 50 0 ACAARO O[C@H]1CCN(C[C@@H]2CCCC[NH2+]2)C1 42783444 351524935 /nfs/dbraw/zinc/52/49/35/351524935.db2.gz AHKKARMWNUMUMD-UWVGGRQHSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO OC1CCN(C[C@H]2CCC[NH2+]2)CC1 42783464 351524971 /nfs/dbraw/zinc/52/49/71/351524971.db2.gz OOLFLQHKVSXNFW-SECBINFHSA-N 1 0 184.283 0.195 50 0 ACAARO OC1CCN(C[C@@H]2CCC[NH2+]2)CC1 42783465 351525232 /nfs/dbraw/zinc/52/52/32/351525232.db2.gz OOLFLQHKVSXNFW-VIFPVBQESA-N 1 0 184.283 0.195 50 0 ACAARO OC1CCN(C[C@@H]2CCCC[NH2+]2)CC1 42783450 351525278 /nfs/dbraw/zinc/52/52/78/351525278.db2.gz HREJSORXIAECIH-JTQLQIEISA-N 1 0 198.310 0.585 50 0 ACAARO O=c1[nH]c(C2CC2)nc2c1C[NH2+]C2 42784272 351525312 /nfs/dbraw/zinc/52/53/12/351525312.db2.gz OIQUBDUTWLXJCX-UHFFFAOYSA-N 1 0 177.207 0.251 50 0 ACAARO OC1CCN(C[C@H]2CCCC[NH2+]2)CC1 42783451 351525433 /nfs/dbraw/zinc/52/54/33/351525433.db2.gz HREJSORXIAECIH-SNVBAGLBSA-N 1 0 198.310 0.585 50 0 ACAARO OC1CCN([C@H]2CCC[NH2+]C2)CC1 42783280 351525450 /nfs/dbraw/zinc/52/54/50/351525450.db2.gz FDUZEWRIOMPOJK-VIFPVBQESA-N 1 0 184.283 0.195 50 0 ACAARO O[C@H]1CCN(C[C@H]2CCCC[NH2+]2)C1 42783445 351525467 /nfs/dbraw/zinc/52/54/67/351525467.db2.gz AHKKARMWNUMUMD-ZJUUUORDSA-N 1 0 184.283 0.195 50 0 in-vitro ACAARO CC(C)C(=O)OC[C@H]1CC[NH2+]C1 42769066 351525482 /nfs/dbraw/zinc/52/54/82/351525482.db2.gz XMZGLUWOCRDGAP-QMMMGPOBSA-N 1 0 171.240 0.795 50 0 ACAARO CC(C)C[NH2+][C@H]1CCCNC1 43323703 351527487 /nfs/dbraw/zinc/52/74/87/351527487.db2.gz VPMHSGIKZYHJFA-VIFPVBQESA-N 1 0 156.273 0.984 50 0 ACAARO c1cc(CN[C@H]2CCC[NH2+]C2)ccn1 43324830 351527619 /nfs/dbraw/zinc/52/76/19/351527619.db2.gz WFOFRJNIHPTIMI-NSHDSACASA-N 1 0 191.278 0.923 50 0 ACAARO CC(C)C[NH2+][C@@H]1CCCNC1 43323701 351527876 /nfs/dbraw/zinc/52/78/76/351527876.db2.gz VPMHSGIKZYHJFA-SECBINFHSA-N 1 0 156.273 0.984 50 0 ACAARO c1ccc(CN[C@@H]2CCC[NH2+]C2)nc1 43324327 351527882 /nfs/dbraw/zinc/52/78/82/351527882.db2.gz UZJZKBSWTAJJHN-SNVBAGLBSA-N 1 0 191.278 0.923 50 0 ACAARO c1cc(CN[C@@H]2CCC[NH2+]C2)ccn1 43324828 351527890 /nfs/dbraw/zinc/52/78/90/351527890.db2.gz WFOFRJNIHPTIMI-LLVKDONJSA-N 1 0 191.278 0.923 50 0 ACAARO OCCCC[NH2+]C1CC1 43445259 351527934 /nfs/dbraw/zinc/52/79/34/351527934.db2.gz SGVSGIKGXAFXQZ-UHFFFAOYSA-N 1 0 129.203 0.511 50 0 in-vitro ACAARO c1ccc(CN[C@H]2CCC[NH2+]C2)nc1 43324329 351527971 /nfs/dbraw/zinc/52/79/71/351527971.db2.gz UZJZKBSWTAJJHN-JTQLQIEISA-N 1 0 191.278 0.923 50 0 ACAARO c1ncn(CC2CC[NH2+]CC2)n1 43497799 351528345 /nfs/dbraw/zinc/52/83/45/351528345.db2.gz ZLGCTFLARAWVND-UHFFFAOYSA-N 1 0 166.228 0.278 50 0 in-vitro ACAARO Cc1nccn1C[C@H]1CCC[NH2+]1 43495984 351528643 /nfs/dbraw/zinc/52/86/43/351528643.db2.gz LGXDFHZIAJFYAJ-SECBINFHSA-N 1 0 165.240 0.944 50 0 ACAARO Cc1nc(C)n(C[C@@H]2CCC[NH2+]C2)n1 43472194 351528655 /nfs/dbraw/zinc/52/86/55/351528655.db2.gz ANUYVQZAPFNGTA-SNVBAGLBSA-N 1 0 194.282 0.895 50 0 in-vitro ACAARO Cc1nccn1C[C@@H]1CCC[NH2+]1 43495982 351528696 /nfs/dbraw/zinc/52/86/96/351528696.db2.gz LGXDFHZIAJFYAJ-VIFPVBQESA-N 1 0 165.240 0.944 50 0 ACAARO c1ncn(C[C@H]2CCC[NH2+]C2)n1 43472075 351528737 /nfs/dbraw/zinc/52/87/37/351528737.db2.gz OIJPPRAITGSIRG-QMMMGPOBSA-N 1 0 166.228 0.278 50 0 in-vitro ACAARO c1ncn(C[C@@H]2CCC[NH2+]C2)n1 43472073 351528748 /nfs/dbraw/zinc/52/87/48/351528748.db2.gz OIJPPRAITGSIRG-MRVPVSSYSA-N 1 0 166.228 0.278 50 0 in-vitro ACAARO Cc1cnn(C[C@H]2CCC[NH2+]2)c1 43496135 351528777 /nfs/dbraw/zinc/52/87/77/351528777.db2.gz HXOWPAAOYNLRFH-SECBINFHSA-N 1 0 165.240 0.944 50 0 in-vitro ACAARO Cc1nc(C)n(C[C@H]2CCC[NH2+]C2)n1 43472196 351528830 /nfs/dbraw/zinc/52/88/30/351528830.db2.gz ANUYVQZAPFNGTA-JTQLQIEISA-N 1 0 194.282 0.895 50 0 in-vitro ACAARO Cc1cnn(C[C@@H]2CCC[NH2+]2)c1 43496132 351528861 /nfs/dbraw/zinc/52/88/61/351528861.db2.gz HXOWPAAOYNLRFH-VIFPVBQESA-N 1 0 165.240 0.944 50 0 in-vitro ACAARO c1ncn(C[C@@H]2CCCC[NH2+]2)n1 43494210 351528922 /nfs/dbraw/zinc/52/89/22/351528922.db2.gz RYHAXZZMCHTQKU-QMMMGPOBSA-N 1 0 166.228 0.420 50 0 in-vitro ACAARO c1cnn(C[C@@H]2CCC[NH2+]C2)c1 43472070 351528925 /nfs/dbraw/zinc/52/89/25/351528925.db2.gz QLVBYKCAAHNALM-SECBINFHSA-N 1 0 165.240 0.883 50 0 ACAARO O[C@@H]1CCCC[C@@]12[NH2+]CCS2 43827793 351534207 /nfs/dbraw/zinc/53/42/07/351534207.db2.gz DZCJQVCQYHOUPW-SFYZADRCSA-N 1 0 173.281 0.954 50 0 ACAARO O[C@H]1CCCC[C@@]12[NH2+]CCS2 43827799 351534494 /nfs/dbraw/zinc/53/44/94/351534494.db2.gz DZCJQVCQYHOUPW-YUMQZZPRSA-N 1 0 173.281 0.954 50 0 ACAARO O[C@H]1CCCC[C@]12[NH2+]CCS2 43827796 351534616 /nfs/dbraw/zinc/53/46/16/351534616.db2.gz DZCJQVCQYHOUPW-JGVFFNPUSA-N 1 0 173.281 0.954 50 0 ACAARO O[C@@H]1CCCC[C@]12[NH2+]CCS2 43827789 351534681 /nfs/dbraw/zinc/53/46/81/351534681.db2.gz DZCJQVCQYHOUPW-HTQZYQBOSA-N 1 0 173.281 0.954 50 0 ACAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC=O 44126240 351535460 /nfs/dbraw/zinc/53/54/60/351535460.db2.gz PUQQLNKMOHUADV-NXEZZACHSA-N 1 0 184.283 0.995 50 0 ACAARO c1ccn(C2C[NH2+]C2)c1 44185110 351536540 /nfs/dbraw/zinc/53/65/40/351536540.db2.gz IXBYVUWZZBDMKG-UHFFFAOYSA-N 1 0 122.171 0.632 50 0 in-vitro ACAARO CC[C@@H](C)C[C@H]([NH3+])CO 44463830 351538673 /nfs/dbraw/zinc/53/86/73/351538673.db2.gz HFTBNMIETSNLEF-RQJHMYQMSA-N 1 0 131.219 0.742 50 0 ACAARO CC[C@@H](C)C[C@@H]([NH3+])CO 44463832 351538827 /nfs/dbraw/zinc/53/88/27/351538827.db2.gz HFTBNMIETSNLEF-RNFRBKRXSA-N 1 0 131.219 0.742 50 0 ACAARO c1cnn([C@H]2CC[NH2+]C2)c1 47218684 351545018 /nfs/dbraw/zinc/54/50/18/351545018.db2.gz ZUZKWDPTWJFIPQ-ZETCQYMHSA-N 1 0 137.186 0.418 50 0 in-vitro ACAARO c1cc[n+]2c(c1)OCC2 45069054 351542521 /nfs/dbraw/zinc/54/25/21/351542521.db2.gz ZDNGHJUQGMLXHP-UHFFFAOYSA-N 1 0 122.147 0.367 50 0 ACAARO OCc1ccc2c(c1)C[NH2+]CCO2 47218777 351544250 /nfs/dbraw/zinc/54/42/50/351544250.db2.gz LHGNLBBGAOCRJB-UHFFFAOYSA-N 1 0 179.219 0.661 50 0 in-vitro ACAARO Oc1ccc2c(c1)C[NH2+]CCO2 47218773 351544961 /nfs/dbraw/zinc/54/49/61/351544961.db2.gz AHEPIFWCUQGFQX-UHFFFAOYSA-N 1 0 165.192 0.874 50 0 ACAARO O=Cc1ccc2c(c1)C[NH2+]CCO2 47218775 351545079 /nfs/dbraw/zinc/54/50/79/351545079.db2.gz NRXCEWQBLXMIHP-UHFFFAOYSA-N 1 0 177.203 0.981 50 0 ACAARO OC[C@]12CCC[C@@H]1C[NH2+]C2 48056642 351545338 /nfs/dbraw/zinc/54/53/38/351545338.db2.gz ZUGGTKAULOSNOR-HTQZYQBOSA-N 1 0 141.214 0.368 50 0 ACAARO OC[C@@]12CCC[C@H]1C[NH2+]C2 48056639 351545559 /nfs/dbraw/zinc/54/55/59/351545559.db2.gz ZUGGTKAULOSNOR-YUMQZZPRSA-N 1 0 141.214 0.368 50 0 ACAARO CC(C)=CC[N@H+](C)CCO 49633863 351548768 /nfs/dbraw/zinc/54/87/68/351548768.db2.gz MRMXXVUJOWHKMB-UHFFFAOYSA-N 1 0 143.230 0.877 50 0 in-vitro ACAARO C[N@H+](CCO)CCOc1ccccc1 49633606 351548808 /nfs/dbraw/zinc/54/88/08/351548808.db2.gz HYGYCZYEPMSPAP-UHFFFAOYSA-N 1 0 195.262 0.990 50 0 ACAARO C[C@@H]1CCn2cc(CC[NH3+])nc2C1 49805594 351549845 /nfs/dbraw/zinc/54/98/45/351549845.db2.gz OBKLDPKQEUWZBV-MRVPVSSYSA-N 1 0 179.267 0.967 50 0 ACAARO O[C@@H]1CCC[N@H+](CC2CC2)C1 50103542 351551577 /nfs/dbraw/zinc/55/15/77/351551577.db2.gz RJYPMXYTIMWTAO-SECBINFHSA-N 1 0 155.241 0.853 50 0 ACAARO O[C@H]1CCC[N@H+](CC2CC2)C1 50103541 351552026 /nfs/dbraw/zinc/55/20/26/351552026.db2.gz RJYPMXYTIMWTAO-VIFPVBQESA-N 1 0 155.241 0.853 50 0 ACAARO CC(C)C(=O)N1CC[C@@H]([NH3+])C1 50228613 351552782 /nfs/dbraw/zinc/55/27/82/351552782.db2.gz JZFPVNLLUFKXKC-SSDOTTSWSA-N 1 0 156.229 0.202 50 0 in-vitro ACAARO c1ccc(CO[C@@H]2CC[NH2+]C2)nc1 51782601 351559044 /nfs/dbraw/zinc/55/90/44/351559044.db2.gz FIXUFKVTRYTERV-SNVBAGLBSA-N 1 0 178.235 0.960 50 0 in-vitro ACAARO c1cc(CO[C@@H]2CC[NH2+]C2)ccn1 51782358 351559537 /nfs/dbraw/zinc/55/95/37/351559537.db2.gz HYLCAZBXNHYCSI-SNVBAGLBSA-N 1 0 178.235 0.960 50 0 ACAARO c1csc(O[C@@H]2CC[NH2+]C2)n1 51868476 351559868 /nfs/dbraw/zinc/55/98/68/351559868.db2.gz VMSFKACVRIPQQM-ZCFIWIBFSA-N 1 0 170.237 0.884 50 0 ACAARO c1cc(O[C@H]2CCC[NH2+]C2)ncn1 51873104 351559968 /nfs/dbraw/zinc/55/99/68/351559968.db2.gz GITODERTKMPXPY-QMMMGPOBSA-N 1 0 179.223 0.607 50 0 ACAARO c1csc(O[C@H]2CC[NH2+]C2)n1 51868478 351560065 /nfs/dbraw/zinc/56/00/65/351560065.db2.gz VMSFKACVRIPQQM-LURJTMIESA-N 1 0 170.237 0.884 50 0 ACAARO c1cc(O[C@H]2CC[NH2+]C2)ccn1 51867970 351560492 /nfs/dbraw/zinc/56/04/92/351560492.db2.gz GCOMELDNUZKQDJ-VIFPVBQESA-N 1 0 164.208 0.822 50 0 in-vitro ACAARO CCOCc1nc(CC[NH2+]C)no1 51850866 351560621 /nfs/dbraw/zinc/56/06/21/351560621.db2.gz WZDZLDSITFXDAC-UHFFFAOYSA-N 1 0 185.227 0.368 50 0 ACAARO c1cc(O[C@H]2CC[NH2+]C2)ncn1 51868677 351560637 /nfs/dbraw/zinc/56/06/37/351560637.db2.gz WOQMPHRSCMTIGG-ZETCQYMHSA-N 1 0 165.196 0.217 50 0 ACAARO c1cc(O[C@@H]2CCC[NH2+]C2)ncn1 51873101 351560729 /nfs/dbraw/zinc/56/07/29/351560729.db2.gz GITODERTKMPXPY-MRVPVSSYSA-N 1 0 179.223 0.607 50 0 ACAARO c1cc(OC2CC[NH2+]CC2)ncn1 51865717 351560744 /nfs/dbraw/zinc/56/07/44/351560744.db2.gz AQOOEYUGDLSSRH-UHFFFAOYSA-N 1 0 179.223 0.607 50 0 ACAARO c1cc(O[C@@H]2CC[NH2+]C2)ncn1 51868674 351560749 /nfs/dbraw/zinc/56/07/49/351560749.db2.gz WOQMPHRSCMTIGG-SSDOTTSWSA-N 1 0 165.196 0.217 50 0 ACAARO C[C@@H]1CN(C)[C@H](C)C[NH2+]1 51971094 351561383 /nfs/dbraw/zinc/56/13/83/351561383.db2.gz CDHYSFKPWCVXHZ-RNFRBKRXSA-N 1 0 128.219 0.298 50 0 in-vitro ACAARO O[C@H]1C[NH2+]C[C@@H]1c1ccccc1 51971706 351561463 /nfs/dbraw/zinc/56/14/63/351561463.db2.gz LKWOEDBCCDPEQB-ZJUUUORDSA-N 1 0 163.220 0.734 50 0 ACAARO c1ccc(N[C@@H]2CC[NH2+]C2)nc1 52093692 351562440 /nfs/dbraw/zinc/56/24/40/351562440.db2.gz HEMVTRSSBJCRGX-MRVPVSSYSA-N 1 0 163.224 0.855 50 0 ACAARO c1cnnc(N2CCC[NH2+]CC2)c1 52815368 351568196 /nfs/dbraw/zinc/56/81/96/351568196.db2.gz WUSMFRZBCSILTC-UHFFFAOYSA-N 1 0 178.239 0.276 50 0 in-vitro ACAARO c1cnnc(NC2CC[NH2+]CC2)c1 52831519 351569011 /nfs/dbraw/zinc/56/90/11/351569011.db2.gz CKODDUILXBOSEM-UHFFFAOYSA-N 1 0 178.239 0.641 50 0 in-vitro ACAARO CC(C)([NH3+])CCS(C)(=O)=O 53758022 351569522 /nfs/dbraw/zinc/56/95/22/351569522.db2.gz OMENBDLFXMNVBE-UHFFFAOYSA-N 1 0 165.258 0.158 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])C1CCCC1 54082047 351571338 /nfs/dbraw/zinc/57/13/38/351571338.db2.gz CZBKBYJCHJYUIZ-MRVPVSSYSA-N 1 0 143.230 0.886 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCN1Cc1nccn1C 54373917 351572647 /nfs/dbraw/zinc/57/26/47/351572647.db2.gz KFGDWJPWEMDVKB-SECBINFHSA-N 1 0 194.282 0.214 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCN1CC(C)(C)O 54374502 351572925 /nfs/dbraw/zinc/57/29/25/351572925.db2.gz MIAMZJKMKXIIKX-MRVPVSSYSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@@]1(C[NH3+])CCOC1 54637617 351575542 /nfs/dbraw/zinc/57/55/42/351575542.db2.gz BIHDPCZORCLZAJ-LURJTMIESA-N 1 0 115.176 0.372 50 0 in-vitro ACAARO CC(C)([NH3+])c1nnc(N)s1 54957007 351576099 /nfs/dbraw/zinc/57/60/99/351576099.db2.gz NQDVFRNQGHUBHO-UHFFFAOYSA-N 1 0 158.230 0.314 50 0 in-vitro ACAARO c1cnn(C[C@H]2C[NH2+]CCCO2)c1 54957023 351576208 /nfs/dbraw/zinc/57/62/08/351576208.db2.gz MENDXPMPTQHJIA-SECBINFHSA-N 1 0 181.239 0.262 50 0 in-vitro ACAARO CC(C)CN(C)C1C[NH2+]C1 54931410 351576212 /nfs/dbraw/zinc/57/62/12/351576212.db2.gz RYQYIBFMLLRMEM-UHFFFAOYSA-N 1 0 142.246 0.546 50 0 ACAARO c1cnn(C[C@@H]2C[NH2+]CCCO2)c1 54957022 351576263 /nfs/dbraw/zinc/57/62/63/351576263.db2.gz MENDXPMPTQHJIA-VIFPVBQESA-N 1 0 181.239 0.262 50 0 in-vitro ACAARO C[C@@H]1CN(C2C[NH2+]C2)C[C@@H](C)O1 54931379 351576338 /nfs/dbraw/zinc/57/63/38/351576338.db2.gz VZBSAVYBLCLTAS-HTQZYQBOSA-N 1 0 170.256 0.067 50 0 in-vitro ACAARO CC(C)COC1C[NH2+]C1 54931676 351576561 /nfs/dbraw/zinc/57/65/61/351576561.db2.gz HSLSAGACOQSNDF-UHFFFAOYSA-N 1 0 129.203 0.631 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1ccccc1F 55032583 351577182 /nfs/dbraw/zinc/57/71/82/351577182.db2.gz CIMQZVBLCOCGBW-SECBINFHSA-N 1 0 169.199 0.992 50 0 ACAARO CC(C)C1(O)CC[NH2+]CC1 55189675 351577324 /nfs/dbraw/zinc/57/73/24/351577324.db2.gz AREAPMVZFHKETO-UHFFFAOYSA-N 1 0 143.230 0.757 50 0 ACAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)OC 56963145 351577334 /nfs/dbraw/zinc/57/73/34/351577334.db2.gz YXMMTUJDQTVJEN-PHDIDXHHSA-N 1 0 145.202 0.533 50 0 in-vitro ACAARO O[C@]1(C(F)(F)F)CCC[NH2+]C1 57218886 351577348 /nfs/dbraw/zinc/57/73/48/351577348.db2.gz SCISXSIATSHKKJ-RXMQYKEDSA-N 1 0 169.146 0.663 50 0 ACAARO CC[C@@H](C)[C@@H]1CNCC[NH2+]1 56958711 351577360 /nfs/dbraw/zinc/57/73/60/351577360.db2.gz ZENDJDOEMBDKCK-SFYZADRCSA-N 1 0 142.246 0.594 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1cccc(F)c1 55032586 351577451 /nfs/dbraw/zinc/57/74/51/351577451.db2.gz HAIKRIJRRRGFJN-SECBINFHSA-N 1 0 169.199 0.992 50 0 ACAARO O[C@@]1(C(F)(F)F)CCC[NH2+]C1 57218887 351577506 /nfs/dbraw/zinc/57/75/06/351577506.db2.gz SCISXSIATSHKKJ-YFKPBYRVSA-N 1 0 169.146 0.663 50 0 ACAARO OCCn1nccc1C1CC[NH2+]CC1 57217689 351577549 /nfs/dbraw/zinc/57/75/49/351577549.db2.gz PACPCAVBQIGQPX-UHFFFAOYSA-N 1 0 195.266 0.342 50 0 in-vitro ACAARO c1cc(OC2C[NH2+]C2)ccn1 57218567 351577555 /nfs/dbraw/zinc/57/75/55/351577555.db2.gz RLQYIYTUKIVZKO-UHFFFAOYSA-N 1 0 150.181 0.432 50 0 in-vitro ACAARO CC[C@@H](C)[C@H]1CNCC[NH2+]1 56958718 351577592 /nfs/dbraw/zinc/57/75/92/351577592.db2.gz ZENDJDOEMBDKCK-HTQZYQBOSA-N 1 0 142.246 0.594 50 0 in-vitro ACAARO O[C@]1(C(F)(F)F)CC[NH2+]C1 57218891 351577684 /nfs/dbraw/zinc/57/76/84/351577684.db2.gz PLQLGPQFZLVKTF-SCSAIBSYSA-N 1 0 155.119 0.273 50 0 in-vitro ACAARO CC[C@@H](C)[C@H]([NH3+])C(=O)OC 55045540 351577709 /nfs/dbraw/zinc/57/77/09/351577709.db2.gz YXMMTUJDQTVJEN-RITPCOANSA-N 1 0 145.202 0.533 50 0 ACAARO c1csc(OC2C[NH2+]C2)n1 57218585 351577735 /nfs/dbraw/zinc/57/77/35/351577735.db2.gz YIOXSECGDVLEBV-UHFFFAOYSA-N 1 0 156.210 0.494 50 0 ACAARO O[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F 57219148 351578411 /nfs/dbraw/zinc/57/84/11/351578411.db2.gz NKVGSTBMABUXRA-NTSWFWBYSA-N 1 0 183.173 0.909 50 0 in-vitro ACAARO O[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F 57219147 351578570 /nfs/dbraw/zinc/57/85/70/351578570.db2.gz NKVGSTBMABUXRA-RITPCOANSA-N 1 0 183.173 0.909 50 0 in-vitro ACAARO O[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F 57219150 351578590 /nfs/dbraw/zinc/57/85/90/351578590.db2.gz NKVGSTBMABUXRA-PHDIDXHHSA-N 1 0 183.173 0.909 50 0 in-vitro ACAARO OC[C@@H]1CCC[NH2+]CC1 57354213 351578657 /nfs/dbraw/zinc/57/86/57/351578657.db2.gz ICMFRWRTMCSQFV-SSDOTTSWSA-N 1 0 129.203 0.368 50 0 in-vitro ACAARO O[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)F 57219146 351578758 /nfs/dbraw/zinc/57/87/58/351578758.db2.gz NKVGSTBMABUXRA-WDSKDSINSA-N 1 0 183.173 0.909 50 0 in-vitro ACAARO CC(C)C[C@H](O)[C@H](C)[NH3+] 57935236 351579387 /nfs/dbraw/zinc/57/93/87/351579387.db2.gz AJGWEVDJSFFEDY-BQBZGAKWSA-N 1 0 131.219 0.741 50 0 ACAARO O[C@@H]([C@H]1CCC[NH2+]1)C(F)(F)F 58037948 351579457 /nfs/dbraw/zinc/57/94/57/351579457.db2.gz FRCMYJLVRLEIBR-UHNVWZDZSA-N 1 0 169.146 0.662 50 0 in-vitro ACAARO O[C@H]([C@H]1CCC[NH2+]1)C(F)(F)F 58037962 351579480 /nfs/dbraw/zinc/57/94/80/351579480.db2.gz FRCMYJLVRLEIBR-RFZPGFLSSA-N 1 0 169.146 0.662 50 0 in-vitro ACAARO CC(C)C[C@@H](O)[C@H](C)[NH3+] 57935239 351579670 /nfs/dbraw/zinc/57/96/70/351579670.db2.gz AJGWEVDJSFFEDY-NKWVEPMBSA-N 1 0 131.219 0.741 50 0 ACAARO O[C@H]([C@@H]1CCC[NH2+]1)C(F)(F)F 58037969 351579693 /nfs/dbraw/zinc/57/96/93/351579693.db2.gz FRCMYJLVRLEIBR-CRCLSJGQSA-N 1 0 169.146 0.662 50 0 in-vitro ACAARO CC(C)CS(=O)(=O)CCCC[NH3+] 58251617 351579736 /nfs/dbraw/zinc/57/97/36/351579736.db2.gz ANOVCKAGUDDISH-UHFFFAOYSA-N 1 0 193.312 0.796 50 0 ACAARO CCS(=O)(=O)C1CC[NH2+]CC1 58256137 351579784 /nfs/dbraw/zinc/57/97/84/351579784.db2.gz JMYXSHLCNUBQQY-UHFFFAOYSA-N 1 0 177.269 0.173 50 0 in-vitro ACAARO CC(C)C[C@H](O)[C@@H](C)[NH3+] 57935231 351579896 /nfs/dbraw/zinc/57/98/96/351579896.db2.gz AJGWEVDJSFFEDY-RQJHMYQMSA-N 1 0 131.219 0.741 50 0 ACAARO CC(C)C[C@@H](O)[C@@H](C)[NH3+] 57935234 351580117 /nfs/dbraw/zinc/58/01/17/351580117.db2.gz AJGWEVDJSFFEDY-RNFRBKRXSA-N 1 0 131.219 0.741 50 0 ACAARO C[C@@H]1[NH2+]CCO[C@@H]1C 57935220 351580125 /nfs/dbraw/zinc/58/01/25/351580125.db2.gz LTJFPCBECZHXNS-NTSWFWBYSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@@H]1OCC[NH2+]C1(C)C 57935224 351580178 /nfs/dbraw/zinc/58/01/78/351580178.db2.gz OAHWEYXHLNJBRW-LURJTMIESA-N 1 0 129.203 0.773 50 0 ACAARO OCc1ccc2c(c1)C[NH2+]C2 58235688 351580303 /nfs/dbraw/zinc/58/03/03/351580303.db2.gz RNLBNPQIMFCASQ-UHFFFAOYSA-N 1 0 149.193 0.782 50 0 in-vitro ACAARO O[C@@H]([C@@H]1CCC[NH2+]1)C(F)(F)F 58037956 351580314 /nfs/dbraw/zinc/58/03/14/351580314.db2.gz FRCMYJLVRLEIBR-WHFBIAKZSA-N 1 0 169.146 0.662 50 0 in-vitro ACAARO CCOc1cc(C)[nH+]c(NN)n1 58825429 351581545 /nfs/dbraw/zinc/58/15/45/351581545.db2.gz CSBFVPJVRPLRPL-UHFFFAOYSA-N 1 0 168.200 0.469 50 0 ACAARO c1nc([C@@H]2CCC[NH2+]C2)no1 60393378 351582719 /nfs/dbraw/zinc/58/27/19/351582719.db2.gz FAPUBBZZFHTOQQ-ZCFIWIBFSA-N 1 0 153.185 0.537 50 0 ACAARO OCC[NH2+][C@@H]1CCCSC1 61572647 351582887 /nfs/dbraw/zinc/58/28/87/351582887.db2.gz PIVFLGPLCOEYBH-SSDOTTSWSA-N 1 0 161.270 0.464 50 0 in-vitro ACAARO c1nc(C2CC[NH2+]CC2)no1 60393377 351582929 /nfs/dbraw/zinc/58/29/29/351582929.db2.gz ORFXJJVVHVUFCG-UHFFFAOYSA-N 1 0 153.185 0.537 50 0 ACAARO OCC[NH2+][C@H]1CCCSC1 61572645 351582947 /nfs/dbraw/zinc/58/29/47/351582947.db2.gz PIVFLGPLCOEYBH-ZETCQYMHSA-N 1 0 161.270 0.464 50 0 in-vitro ACAARO c1noc([C@H]2CC[NH2+]C2)n1 62119693 351586092 /nfs/dbraw/zinc/58/60/92/351586092.db2.gz ZYZFBCVRTCGSGR-YFKPBYRVSA-N 1 0 139.158 0.147 50 0 ACAARO c1noc([C@@H]2CC[NH2+]C2)n1 62119692 351586164 /nfs/dbraw/zinc/58/61/64/351586164.db2.gz ZYZFBCVRTCGSGR-RXMQYKEDSA-N 1 0 139.158 0.147 50 0 ACAARO c1ncc(CN2CC[NH2+]CC2)s1 62201131 351586247 /nfs/dbraw/zinc/58/62/47/351586247.db2.gz OLFBTDYWKRJXSH-UHFFFAOYSA-N 1 0 183.280 0.548 50 0 ACAARO CCSc1nnc(C[NH3+])n1C 62152630 351586344 /nfs/dbraw/zinc/58/63/44/351586344.db2.gz QZMUTAWUVWPSRF-UHFFFAOYSA-N 1 0 172.257 0.386 50 0 in-vitro ACAARO O[C@@]1(Cc2ccccc2)CC[NH2+]C1 62716687 351589605 /nfs/dbraw/zinc/58/96/05/351589605.db2.gz GPUVEPPJCNADBH-LLVKDONJSA-N 1 0 177.247 0.954 50 0 ACAARO c1n[nH]cc1[C@@H]1CCC[NH2+]1 62775458 351589911 /nfs/dbraw/zinc/58/99/11/351589911.db2.gz XKYLOHBQOURYOK-ZETCQYMHSA-N 1 0 137.186 0.834 50 0 in-vitro ACAARO c1ccc(OC2C[NH2+]C2)nc1 62810099 351589942 /nfs/dbraw/zinc/58/99/42/351589942.db2.gz QQMCPYJKGBZIMO-UHFFFAOYSA-N 1 0 150.181 0.432 50 0 ACAARO C[C@@]1(C(=O)N2CCCC2)CC[NH2+]C1 62879028 351590010 /nfs/dbraw/zinc/59/00/10/351590010.db2.gz XBDNOXALPIKRGH-SNVBAGLBSA-N 1 0 182.267 0.608 50 0 ACAARO O[C@]1(Cc2ccccc2)CC[NH2+]C1 62716688 351590095 /nfs/dbraw/zinc/59/00/95/351590095.db2.gz GPUVEPPJCNADBH-NSHDSACASA-N 1 0 177.247 0.954 50 0 ACAARO O[C@@H]1CCOC2(CC[NH2+]CC2)C1 66323541 351592700 /nfs/dbraw/zinc/59/27/00/351592700.db2.gz LDDNCHISFWVZQK-MRVPVSSYSA-N 1 0 171.240 0.280 50 0 in-vitro ACAARO CC(C)=CCN1CC[NH2+]C[C@@H]1CCO 66054478 351592773 /nfs/dbraw/zinc/59/27/73/351592773.db2.gz SDOGLKLYKWNVNY-NSHDSACASA-N 1 0 198.310 0.609 50 0 ACAARO O[C@H]1CCOC2(CC[NH2+]CC2)C1 66323542 351592843 /nfs/dbraw/zinc/59/28/43/351592843.db2.gz LDDNCHISFWVZQK-QMMMGPOBSA-N 1 0 171.240 0.280 50 0 in-vitro ACAARO c1ncc([C@@H]2CCC[NH2+]2)cn1 66323468 351593260 /nfs/dbraw/zinc/59/32/60/351593260.db2.gz IJQSRHRECQOAAX-QMMMGPOBSA-N 1 0 149.197 0.901 50 0 ACAARO c1ncc([C@H]2CCC[NH2+]2)cn1 66323469 351593272 /nfs/dbraw/zinc/59/32/72/351593272.db2.gz IJQSRHRECQOAAX-MRVPVSSYSA-N 1 0 149.197 0.901 50 0 ACAARO CC(C)=CCN1CC[NH2+]C[C@H]1CCO 66054479 351593356 /nfs/dbraw/zinc/59/33/56/351593356.db2.gz SDOGLKLYKWNVNY-LLVKDONJSA-N 1 0 198.310 0.609 50 0 ACAARO CC1(C)COC[C@@H](C[NH3+])O1 66055000 351593362 /nfs/dbraw/zinc/59/33/62/351593362.db2.gz WNXXIZJLBHJTQN-ZCFIWIBFSA-N 1 0 145.202 0.139 50 0 ACAARO C[C@@H]1[NH2+]CC[S@](=O)[C@H]1C 68576413 351593862 /nfs/dbraw/zinc/59/38/62/351593862.db2.gz JYHRQKWTPCFPJR-ATVXKPNKSA-N 1 0 147.243 0.115 50 0 in-vitro ACAARO OC[C@H]1[NH2+]CCc2ccccc21 66354520 351593924 /nfs/dbraw/zinc/59/39/24/351593924.db2.gz BGGIPVPHBWWEJT-SNVBAGLBSA-N 1 0 163.220 0.866 50 0 in-vitro ACAARO O[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 67172344 351593951 /nfs/dbraw/zinc/59/39/51/351593951.db2.gz XOLLUCNYIRMTHL-GHMZBOCLSA-N 1 0 177.247 0.809 50 0 ACAARO OC[C@@H]1[NH2+]CCc2ccccc21 66354521 351594162 /nfs/dbraw/zinc/59/41/62/351594162.db2.gz BGGIPVPHBWWEJT-JTQLQIEISA-N 1 0 163.220 0.866 50 0 in-vitro ACAARO CC(C)C[NH+]1CC(O)C1 67425153 351594176 /nfs/dbraw/zinc/59/41/76/351594176.db2.gz LOUFPHFLZOBIHA-UHFFFAOYSA-N 1 0 129.203 0.319 50 0 in-vitro ACAARO OC1C[NH+](C2CCCC2)C1 67425168 351594323 /nfs/dbraw/zinc/59/43/23/351594323.db2.gz FNAYMOBMZYNSPJ-UHFFFAOYSA-N 1 0 141.214 0.606 50 0 in-vitro ACAARO C[C@@H]1[NH2+]CC[S@](=O)[C@@H]1C 68576416 351594407 /nfs/dbraw/zinc/59/44/07/351594407.db2.gz JYHRQKWTPCFPJR-CCGCGBOQSA-N 1 0 147.243 0.115 50 0 in-vitro ACAARO C[C@H]1CN(CCCO)C(C)(C)C[NH2+]1 67172981 351594532 /nfs/dbraw/zinc/59/45/32/351594532.db2.gz AOASHRJSNYWCET-VIFPVBQESA-N 1 0 186.299 0.441 50 0 ACAARO OC1C[NH+](CC2CC2)C1 67425177 351594711 /nfs/dbraw/zinc/59/47/11/351594711.db2.gz OCGWGBMAHCZJOO-UHFFFAOYSA-N 1 0 127.187 0.073 50 0 in-vitro ACAARO C[C@@H]1CC[NH2+][C@H]([C@@H](C)O)C1 69940101 351600902 /nfs/dbraw/zinc/60/09/02/351600902.db2.gz SXOPRLKJOAEPBP-PRJMDXOYSA-N 1 0 143.230 0.755 50 0 in-vitro ACAARO C[C@@](O)(C[NH3+])c1ccsc1 68577520 351595241 /nfs/dbraw/zinc/59/52/41/351595241.db2.gz ZAJXVNUBGZQVBD-SSDOTTSWSA-N 1 0 157.238 0.914 50 0 in-vitro ACAARO c1nc([C@@H]2CCC[NH2+]2)no1 70131294 351601965 /nfs/dbraw/zinc/60/19/65/351601965.db2.gz ATFSESSLTKRXKN-YFKPBYRVSA-N 1 0 139.158 0.494 50 0 in-vitro ACAARO c1n[nH]cc1[C@@H]1CCC[NH2+]C1 68585294 351595910 /nfs/dbraw/zinc/59/59/10/351595910.db2.gz LZQLJAMVAKAJPK-SSDOTTSWSA-N 1 0 151.213 0.877 50 0 in-vitro ACAARO COC[C@H]([NH3+])C1CCOCC1 68957514 351596271 /nfs/dbraw/zinc/59/62/71/351596271.db2.gz KDCRMCSYRICXJG-QMMMGPOBSA-N 1 0 159.229 0.387 50 0 ACAARO COC[C@@H]([NH3+])C1CCOCC1 68957518 351596308 /nfs/dbraw/zinc/59/63/08/351596308.db2.gz KDCRMCSYRICXJG-MRVPVSSYSA-N 1 0 159.229 0.387 50 0 ACAARO Cn1cc(C(C)(C)[NH3+])nn1 69680051 351598782 /nfs/dbraw/zinc/59/87/82/351598782.db2.gz MZJWDWXEZBZSID-UHFFFAOYSA-N 1 0 140.190 0.009 50 0 ACAARO Cn1cc(C[C@H]2CCC[NH2+]2)cn1 69841639 351599444 /nfs/dbraw/zinc/59/94/44/351599444.db2.gz ZBFJXJJLHWFPPQ-SECBINFHSA-N 1 0 165.240 0.715 50 0 ACAARO Cn1cc(C[C@@H]2CCC[NH2+]2)cn1 69841636 351599625 /nfs/dbraw/zinc/59/96/25/351599625.db2.gz ZBFJXJJLHWFPPQ-VIFPVBQESA-N 1 0 165.240 0.715 50 0 ACAARO O[C@H]1C[NH2+][C@@H](C2CC2)C1 69970661 351600603 /nfs/dbraw/zinc/60/06/03/351600603.db2.gz WQMQMQILRPCGGI-RNFRBKRXSA-N 1 0 127.187 0.119 50 0 in-vitro ACAARO O[C@@H]1C[NH2+][C@@H]([C@H]2CCCOC2)C1 69970861 351600716 /nfs/dbraw/zinc/60/07/16/351600716.db2.gz LBTXLKFGHXHZMQ-XHNCKOQMSA-N 1 0 171.240 0.136 50 0 ACAARO O[C@@H]1C[NH2+][C@H]([C@@H]2CCCOC2)C1 69970858 351600754 /nfs/dbraw/zinc/60/07/54/351600754.db2.gz LBTXLKFGHXHZMQ-VGMNWLOBSA-N 1 0 171.240 0.136 50 0 ACAARO C[C@@H]1CC[NH2+][C@@H]([C@@H](C)O)C1 69940103 351600766 /nfs/dbraw/zinc/60/07/66/351600766.db2.gz SXOPRLKJOAEPBP-BWZBUEFSSA-N 1 0 143.230 0.755 50 0 in-vitro ACAARO O[C@H]1C[NH2+][C@H](C2CC2)C1 69970658 351600787 /nfs/dbraw/zinc/60/07/87/351600787.db2.gz WQMQMQILRPCGGI-RQJHMYQMSA-N 1 0 127.187 0.119 50 0 in-vitro ACAARO [NH3+]CC[C@@H](O)COCc1ccccc1 69906795 351600923 /nfs/dbraw/zinc/60/09/23/351600923.db2.gz XOUYBRFTHNBTDV-LLVKDONJSA-N 1 0 195.262 0.913 50 0 ACAARO [NH3+]CC[C@H](O)COCc1ccccc1 69906796 351600995 /nfs/dbraw/zinc/60/09/95/351600995.db2.gz XOUYBRFTHNBTDV-NSHDSACASA-N 1 0 195.262 0.913 50 0 ACAARO O[C@@H]1C[NH2+][C@@H]([C@@H]2CCCOC2)C1 69970863 351601003 /nfs/dbraw/zinc/60/10/03/351601003.db2.gz LBTXLKFGHXHZMQ-HRDYMLBCSA-N 1 0 171.240 0.136 50 0 ACAARO c1nc([C@H]2CCC[NH2+]2)no1 70131295 351601976 /nfs/dbraw/zinc/60/19/76/351601976.db2.gz ATFSESSLTKRXKN-RXMQYKEDSA-N 1 0 139.158 0.494 50 0 in-vitro ACAARO C[C@@H]1CC[C@@H]([NH2+]CCO)C1 70621853 351603815 /nfs/dbraw/zinc/60/38/15/351603815.db2.gz ZZQIOQXHMKWKTB-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[C@@H]1CCC[C@H]1[NH2+]CCO 70829499 351607107 /nfs/dbraw/zinc/60/71/07/351607107.db2.gz VZZLRLOGBIIRNV-HTQZYQBOSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO C[C@@H]1CCC[C@@H]1[NH2+]CCO 70829495 351607121 /nfs/dbraw/zinc/60/71/21/351607121.db2.gz VZZLRLOGBIIRNV-SFYZADRCSA-N 1 0 143.230 0.757 50 0 in-vitro ACAARO CC(C)([NH3+])c1nc2c(c(=O)[nH]1)CCC2 70948628 351607841 /nfs/dbraw/zinc/60/78/41/351607841.db2.gz GSSBKBOJCXNPKA-UHFFFAOYSA-N 1 0 193.250 0.452 50 0 ACAARO CC(C)([NH3+])c1ncccn1 70948575 351608450 /nfs/dbraw/zinc/60/84/50/351608450.db2.gz WMZPOKSWBFKNMG-UHFFFAOYSA-N 1 0 137.186 0.670 50 0 ACAARO O=c1ccnc(C2CC[NH2+]CC2)[nH]1 71024790 351609641 /nfs/dbraw/zinc/60/96/41/351609641.db2.gz MJICLXPMCSTXOS-UHFFFAOYSA-N 1 0 179.223 0.237 50 0 ACAARO CC(C)([NH3+])c1nc(C2CC2)cc(=O)[nH]1 71009175 351609774 /nfs/dbraw/zinc/60/97/74/351609774.db2.gz YIZIAYJZKRNCJO-UHFFFAOYSA-N 1 0 193.250 0.841 50 0 ACAARO O=c1ccnc([C@@H]2CCC[NH2+]2)[nH]1 71024791 351609927 /nfs/dbraw/zinc/60/99/27/351609927.db2.gz PQWLVABKZYMMJW-LURJTMIESA-N 1 0 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82392155 351636040 /nfs/dbraw/zinc/63/60/40/351636040.db2.gz KMNTYEYDNBONGP-RNFRBKRXSA-N 1 0 186.255 0.953 50 0 in-vitro ACAARO C[C@@H]1[C@@H]([NH3+])CN1C(=O)OC(C)(C)C 82392157 351636130 /nfs/dbraw/zinc/63/61/30/351636130.db2.gz KMNTYEYDNBONGP-RQJHMYQMSA-N 1 0 186.255 0.953 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@H](C(F)(F)F)N1C 82395417 351636187 /nfs/dbraw/zinc/63/61/87/351636187.db2.gz XEFMLFFPIDIMHK-PHDIDXHHSA-N 1 0 182.189 0.841 50 0 ACAARO C[C@@H]1C[NH2+]C[C@@H](C(F)(F)F)N1C 82395419 351636247 /nfs/dbraw/zinc/63/62/47/351636247.db2.gz XEFMLFFPIDIMHK-RITPCOANSA-N 1 0 182.189 0.841 50 0 ACAARO O[C@@H]1CC[NH2+][C@H]1Cc1ccccc1 82398210 351636914 /nfs/dbraw/zinc/63/69/14/351636914.db2.gz FLYGBVQBEQQUPQ-WDEREUQCSA-N 1 0 177.247 0.952 50 0 ACAARO O[C@H]1CC[NH2+][C@H]1Cc1ccccc1 82398211 351637167 /nfs/dbraw/zinc/63/71/67/351637167.db2.gz FLYGBVQBEQQUPQ-QWRGUYRKSA-N 1 0 177.247 0.952 50 0 ACAARO CC(C)([NH3+])CCN1CCOCC1 82399907 351637273 /nfs/dbraw/zinc/63/72/73/351637273.db2.gz 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82411734 351638081 /nfs/dbraw/zinc/63/80/81/351638081.db2.gz WFVKNHIDEGYGPD-RITPCOANSA-N 1 0 115.176 0.370 50 0 in-vitro ACAARO C[C@@H]1CSC[C@@H]1[NH3+] 82411681 351638127 /nfs/dbraw/zinc/63/81/27/351638127.db2.gz KIMYQDGXIBABDJ-UHNVWZDZSA-N 1 0 117.217 0.697 50 0 in-vitro ACAARO O[C@H]1CC[NH2+]C2(CCC2)C1 82409927 351638147 /nfs/dbraw/zinc/63/81/47/351638147.db2.gz ASCLLKMZVAOUCM-ZETCQYMHSA-N 1 0 141.214 0.653 50 0 ACAARO O[C@@H]1CC[NH2+]C2(CC2)C1 82411301 351638150 /nfs/dbraw/zinc/63/81/50/351638150.db2.gz FELCDPIWDBXKIV-ZCFIWIBFSA-N 1 0 127.187 0.263 50 0 ACAARO C[C@@H]1CC[C@@H](O)[C@H]([NH3+])C1 82411149 351638198 /nfs/dbraw/zinc/63/81/98/351638198.db2.gz YUUPBWOVKNLYIW-FSDSQADBSA-N 1 0 129.203 0.495 50 0 in-vitro ACAARO O[C@H]1CC[NH2+]C2(CC2)C1 82411302 351638216 /nfs/dbraw/zinc/63/82/16/351638216.db2.gz FELCDPIWDBXKIV-LURJTMIESA-N 1 0 127.187 0.263 50 0 ACAARO c1ncnc(C2CC[NH2+]CC2)n1 82522649 351639414 /nfs/dbraw/zinc/63/94/14/351639414.db2.gz CTDYWFZWNRJCHH-UHFFFAOYSA-N 1 0 164.212 0.339 50 0 ACAARO CC(C)([NH3+])c1ncc[nH]1 82522252 351639433 /nfs/dbraw/zinc/63/94/33/351639433.db2.gz BDBSRCUXKGLKOH-UHFFFAOYSA-N 1 0 125.175 0.604 50 0 ACAARO c1nc(CN2CC[NH2+]CC2)co1 82633100 351640454 /nfs/dbraw/zinc/64/04/54/351640454.db2.gz ULQCVOBYEBDLNC-UHFFFAOYSA-N 1 0 167.212 0.080 50 0 ACAARO c1cn(CC2CC[NH2+]CC2)nn1 82655502 351640714 /nfs/dbraw/zinc/64/07/14/351640714.db2.gz IRPFSJQQONMYDX-UHFFFAOYSA-N 1 0 166.228 0.278 50 0 in-vitro ACAARO c1ccc([C@@H]2C[NH2+]CCN2)cc1 94986201 351666137 /nfs/dbraw/zinc/66/61/37/351666137.db2.gz RIMRLBGNCLMSNH-JTQLQIEISA-N 1 0 162.236 0.921 50 0 in-vitro ACAARO c1cnnc(C2CC[NH2+]CC2)c1 82850781 351642324 /nfs/dbraw/zinc/64/23/24/351642324.db2.gz LLTKZTLGSNQUGE-UHFFFAOYSA-N 1 0 163.224 0.944 50 0 ACAARO c1c[nH]c([C@@H]2C[NH2+]CCO2)n1 82842364 351642185 /nfs/dbraw/zinc/64/21/85/351642185.db2.gz KMGHOGSBGFJQQC-LURJTMIESA-N 1 0 153.185 0.071 50 0 in-vitro ACAARO OCC1([NH2+]C2CC2)CCC1 82863445 351642308 /nfs/dbraw/zinc/64/23/08/351642308.db2.gz BSPYGECDENQZNT-UHFFFAOYSA-N 1 0 141.214 0.653 50 0 ACAARO c1c[nH]c([C@H]2CC[NH2+]C2)n1 82837019 351642374 /nfs/dbraw/zinc/64/23/74/351642374.db2.gz MFPWCWPABOEDFM-LURJTMIESA-N 1 0 137.186 0.487 50 0 ACAARO CC(C)([NH3+])c1ccon1 82836025 351642449 /nfs/dbraw/zinc/64/24/49/351642449.db2.gz NKFUPUJREUJDGV-UHFFFAOYSA-N 1 0 126.159 0.868 50 0 ACAARO c1c[nH]c([C@H]2C[NH2+]CCO2)n1 82842366 351642475 /nfs/dbraw/zinc/64/24/75/351642475.db2.gz KMGHOGSBGFJQQC-ZCFIWIBFSA-N 1 0 153.185 0.071 50 0 in-vitro ACAARO c1n[nH]nc1C1CC[NH2+]CC1 82841683 351642540 /nfs/dbraw/zinc/64/25/40/351642540.db2.gz LGIWBPLJDKOQSX-UHFFFAOYSA-N 1 0 152.201 0.272 50 0 in-vitro ACAARO C[C@@H]1CCC[NH2+][C@@H]1CN 83119302 351643206 /nfs/dbraw/zinc/64/32/06/351643206.db2.gz LXTOOORAYUNLJK-RNFRBKRXSA-N 1 0 128.219 0.333 50 0 in-vitro ACAARO CSCC[C@@H](O)C[NH3+] 82917284 351643247 /nfs/dbraw/zinc/64/32/47/351643247.db2.gz VRKZLONDSNHQRN-RXMQYKEDSA-N 1 0 135.232 0.059 50 0 ACAARO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1 83060839 351643339 /nfs/dbraw/zinc/64/33/39/351643339.db2.gz WMSMHECRTQDPAK-SECBINFHSA-N 1 0 184.283 0.459 50 0 in-vitro ACAARO C[C@@H]1CCC[NH2+][C@H]1CN 83119304 351643369 /nfs/dbraw/zinc/64/33/69/351643369.db2.gz LXTOOORAYUNLJK-RQJHMYQMSA-N 1 0 128.219 0.333 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C2(CCCC2)CN1 82960608 351643626 /nfs/dbraw/zinc/64/36/26/351643626.db2.gz LWYOOVDJHYJCFH-MRVPVSSYSA-N 1 0 154.257 0.881 50 0 ACAARO O[C@@]1(C2CC2)CC[NH2+]C1 83119859 351643719 /nfs/dbraw/zinc/64/37/19/351643719.db2.gz VDDGQWSGGBMWQU-ZETCQYMHSA-N 1 0 127.187 0.121 50 0 in-vitro ACAARO O[C@]1(C2CC2)CC[NH2+]C1 83119860 351643723 /nfs/dbraw/zinc/64/37/23/351643723.db2.gz VDDGQWSGGBMWQU-SSDOTTSWSA-N 1 0 127.187 0.121 50 0 in-vitro ACAARO OC[C@@]1(C(F)(F)F)CC[NH2+]C1 83300751 351644115 /nfs/dbraw/zinc/64/41/15/351644115.db2.gz PEQFBLZKNOHWSY-RXMQYKEDSA-N 1 0 169.146 0.521 50 0 in-vitro ACAARO O[C@H]1CCCC[NH2+]C1 83267278 351644171 /nfs/dbraw/zinc/64/41/71/351644171.db2.gz SWIMYOUDBYVEIN-LURJTMIESA-N 1 0 115.176 0.121 50 0 ACAARO CC(C)([NH3+])c1nnc2n1CCCC2 83273800 351644378 /nfs/dbraw/zinc/64/43/78/351644378.db2.gz WNUWTZJAGOULPQ-UHFFFAOYSA-N 1 0 180.255 0.808 50 0 in-vitro ACAARO c1nc([C@@H]2CC[NH2+]C2)no1 83267587 351644252 /nfs/dbraw/zinc/64/42/52/351644252.db2.gz DTAFNVJRXJKUTM-RXMQYKEDSA-N 1 0 139.158 0.147 50 0 ACAARO [NH3+][C@@H](CO)c1ccc(Cl)nc1 83272026 351644337 /nfs/dbraw/zinc/64/43/37/351644337.db2.gz ZZRYQEVGEQGEAS-LURJTMIESA-N 1 0 172.615 0.727 50 0 ACAARO OC[C@]1(C(F)(F)F)CC[NH2+]C1 83300746 351644423 /nfs/dbraw/zinc/64/44/23/351644423.db2.gz PEQFBLZKNOHWSY-YFKPBYRVSA-N 1 0 169.146 0.521 50 0 in-vitro ACAARO c1nnc([C@@H]2CCC[NH2+]2)s1 83268764 351644560 /nfs/dbraw/zinc/64/45/60/351644560.db2.gz VUKRYBZSEXJSLP-YFKPBYRVSA-N 1 0 155.226 0.963 50 0 ACAARO O[C@@H]1CCCC[NH2+]C1 83267277 351644755 /nfs/dbraw/zinc/64/47/55/351644755.db2.gz SWIMYOUDBYVEIN-ZCFIWIBFSA-N 1 0 115.176 0.121 50 0 ACAARO O[C@H]1C[C@@H]2CCCC[N@@H+]2C1 83255403 351644765 /nfs/dbraw/zinc/64/47/65/351644765.db2.gz JNCBPYOPMRTLKR-YUMQZZPRSA-N 1 0 141.214 0.606 50 0 in-vitro ACAARO c1nnc([C@H]2CCC[NH2+]2)s1 83268765 351644779 /nfs/dbraw/zinc/64/47/79/351644779.db2.gz VUKRYBZSEXJSLP-RXMQYKEDSA-N 1 0 155.226 0.963 50 0 ACAARO c1nc([C@H]2CC[NH2+]C2)no1 83267588 351644822 /nfs/dbraw/zinc/64/48/22/351644822.db2.gz DTAFNVJRXJKUTM-YFKPBYRVSA-N 1 0 139.158 0.147 50 0 ACAARO O[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 83255401 351644826 /nfs/dbraw/zinc/64/48/26/351644826.db2.gz JNCBPYOPMRTLKR-JGVFFNPUSA-N 1 0 141.214 0.606 50 0 in-vitro ACAARO OCC[NH2+]Cc1cccnc1Cl 83341241 351645083 /nfs/dbraw/zinc/64/50/83/351645083.db2.gz NJXJFNLZGBNACW-UHFFFAOYSA-N 1 0 186.642 0.817 50 0 ACAARO C[C@@H]1C[NH2+]CC2(CCOCC2)O1 83471563 351645273 /nfs/dbraw/zinc/64/52/73/351645273.db2.gz KFEHLGNNRIJKCV-MRVPVSSYSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@]2(CCCOC2)O1 83471626 351645341 /nfs/dbraw/zinc/64/53/41/351645341.db2.gz WECVITHMQNGXJT-RKDXNWHRSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@]2(CCOC2)O1 83471823 351645391 /nfs/dbraw/zinc/64/53/91/351645391.db2.gz PTBMPLQSWYVVMM-HTQZYQBOSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@]2(CCOC2)O1 83471821 351645436 /nfs/dbraw/zinc/64/54/36/351645436.db2.gz PTBMPLQSWYVVMM-SFYZADRCSA-N 1 0 157.213 0.154 50 0 in-vitro ACAARO CC(C)(O)CNc1cc(N)cc[nH+]1 83461597 351645509 /nfs/dbraw/zinc/64/55/09/351645509.db2.gz GZIQHUCQRGBGBE-UHFFFAOYSA-N 1 0 181.239 0.847 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@]2(CCCOC2)O1 83471623 351645748 /nfs/dbraw/zinc/64/57/48/351645748.db2.gz WECVITHMQNGXJT-BDAKNGLRSA-N 1 0 171.240 0.544 50 0 in-vitro ACAARO CC(C)(O)C[NH2+][C@@H]1CCSC1 83461184 351645763 /nfs/dbraw/zinc/64/57/63/351645763.db2.gz BYZDKNSLOMPPSW-SSDOTTSWSA-N 1 0 175.297 0.852 50 0 ACAARO c1cc([C@@H]2C[NH2+]CCN2)ccn1 95691003 351671679 /nfs/dbraw/zinc/67/16/79/351671679.db2.gz QXMBJNMNHCGVDT-VIFPVBQESA-N 1 0 163.224 0.316 50 0 in-vitro ACAARO COC(C)(C)C(N)=[NH2+] 83825561 351647762 /nfs/dbraw/zinc/64/77/62/351647762.db2.gz WJHMSDIEUIZYLG-UHFFFAOYSA-N 1 0 116.164 0.347 50 0 in-vitro ACAARO C[C@@H]1CN(CC(C)(C)O)CC[NH2+]1 83814851 351647771 /nfs/dbraw/zinc/64/77/71/351647771.db2.gz OIQQKFXQWQDNNL-MRVPVSSYSA-N 1 0 172.272 0.051 50 0 in-vitro ACAARO C[C@@H]1[NH2+]CCC[C@@H]1CO 84237492 351648635 /nfs/dbraw/zinc/64/86/35/351648635.db2.gz DAAYDZZFCLQTFA-NKWVEPMBSA-N 1 0 129.203 0.367 50 0 in-vitro ACAARO [NH3+]C[C@@H](CO)c1cccc(F)c1 84331572 351649407 /nfs/dbraw/zinc/64/94/07/351649407.db2.gz MATHYTBQRCEHIS-QMMMGPOBSA-N 1 0 169.199 0.860 50 0 ACAARO O[C@H]1CC[C@@H]2CC[C@H]1[NH2+]2 84309762 351649425 /nfs/dbraw/zinc/64/94/25/351649425.db2.gz AOYUQKRGAQMSJV-XVMARJQXSA-N 1 0 127.187 0.262 50 0 ACAARO CC(C)(O)[C@@H]([NH3+])C1CC1 84327322 351649648 /nfs/dbraw/zinc/64/96/48/351649648.db2.gz UPUDUWVEAZOVQS-LURJTMIESA-N 1 0 129.203 0.495 50 0 in-vitro ACAARO c1nc(C2CC2)nc2c1CC[NH2+]C2 84249234 351649741 /nfs/dbraw/zinc/64/97/41/351649741.db2.gz WFMOPNXLWDNLJU-UHFFFAOYSA-N 1 0 175.235 1.000 50 0 in-vitro ACAARO O[C@@H]1C[NH2+]CCC12CC2 84309746 351649804 /nfs/dbraw/zinc/64/98/04/351649804.db2.gz UTLJTKFPIYWIRV-ZCFIWIBFSA-N 1 0 127.187 0.121 50 0 in-vitro ACAARO O[C@H]1C[NH2+]CCC12CC2 84309744 351649940 /nfs/dbraw/zinc/64/99/40/351649940.db2.gz UTLJTKFPIYWIRV-LURJTMIESA-N 1 0 127.187 0.121 50 0 in-vitro ACAARO OCCC1(CCO)CC[NH2+]CC1 84310661 351649944 /nfs/dbraw/zinc/64/99/44/351649944.db2.gz JEJFQCLSTZAVLE-UHFFFAOYSA-N 1 0 173.256 0.121 50 0 ACAARO CC(C)COc1c[nH]c(C[NH3+])cc1=O 84968991 351651750 /nfs/dbraw/zinc/65/17/50/351651750.db2.gz GMHYKRZUYWXHQX-UHFFFAOYSA-N 1 0 196.250 0.868 50 0 ACAARO COC(=O)C[C@H](C[NH3+])C1CC1 85112661 351652527 /nfs/dbraw/zinc/65/25/27/351652527.db2.gz XKBRFSFTZYUKEK-SSDOTTSWSA-N 1 0 157.213 0.534 50 0 ACAARO C[C@@H]1CC[S@](=O)CC[NH2+]1 85318100 351652900 /nfs/dbraw/zinc/65/29/00/351652900.db2.gz QPIBDXWIHXCSIZ-HZGVNTEJSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO COC(=O)C[C@@H](C[NH3+])C1CC1 85112658 351652923 /nfs/dbraw/zinc/65/29/23/351652923.db2.gz XKBRFSFTZYUKEK-ZETCQYMHSA-N 1 0 157.213 0.534 50 0 ACAARO CCn1cc(C[NH2+]C)nn1 85272470 351652926 /nfs/dbraw/zinc/65/29/26/351652926.db2.gz DYTCZPBKZNDWEK-UHFFFAOYSA-N 1 0 140.190 0.017 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@H](C)S1=O 85304154 351653055 /nfs/dbraw/zinc/65/30/55/351653055.db2.gz OLIXMODZQVKARI-PHDIDXHHSA-N 1 0 147.243 0.115 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CCSC1 85339281 351653078 /nfs/dbraw/zinc/65/30/78/351653078.db2.gz JARIEFSABMMQON-ZCFIWIBFSA-N 1 0 131.244 0.959 50 0 in-vitro ACAARO C[C@@H]1CC[S@@](=O)CC[NH2+]1 85318098 351653167 /nfs/dbraw/zinc/65/31/67/351653167.db2.gz QPIBDXWIHXCSIZ-MUWHJKNJSA-N 1 0 147.243 0.117 50 0 in-vitro ACAARO C[C@@H](OC1C[NH2+]C1)C(F)(F)F 85422060 351653709 /nfs/dbraw/zinc/65/37/09/351653709.db2.gz SODVEOFMHDTURM-SCSAIBSYSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO C[C@@H]1CC[NH2+]CC[S@]1=O 85343996 351653653 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176.263 0.791 50 0 in-vitro ACAARO c1cn(C[C@@H]2CCCC[NH2+]2)nn1 90225688 351663935 /nfs/dbraw/zinc/66/39/35/351663935.db2.gz WQYVPLKUHYMUJI-QMMMGPOBSA-N 1 0 166.228 0.420 50 0 in-vitro ACAARO c1nc2c(n1C1CC1)CC[NH2+]C2 90225592 351664143 /nfs/dbraw/zinc/66/41/43/351664143.db2.gz IJAJWDVNQRQBJG-UHFFFAOYSA-N 1 0 163.224 0.864 50 0 ACAARO OC[C@]1(F)CCC[NH2+]C1 91692699 351666173 /nfs/dbraw/zinc/66/61/73/351666173.db2.gz GLXPGATYWFFNOK-LURJTMIESA-N 1 0 133.166 0.070 50 0 in-vitro ACAARO c1ccc([C@H]2C[NH2+]CCN2)cc1 94986202 351666203 /nfs/dbraw/zinc/66/62/03/351666203.db2.gz RIMRLBGNCLMSNH-SNVBAGLBSA-N 1 0 162.236 0.921 50 0 in-vitro ACAARO OC[C@@]1(F)CCC[NH2+]C1 91692698 351666313 /nfs/dbraw/zinc/66/63/13/351666313.db2.gz GLXPGATYWFFNOK-ZCFIWIBFSA-N 1 0 133.166 0.070 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@H](C)C1O 95090994 351668086 /nfs/dbraw/zinc/66/80/86/351668086.db2.gz XWMNKXXLTZKPQA-PHDIDXHHSA-N 1 0 129.203 0.223 50 0 ACAARO CC(C)C1=NC(=O)C2(CC[NH2+]CC2)N1 95483735 351669919 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141.214 0.368 50 0 ACAARO O[C@@H]1C[NH2+][C@H](c2nc(C3CC3)no2)C1 95619020 351671019 /nfs/dbraw/zinc/67/10/19/351671019.db2.gz ZRGVRQWXMJZKNN-BQBZGAKWSA-N 1 0 195.222 0.342 50 0 ACAARO O[C@H]1C[NH2+][C@@H](c2nc(C3CC3)no2)C1 95619022 351671034 /nfs/dbraw/zinc/67/10/34/351671034.db2.gz ZRGVRQWXMJZKNN-RNFRBKRXSA-N 1 0 195.222 0.342 50 0 ACAARO c1nc2c([nH]1)CC[NH2+]CC2 95635494 351671080 /nfs/dbraw/zinc/67/10/80/351671080.db2.gz YGGJYQPWXRLNBA-UHFFFAOYSA-N 1 0 137.186 0.098 50 0 ACAARO O[C@@H]1C[NH2+][C@@H](c2nc(C3CC3)no2)C1 95619021 351671167 /nfs/dbraw/zinc/67/11/67/351671167.db2.gz ZRGVRQWXMJZKNN-NKWVEPMBSA-N 1 0 195.222 0.342 50 0 ACAARO OC[C@H]1CC12CC[NH2+]CC2 95627233 351671181 /nfs/dbraw/zinc/67/11/81/351671181.db2.gz BAOOOTDYBKVUPX-SSDOTTSWSA-N 1 0 141.214 0.368 50 0 ACAARO OC[C@@H]1C[NH2+]CCC1(F)F 95704725 351671665 /nfs/dbraw/zinc/67/16/65/351671665.db2.gz XTGWMTQKEVTLQD-YFKPBYRVSA-N 1 0 151.156 0.224 50 0 in-vitro ACAARO c1cc([C@H]2C[NH2+]CCN2)ccn1 95691673 351671806 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CCO[C@@H]1C[C@H]([NH3+])C12CCOCC2 95883572 351674453 /nfs/dbraw/zinc/67/44/53/351674453.db2.gz JUKJNEUBOWFVOM-DTWKUNHWSA-N 1 0 185.267 0.919 50 0 in-vitro ACAARO CCO[C@@H]1C[C@@H]([NH3+])C12CCOCC2 95883574 351674526 /nfs/dbraw/zinc/67/45/26/351674526.db2.gz JUKJNEUBOWFVOM-RKDXNWHRSA-N 1 0 185.267 0.919 50 0 in-vitro ACAARO CCO[C@H]1C[C@@H]([NH3+])C12CCOCC2 95883575 351674716 /nfs/dbraw/zinc/67/47/16/351674716.db2.gz JUKJNEUBOWFVOM-BDAKNGLRSA-N 1 0 185.267 0.919 50 0 in-vitro ACAARO CCO[C@H]1C[C@H]([NH3+])C12CCOCC2 95883573 351674909 /nfs/dbraw/zinc/67/49/09/351674909.db2.gz JUKJNEUBOWFVOM-IUCAKERBSA-N 1 0 185.267 0.919 50 0 in-vitro ACAARO CCOc1ccc([C@H]([NH3+])CO)cn1 95836526 351674929 /nfs/dbraw/zinc/67/49/29/351674929.db2.gz ITEQQVJEKLKGJF-MRVPVSSYSA-N 1 0 182.223 0.472 50 0 ACAARO O=S(=O)(c1ccccc1)C1C[NH2+]C1 95908784 351675398 /nfs/dbraw/zinc/67/53/98/351675398.db2.gz ZAKRJACOZVLRFD-UHFFFAOYSA-N 1 0 197.259 0.432 50 0 ACAARO CC(C)CS(=O)(=O)C1C[NH2+]C1 95908680 351675484 /nfs/dbraw/zinc/67/54/84/351675484.db2.gz WMBAMORKIGEUMI-UHFFFAOYSA-N 1 0 177.269 0.029 50 0 ACAARO O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 95931224 351676778 /nfs/dbraw/zinc/67/67/78/351676778.db2.gz KYHMFVRVHASKGM-GJMOJQLCSA-N 1 0 141.214 0.367 50 0 ACAARO OCc1ccc2c[nH+]cn2c1 96024120 351678313 /nfs/dbraw/zinc/67/83/13/351678313.db2.gz BIKKPOLJEWZNOX-UHFFFAOYSA-N 1 0 148.165 0.827 50 0 in-vitro ACAARO c1cn(C2C[C@@H]3CC[C@H](C2)[NH2+]3)nn1 96034685 351679019 /nfs/dbraw/zinc/67/90/19/351679019.db2.gz ITKAFWORYUYJLA-JVHMLUBASA-N 1 0 178.239 0.734 50 0 ACAARO CCO[C@@H]1C[C@](O)(C[NH3+])C1(C)C 96300640 351679211 /nfs/dbraw/zinc/67/92/11/351679211.db2.gz PMWXOLMMZHLFDC-APPZFPTMSA-N 1 0 173.256 0.511 50 0 in-vitro ACAARO O[C@H](c1ncc[nH]1)C1CC[NH2+]CC1 96034507 351679235 /nfs/dbraw/zinc/67/92/35/351679235.db2.gz SGVSDXUFVJGQOJ-QMMMGPOBSA-N 1 0 181.239 0.443 50 0 in-vitro ACAARO O=c1ccc([C@H]2CCC[NH2+]2)n[nH]1 96034373 351679292 /nfs/dbraw/zinc/67/92/92/351679292.db2.gz JYSXFCRHRSRAGI-ZCFIWIBFSA-N 1 0 165.196 0.194 50 0 ACAARO CCO[C@H]1C[C@@](O)(C[NH3+])C1(C)C 96300643 351679307 /nfs/dbraw/zinc/67/93/07/351679307.db2.gz PMWXOLMMZHLFDC-IONNQARKSA-N 1 0 173.256 0.511 50 0 in-vitro ACAARO CCO[C@H]1C[C@](O)(C[NH3+])C1(C)C 96300641 351679352 /nfs/dbraw/zinc/67/93/52/351679352.db2.gz PMWXOLMMZHLFDC-CBAPKCEASA-N 1 0 173.256 0.511 50 0 in-vitro ACAARO O[C@@H](c1ncc[nH]1)C1CC[NH2+]CC1 96034506 351679727 /nfs/dbraw/zinc/67/97/27/351679727.db2.gz SGVSDXUFVJGQOJ-MRVPVSSYSA-N 1 0 181.239 0.443 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]CC[C@@]1(C)O 159702784 351755894 /nfs/dbraw/zinc/75/58/94/351755894.db2.gz HWLFFLCRXODCCY-RNFRBKRXSA-N 1 0 129.203 0.367 50 0 ACAARO C[C@@H]1C[C@@H]1C[N@H+](C)CC(=O)N(C)C 97105591 351683948 /nfs/dbraw/zinc/68/39/48/351683948.db2.gz AVIRGOOLHIXTQY-RKDXNWHRSA-N 1 0 184.283 0.662 50 0 ACAARO C[C@@H]1[NH2+]CCO[C@@]1(O)c1ccccc1 97054366 351683883 /nfs/dbraw/zinc/68/38/83/351683883.db2.gz FOJGZKHUZOIFKX-GXSJLCMTSA-N 1 0 193.246 0.840 50 0 ACAARO C[C@@H]1[NH2+]CCO[C@]1(O)c1ccccc1 97054374 351684527 /nfs/dbraw/zinc/68/45/27/351684527.db2.gz FOJGZKHUZOIFKX-ONGXEEELSA-N 1 0 193.246 0.840 50 0 ACAARO C[C@@H]1C[C@H]1C[N@H+](C)CC(=O)N(C)C 97105593 351684680 /nfs/dbraw/zinc/68/46/80/351684680.db2.gz AVIRGOOLHIXTQY-BDAKNGLRSA-N 1 0 184.283 0.662 50 0 ACAARO CCOc1cc(C[NH3+])ncn1 98214032 351685210 /nfs/dbraw/zinc/68/52/10/351685210.db2.gz IXWKGCVXPXFBTG-UHFFFAOYSA-N 1 0 153.185 0.334 50 0 ACAARO CC(C)COc1cc(C[NH3+])ncn1 98213989 351685353 /nfs/dbraw/zinc/68/53/53/351685353.db2.gz YVUTZNJAWDAIRF-UHFFFAOYSA-N 1 0 181.239 0.970 50 0 ACAARO c1cn(C[C@H]2CCC[NH2+]2)nn1 98213676 351685414 /nfs/dbraw/zinc/68/54/14/351685414.db2.gz MJIWVLBPVFCYJB-SSDOTTSWSA-N 1 0 152.201 0.030 50 0 ACAARO C[C@@H]1C[NH2+]C[C@@]2(CCO[C@@H]2C)O1 98210042 351685462 /nfs/dbraw/zinc/68/54/62/351685462.db2.gz VQSCMTULQXPQSY-IWSPIJDZSA-N 1 0 171.240 0.542 50 0 in-vitro ACAARO C[NH+](C)C1CC(O)C1 98210153 351685489 /nfs/dbraw/zinc/68/54/89/351685489.db2.gz 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C[C@@H]1CC[NH2+]C[C@H]1CO 104622039 351714761 /nfs/dbraw/zinc/71/47/61/351714761.db2.gz XKQYEHVFBWMPDC-RQJHMYQMSA-N 1 0 129.203 0.224 50 0 in-vitro ACAARO C[C@H]1CC[NH2+]C[C@H]1CO 104622043 351714800 /nfs/dbraw/zinc/71/48/00/351714800.db2.gz XKQYEHVFBWMPDC-BQBZGAKWSA-N 1 0 129.203 0.224 50 0 in-vitro ACAARO C[C@@H]1CC[C@@H](CO)[NH2+]C1 104604170 351714806 /nfs/dbraw/zinc/71/48/06/351714806.db2.gz VYCVKOAZOFPRAY-RQJHMYQMSA-N 1 0 129.203 0.367 50 0 ACAARO [NH3+][C@H]1CCC=CCC[C@@H]1O 104634143 351714866 /nfs/dbraw/zinc/71/48/66/351714866.db2.gz FVPPTIGGPXYPJA-YUMQZZPRSA-N 1 0 141.214 0.805 50 0 ACAARO CCOc1ccc([C@@H]([NH3+])CO)cn1 104670469 351714949 /nfs/dbraw/zinc/71/49/49/351714949.db2.gz ITEQQVJEKLKGJF-QMMMGPOBSA-N 1 0 182.223 0.472 50 0 ACAARO CC1(C)C[C@H]1C(N)=[NH2+] 104656356 351714955 /nfs/dbraw/zinc/71/49/55/351714955.db2.gz GOZCTJIUMDNFPH-BYPYZUCNSA-N 1 0 112.176 0.968 50 0 ACAARO C[C@@H]1[NH2+]CC[S@@](=O)[C@@H]1C 104709590 351715368 /nfs/dbraw/zinc/71/53/68/351715368.db2.gz JYHRQKWTPCFPJR-MYINAIGISA-N 1 0 147.243 0.115 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@H](CO)C1 107114821 351717381 /nfs/dbraw/zinc/71/73/81/351717381.db2.gz SSKKCWRWVKPDIA-NKWVEPMBSA-N 1 0 129.203 0.224 50 0 ACAARO Oc1ccc2c(c1)OCC[NH2+]C2 107160563 351717889 /nfs/dbraw/zinc/71/78/89/351717889.db2.gz JILNIAMTKRTMFM-UHFFFAOYSA-N 1 0 165.192 0.874 50 0 in-vitro ACAARO O[C@@H]1CC[NH2+][C@@H]1Cc1ccccc1 107165888 351717910 /nfs/dbraw/zinc/71/79/10/351717910.db2.gz FLYGBVQBEQQUPQ-GHMZBOCLSA-N 1 0 177.247 0.952 50 0 ACAARO O[C@H]1CC[NH2+][C@@H]1Cc1ccccc1 107165891 351718270 /nfs/dbraw/zinc/71/82/70/351718270.db2.gz FLYGBVQBEQQUPQ-MNOVXSKESA-N 1 0 177.247 0.952 50 0 ACAARO [NH3+][C@@H]1CCCn2nccc21 107323957 351718777 /nfs/dbraw/zinc/71/87/77/351718777.db2.gz ZQPSTCLDNGDTBH-ZCFIWIBFSA-N 1 0 137.186 0.677 50 0 in-vitro ACAARO [NH3+][C@H]1CCCn2nccc21 107323959 351718955 /nfs/dbraw/zinc/71/89/55/351718955.db2.gz ZQPSTCLDNGDTBH-LURJTMIESA-N 1 0 137.186 0.677 50 0 in-vitro ACAARO C[NH2+]Cc1cccc(=O)[nH]1 107324039 351719116 /nfs/dbraw/zinc/71/91/16/351719116.db2.gz JLBQRCADBDGHON-UHFFFAOYSA-N 1 0 138.170 0.094 50 0 ACAARO C[C@@H]1C[NH2+]CC1(F)F 107263036 351719181 /nfs/dbraw/zinc/71/91/81/351719181.db2.gz RFVCPSBRCPBAFS-SCSAIBSYSA-N 1 0 121.130 0.861 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@H]1F 107263045 351719243 /nfs/dbraw/zinc/71/92/43/351719243.db2.gz HPCFSOFBKLAFII-UHNVWZDZSA-N 1 0 103.140 0.564 50 0 ACAARO C[C@@H]1C[C@@H](F)C[NH2+]1 107263030 351719292 /nfs/dbraw/zinc/71/92/92/351719292.db2.gz VDQWBMJIPFGCSK-RFZPGFLSSA-N 1 0 103.140 0.706 50 0 ACAARO F[C@@H]1C[C@@H]2C[NH2+]CCN2C1 107495601 351720045 /nfs/dbraw/zinc/72/00/45/351720045.db2.gz GEJVEGQYNKOYPG-RNFRBKRXSA-N 1 0 144.193 0.002 50 0 ACAARO C[C@@H]1COCC[C@H]1C[NH3+] 107395960 351720108 /nfs/dbraw/zinc/72/01/08/351720108.db2.gz NJEBROTUBZVEGR-RQJHMYQMSA-N 1 0 129.203 0.618 50 0 in-vitro ACAARO C[C@@H]1COCC[C@@H]1C[NH3+] 107395957 351720131 /nfs/dbraw/zinc/72/01/31/351720131.db2.gz NJEBROTUBZVEGR-RNFRBKRXSA-N 1 0 129.203 0.618 50 0 in-vitro ACAARO c1cn(CC[C@H]2CCCC[NH2+]2)nn1 108293070 351720668 /nfs/dbraw/zinc/72/06/68/351720668.db2.gz UGFTZTLNNZMPOE-SECBINFHSA-N 1 0 180.255 0.810 50 0 ACAARO c1cnn([C@@H]2CCC[NH2+]C2)n1 108282264 351720833 /nfs/dbraw/zinc/72/08/33/351720833.db2.gz KGLMRCGIKAKFCH-SSDOTTSWSA-N 1 0 152.201 0.203 50 0 ACAARO c1cnn([C@H]2CCC[NH2+]C2)n1 108282267 351721008 /nfs/dbraw/zinc/72/10/08/351721008.db2.gz KGLMRCGIKAKFCH-ZETCQYMHSA-N 1 0 152.201 0.203 50 0 ACAARO c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 108293067 351721285 /nfs/dbraw/zinc/72/12/85/351721285.db2.gz UGFTZTLNNZMPOE-VIFPVBQESA-N 1 0 180.255 0.810 50 0 ACAARO O[C@@H]1C[NH2+]CCC[C@@H]1F 110915887 351722265 /nfs/dbraw/zinc/72/22/65/351722265.db2.gz ITQAIPLTHRXFQD-NTSWFWBYSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@@H]1CC[NH2+]CC[C@@H]1F 110915935 351722358 /nfs/dbraw/zinc/72/23/58/351722358.db2.gz TZQHBKPSQPSMGM-NTSWFWBYSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@H]1CC[NH2+]CC[C@@H]1F 110915938 351722363 /nfs/dbraw/zinc/72/23/63/351722363.db2.gz TZQHBKPSQPSMGM-WDSKDSINSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@H]1CC[NH2+]CC[C@H]1F 110915944 351722366 /nfs/dbraw/zinc/72/23/66/351722366.db2.gz TZQHBKPSQPSMGM-RITPCOANSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@H]1C[NH2+]CCC[C@H]1F 110915895 351722391 /nfs/dbraw/zinc/72/23/91/351722391.db2.gz ITQAIPLTHRXFQD-RITPCOANSA-N 1 0 133.166 0.069 50 0 ACAARO O[C@@H]1C[NH2+]CCC[C@H]1F 110915892 351722469 /nfs/dbraw/zinc/72/24/69/351722469.db2.gz ITQAIPLTHRXFQD-PHDIDXHHSA-N 1 0 133.166 0.069 50 0 ACAARO CC(C)C[C@H]([NH3+])C(=O)[C@@]1(C)CO1 113080877 351722832 /nfs/dbraw/zinc/72/28/32/351722832.db2.gz ASROSKVBCYFAHU-IONNQARKSA-N 1 0 171.240 0.718 50 0 in-vitro ACAARO CNC(=O)NC[C@@H]1CCCC[NH2+]1 125166448 351729571 /nfs/dbraw/zinc/72/95/71/351729571.db2.gz ZRWCVQJYYBSQGX-ZETCQYMHSA-N 1 0 171.244 0.058 50 0 in-vitro ACAARO CNC(=O)NC[C@H]1CCCC[NH2+]1 125166649 351730053 /nfs/dbraw/zinc/73/00/53/351730053.db2.gz ZRWCVQJYYBSQGX-SSDOTTSWSA-N 1 0 171.244 0.058 50 0 in-vitro ACAARO NC(=O)c1cccc2c1CC[NH2+]C2 125654658 351730779 /nfs/dbraw/zinc/73/07/79/351730779.db2.gz KYHDUNKFNMWCPU-UHFFFAOYSA-N 1 0 176.219 0.431 50 0 ACAARO COCCOCCOCCCC[NH3+] 125692965 351730824 /nfs/dbraw/zinc/73/08/24/351730824.db2.gz SVCLTBFSNQUZJN-UHFFFAOYSA-N 1 0 191.271 0.405 50 0 ACAARO CC[C@@H](C)c1nc2c(c(=O)[nH]1)C[NH2+]C2 132270018 351736878 /nfs/dbraw/zinc/73/68/78/351736878.db2.gz GSLGIGPJCZWJCL-ZCFIWIBFSA-N 1 0 193.250 0.887 50 0 ACAARO CC[C@H](C)c1nc2c(c(=O)[nH]1)C[NH2+]C2 132270193 351737032 /nfs/dbraw/zinc/73/70/32/351737032.db2.gz GSLGIGPJCZWJCL-LURJTMIESA-N 1 0 193.250 0.887 50 0 ACAARO C[C@@H]1C[NH2+]CC[C@]1(O)C(F)(F)F 138111879 351741952 /nfs/dbraw/zinc/74/19/52/351741952.db2.gz CIJPNUXVMKKYGX-PHDIDXHHSA-N 1 0 183.173 0.909 50 0 ACAARO C[C@@H]1C[NH2+]CC[C@@]1(O)C(F)(F)F 138112082 351742026 /nfs/dbraw/zinc/74/20/26/351742026.db2.gz CIJPNUXVMKKYGX-RITPCOANSA-N 1 0 183.173 0.909 50 0 ACAARO CN1Cc2ccccc2[C@@H]([NH3+])C1=O 138918244 351743575 /nfs/dbraw/zinc/74/35/75/351743575.db2.gz YATNLYZMTPNWHI-SECBINFHSA-N 1 0 176.219 0.658 50 0 ACAARO OC1CC([NH+]2CCCC2)C1 139600341 351744430 /nfs/dbraw/zinc/74/44/30/351744430.db2.gz GVRKCPKHHMMABJ-UHFFFAOYSA-N 1 0 141.214 0.606 50 0 in-vitro ACAARO FCC[C@H]1C[NH2+]CCO1 149994278 351749800 /nfs/dbraw/zinc/74/98/00/351749800.db2.gz XXWWYNJFBRSWTJ-LURJTMIESA-N 1 0 133.166 0.334 50 0 ACAARO FCC[C@@H]1C[NH2+]CCO1 149994075 351749864 /nfs/dbraw/zinc/74/98/64/351749864.db2.gz XXWWYNJFBRSWTJ-ZCFIWIBFSA-N 1 0 133.166 0.334 50 0 ACAARO F[C@@H]1CC[C@@H]2C[NH2+]C[C@H]21 169617577 351770033 /nfs/dbraw/zinc/77/00/33/351770033.db2.gz PKNAKQWUHJAFLA-FSDSQADBSA-N 1 0 129.178 0.954 50 0 ACAARO c1cnn(C2C[C@@H]3CC[C@H](C2)[NH2+]3)n1 169726607 351770557 /nfs/dbraw/zinc/77/05/57/351770557.db2.gz DJVUJLVGHNOJDY-JVHMLUBASA-N 1 0 178.239 0.734 50 0 ACAARO C[C@@H]1[NH2+]CC[S@](=O)[C@H]1C 169721438 351770569 /nfs/dbraw/zinc/77/05/69/351770569.db2.gz JYHRQKWTPCFPJR-WATHFIQWSA-N 1 0 147.243 0.115 50 0 ACAARO C[C@H]1C[NH2+]Cc2ccnn21 169798589 351771138 /nfs/dbraw/zinc/77/11/38/351771138.db2.gz IFXJRUFJNGIPHJ-LURJTMIESA-N 1 0 137.186 0.547 50 0 ACAARO C[C@@H]1C[NH+]=C(n2cccn2)N1 169798789 351771269 /nfs/dbraw/zinc/77/12/69/351771269.db2.gz ONBKIFLMBMJYFA-ZCFIWIBFSA-N 1 0 150.185 0.079 50 0 ACAARO C[C@@H]1C[NH2+]Cc2ccnn21 169798587 351771313 /nfs/dbraw/zinc/77/13/13/351771313.db2.gz IFXJRUFJNGIPHJ-ZCFIWIBFSA-N 1 0 137.186 0.547 50 0 ACAARO C[C@H]1C[NH+]=C(n2cccn2)N1 169798790 351771337 /nfs/dbraw/zinc/77/13/37/351771337.db2.gz ONBKIFLMBMJYFA-LURJTMIESA-N 1 0 150.185 0.079 50 0 ACAARO c1cnc(-n2ncc3c2C[NH2+]C3)nc1 204217681 351783614 /nfs/dbraw/zinc/78/36/14/351783614.db2.gz NDQBGEPALFBIKS-UHFFFAOYSA-N 1 0 187.206 0.266 50 0 ACAARO CCO[C@@H]1CN(CC)C[C@@H]1[NH3+] 204312458 351783685 /nfs/dbraw/zinc/78/36/85/351783685.db2.gz NXWPZLVVLITYTP-JGVFFNPUSA-N 1 0 158.245 0.054 50 0 ACAARO OC[C@@]1(c2ccccc2)CC[NH2+]C1 203916993 351783710 /nfs/dbraw/zinc/78/37/10/351783710.db2.gz 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159.229 0.400 50 0 ACAARO C[C@@H]1C[NH2+]C2(CCC2)CO1 390822192 352153671 /nfs/dbraw/zinc/15/36/71/352153671.db2.gz PKOSNXIRJSEGDW-SSDOTTSWSA-N 1 0 141.214 0.917 50 0 ACAARO C[C@@]12C[NH2+]C[C@@H]1COC2 407986256 352157622 /nfs/dbraw/zinc/15/76/22/352157622.db2.gz TXLAYODJGYCSDO-RQJHMYQMSA-N 1 0 127.187 0.242 50 0 ACAARO C1CS[C@H]2CC[C@@H]2[NH2+]1 407986246 352157636 /nfs/dbraw/zinc/15/76/36/352157636.db2.gz NGCCODDSSJRODG-WDSKDSINSA-N 1 0 129.228 0.854 50 0 ACAARO C[C@]12C[NH2+]C[C@H]1COC2 407986254 352157677 /nfs/dbraw/zinc/15/76/77/352157677.db2.gz TXLAYODJGYCSDO-NKWVEPMBSA-N 1 0 127.187 0.242 50 0 ACAARO C[C@@]12C[NH2+]C[C@H]1COC2 407986253 352157759 /nfs/dbraw/zinc/15/77/59/352157759.db2.gz TXLAYODJGYCSDO-BQBZGAKWSA-N 1 0 127.187 0.242 50 0 ACAARO C[C@]12C[NH2+]C[C@@H]1COC2 407986255 352157906 /nfs/dbraw/zinc/15/79/06/352157906.db2.gz TXLAYODJGYCSDO-RNFRBKRXSA-N 1 0 127.187 0.242 50 0 ACAARO Cn1cc(-c2nccnc2C[NH3+])cn1 409434330 352161983 /nfs/dbraw/zinc/16/19/83/352161983.db2.gz 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352188852 /nfs/dbraw/zinc/18/88/52/352188852.db2.gz SZUYPFGFFGXXJN-BQBZGAKWSA-N 1 0 127.187 0.513 50 0 ACAARO CO[C@@H]1C[N@H+](C)[C@](C)(CO)C1 536948713 352188891 /nfs/dbraw/zinc/18/88/91/352188891.db2.gz LNMFOZBPICUCEW-YUMQZZPRSA-N 1 0 159.229 0.088 50 0 ACAARO CCC1(N2CCOCC2)CC[NH2+]CC1 536948675 352188918 /nfs/dbraw/zinc/18/89/18/352188918.db2.gz CLBWRNQMYIDDSU-UHFFFAOYSA-N 1 0 198.310 0.851 50 0 ACAARO CO[C@H]1C[N@H+](C)[C@](C)(CO)C1 536948712 352188956 /nfs/dbraw/zinc/18/89/56/352188956.db2.gz LNMFOZBPICUCEW-SFYZADRCSA-N 1 0 159.229 0.088 50 0 ACAARO CO[C@@H]1C[N@H+](C)[C@@](C)(CO)C1 536948711 352188959 /nfs/dbraw/zinc/18/89/59/352188959.db2.gz LNMFOZBPICUCEW-JGVFFNPUSA-N 1 0 159.229 0.088 50 0 ACAARO CO[C@H]1C[N@H+](C)[C@@](C)(CO)C1 536948706 352188962 /nfs/dbraw/zinc/18/89/62/352188962.db2.gz LNMFOZBPICUCEW-HTQZYQBOSA-N 1 0 159.229 0.088 50 0 ACAARO [NH3+][C@H]1CO[C@@H](C2CC2)C1 536948672 352189030 /nfs/dbraw/zinc/18/90/30/352189030.db2.gz SZUYPFGFFGXXJN-RNFRBKRXSA-N 1 0 127.187 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575478847 352297395 /nfs/dbraw/zinc/29/73/95/352297395.db2.gz GMWOVOCFIFMBEF-UHFFFAOYSA-N 1 0 127.187 0.680 50 0 ACAARO FC1(F)CC(N2CC[NH2+]CC2)C1 575484202 352325632 /nfs/dbraw/zinc/32/56/32/352325632.db2.gz XSZMGPVGSMJLNN-UHFFFAOYSA-N 1 0 176.210 0.689 50 0 ACAARO CN(C)CC12CC(C[NH2+]1)C2 575489371 352353090 /nfs/dbraw/zinc/35/30/90/352353090.db2.gz CPVATKXOEFTSOY-UHFFFAOYSA-N 1 0 140.230 0.300 50 0 ACAARO [NH3+]C1CC(Cn2ccnc2)C1 575505115 352429697 /nfs/dbraw/zinc/42/96/97/352429697.db2.gz JRMWEBHEMFJASH-UHFFFAOYSA-N 1 0 151.213 0.620 50 0 ACAARO [NH3+]C[C@@H]1CCN1C1CCOCC1 575514368 352483401 /nfs/dbraw/zinc/48/34/01/352483401.db2.gz JQAOPTRHKRAYKE-VIFPVBQESA-N 1 0 170.256 0.198 50 0 ACAARO [NH3+]C[C@H]1CCN1C1CCOCC1 575514367 352483634 /nfs/dbraw/zinc/48/36/34/352483634.db2.gz JQAOPTRHKRAYKE-SECBINFHSA-N 1 0 170.256 0.198 50 0 ACAARO CC(C)(C)[NH2+][C@H]1CC[C@H]1O 575537073 352588057 /nfs/dbraw/zinc/58/80/57/352588057.db2.gz FTQAUUNMMOYCSX-NKWVEPMBSA-N 1 0 143.230 0.898 50 0 ACAARO CC(C)(C)[NH2+][C@@H]1CC[C@@H]1O 575537075 352588129 /nfs/dbraw/zinc/58/81/29/352588129.db2.gz FTQAUUNMMOYCSX-RQJHMYQMSA-N 1 0 143.230 0.898 50 0 ACAARO CC(C)(C)[NH2+][C@@H]1CC[C@H]1O 575537074 352588137 /nfs/dbraw/zinc/58/81/37/352588137.db2.gz FTQAUUNMMOYCSX-RNFRBKRXSA-N 1 0 143.230 0.898 50 0 ACAARO CC(C)(C)[NH2+][C@H]1CC[C@@H]1O 575537072 352588411 /nfs/dbraw/zinc/58/84/11/352588411.db2.gz FTQAUUNMMOYCSX-BQBZGAKWSA-N 1 0 143.230 0.898 50 0 ACAARO CC[C@H]1[NH2+]CC[C@H]1N1CCOCC1 575548273 352630581 /nfs/dbraw/zinc/63/05/81/352630581.db2.gz CLLNYPFUSOTJHW-NXEZZACHSA-N 1 0 184.283 0.459 50 0 ACAARO CC[C@@H]1[NH2+]CC[C@@H]1N1CCOCC1 575548275 352630816 /nfs/dbraw/zinc/63/08/16/352630816.db2.gz CLLNYPFUSOTJHW-UWVGGRQHSA-N 1 0 184.283 0.459 50 0 ACAARO CC[C@H]1[NH2+]CC[C@@H]1N1CCOCC1 575548279 352630821 /nfs/dbraw/zinc/63/08/21/352630821.db2.gz CLLNYPFUSOTJHW-ZJUUUORDSA-N 1 0 184.283 0.459 50 0 ACAARO CC[C@@H]1[NH2+]CC[C@H]1N1CCOCC1 575548276 352630836 /nfs/dbraw/zinc/63/08/36/352630836.db2.gz CLLNYPFUSOTJHW-VHSXEESVSA-N 1 0 184.283 0.459 50 0 ACAARO OC[C@H]1CCC[N@@H+]1CC1CC1 5816960 371619669 /nfs/dbraw/zinc/61/96/69/371619669.db2.gz VVPQQGSILHUAQR-SECBINFHSA-N 1 0 155.241 0.853 50 0 in-vitro ACAARO c1nc2c([nH]1)C[NH2+]CC2 5954995 371620855 /nfs/dbraw/zinc/62/08/55/371620855.db2.gz URMVFILWXLQJIP-UHFFFAOYSA-N 1 0 123.159 0.055 50 0 biogenic,in-vitro ACAARO O[C@H](c1ccncc1)[C@@H]1C[NH2+]CCO1 16125297 371622247 /nfs/dbraw/zinc/62/22/47/371622247.db2.gz JHEONTXISSRZOK-VHSXEESVSA-N 1 0 194.234 0.103 50 0 ACAARO O[C@@H](c1ccncc1)[C@@H]1C[NH2+]CCO1 16125300 371622259 /nfs/dbraw/zinc/62/22/59/371622259.db2.gz JHEONTXISSRZOK-UWVGGRQHSA-N 1 0 194.234 0.103 50 0 ACAARO O[C@H](c1ccncc1)[C@H]1C[NH2+]CCO1 16125303 371622386 /nfs/dbraw/zinc/62/23/86/371622386.db2.gz JHEONTXISSRZOK-NXEZZACHSA-N 1 0 194.234 0.103 50 0 ACAARO O[C@@H](c1ccncc1)[C@H]1C[NH2+]CCO1 16125306 371622579 /nfs/dbraw/zinc/62/25/79/371622579.db2.gz JHEONTXISSRZOK-ZJUUUORDSA-N 1 0 194.234 0.103 50 0 ACAARO C[C@H]1CN(CCC(N)=[NH2+])C[C@@H](C)O1 19428259 371626464 /nfs/dbraw/zinc/62/64/64/371626464.db2.gz QMZHYAVIOCGEBN-OCAPTIKFSA-N 1 0 185.271 0.422 50 0 in-vitro ACAARO C[NH2+]CC(=O)N(C)Cc1ccccc1 19427859 371626507 /nfs/dbraw/zinc/62/65/07/371626507.db2.gz PZGATTGQXYLTOH-UHFFFAOYSA-N 1 0 192.262 0.864 50 0 ACAARO C[C@@H]1CN(CCC(N)=[NH2+])C[C@@H](C)O1 19428257 371626959 /nfs/dbraw/zinc/62/69/59/371626959.db2.gz QMZHYAVIOCGEBN-HTQZYQBOSA-N 1 0 185.271 0.422 50 0 in-vitro ACAARO C[NH2+]CC(=O)NCCc1ccccc1 19428653 371627098 /nfs/dbraw/zinc/62/70/98/371627098.db2.gz LOBCMVIKNIPCGD-UHFFFAOYSA-N 1 0 192.262 0.565 50 0 ACAARO c1nnc([C@@H]2CCC[NH2+]C2)o1 19676455 371628029 /nfs/dbraw/zinc/62/80/29/371628029.db2.gz CUZDRVAZVXAEMK-ZCFIWIBFSA-N 1 0 153.185 0.537 50 0 in-vitro ACAARO c1nnc([C@H]2CCC[NH2+]C2)o1 19676453 371628095 /nfs/dbraw/zinc/62/80/95/371628095.db2.gz CUZDRVAZVXAEMK-LURJTMIESA-N 1 0 153.185 0.537 50 0 in-vitro ACAARO CC(C)CCN1C[C@@H](C[NH3+])OC1=O 19669023 371628150 /nfs/dbraw/zinc/62/81/50/371628150.db2.gz BFZZNHLHOTYTCT-MRVPVSSYSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO CC(C)C(=O)N1CCC[NH2+]CC1 19679920 371628392 /nfs/dbraw/zinc/62/83/92/371628392.db2.gz ZHQHWBADDPLOQE-UHFFFAOYSA-N 1 0 170.256 0.464 50 0 in-vitro ACAARO CC(C)([NH3+])C(=O)NC[C@H]1CCCO1 19672353 371628424 /nfs/dbraw/zinc/62/84/24/371628424.db2.gz OCEKQQPTHJYYGJ-SSDOTTSWSA-N 1 0 186.255 0.019 50 0 ACAARO CC[C@@H](C)NC(=O)C(C)(C)[NH3+] 19672329 371628465 /nfs/dbraw/zinc/62/84/65/371628465.db2.gz OGJMBCDNWHNTDD-ZCFIWIBFSA-N 1 0 158.245 0.638 50 0 ACAARO CC(C)CN1C[C@H](C[NH3+])OC1=O 19668853 371628538 /nfs/dbraw/zinc/62/85/38/371628538.db2.gz ZSNRSMGAAAJMNG-ZETCQYMHSA-N 1 0 172.228 0.422 50 0 in-vitro ACAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C 19518786 371628571 /nfs/dbraw/zinc/62/85/71/371628571.db2.gz BBURRWZXFUJMSZ-RNFRBKRXSA-N 1 0 158.245 0.448 50 0 ACAARO C[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 19672506 371628984 /nfs/dbraw/zinc/62/89/84/371628984.db2.gz BFDGVIUAGUGXNN-MRVPVSSYSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCCC1 19518969 371629052 /nfs/dbraw/zinc/62/90/52/371629052.db2.gz SZPYGVGYDZCXEX-SECBINFHSA-N 1 0 184.283 0.982 50 0 ACAARO CC(C)CN1C[C@@H](C[NH3+])OC1=O 19668852 371629172 /nfs/dbraw/zinc/62/91/72/371629172.db2.gz ZSNRSMGAAAJMNG-SSDOTTSWSA-N 1 0 172.228 0.422 50 0 in-vitro ACAARO CC(C)([NH3+])C(=O)NCc1ccccn1 19672398 371629201 /nfs/dbraw/zinc/62/92/01/371629201.db2.gz JLEVNSUHOUNYEY-UHFFFAOYSA-N 1 0 193.250 0.435 50 0 ACAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C 19518787 371629211 /nfs/dbraw/zinc/62/92/11/371629211.db2.gz BBURRWZXFUJMSZ-NKWVEPMBSA-N 1 0 158.245 0.448 50 0 ACAARO CC(C)CCN1C[C@H](C[NH3+])OC1=O 19669025 371629226 /nfs/dbraw/zinc/62/92/26/371629226.db2.gz BFZZNHLHOTYTCT-QMMMGPOBSA-N 1 0 186.255 0.812 50 0 in-vitro ACAARO CC(C)CNC(=O)C(C)(C)[NH3+] 19672327 371629260 /nfs/dbraw/zinc/62/92/60/371629260.db2.gz HABIHZOOGFOTNP-UHFFFAOYSA-N 1 0 158.245 0.496 50 0 ACAARO CC(C)([NH3+])C(=O)NC1CC1 19672321 371629287 /nfs/dbraw/zinc/62/92/87/371629287.db2.gz MOJRWXLHTKPAMM-UHFFFAOYSA-N 1 0 142.202 0.002 50 0 ACAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C 19518788 371629335 /nfs/dbraw/zinc/62/93/35/371629335.db2.gz BBURRWZXFUJMSZ-RQJHMYQMSA-N 1 0 158.245 0.448 50 0 ACAARO CC(C)([NH3+])C(=O)N1CCCC1 19672333 371629342 /nfs/dbraw/zinc/62/93/42/371629342.db2.gz XKQJONBYPWBBMO-UHFFFAOYSA-N 1 0 156.229 0.346 50 0 in-vitro ACAARO c1nc2sc3c(n2n1)CC[NH2+]C3 19624570 371629351 /nfs/dbraw/zinc/62/93/51/371629351.db2.gz YDUHPSMTUHAWKP-UHFFFAOYSA-N 1 0 180.236 0.437 50 0 ACAARO CC(C)([NH3+])C(=O)N1CCCCC1 19672337 371629362 /nfs/dbraw/zinc/62/93/62/371629362.db2.gz TWWFTDMAGXBWPA-UHFFFAOYSA-N 1 0 170.256 0.736 50 0 in-vitro ACAARO C[C@@H]1OCC[NH2+][C@@H]1C 32302233 371631914 /nfs/dbraw/zinc/63/19/14/371631914.db2.gz LTJFPCBECZHXNS-RITPCOANSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@@H]1[NH2+]CCO[C@H]1C 32302232 371631925 /nfs/dbraw/zinc/63/19/25/371631925.db2.gz LTJFPCBECZHXNS-WDSKDSINSA-N 1 0 115.176 0.383 50 0 in-vitro ACAARO C[C@@H]1C[C@@H](C)C[NH+](CCN)C1 32445485 371631947 /nfs/dbraw/zinc/63/19/47/371631947.db2.gz GQSWLZPKSPRYJI-RKDXNWHRSA-N 1 0 156.273 0.923 50 0 in-vitro ACAARO c1nc2c(s1)C[NH2+]CC2 36140939 371632810 /nfs/dbraw/zinc/63/28/10/371632810.db2.gz QSLDIPUHQBHQGY-UHFFFAOYSA-N 1 0 140.211 0.789 50 0 in-vitro ACAARO CCOc1ccnc(C[NH3+])c1 51523765 371635537 /nfs/dbraw/zinc/63/55/37/371635537.db2.gz MPZHJNYBFICGNF-UHFFFAOYSA-N 1 0 152.197 0.939 50 0 ACAARO CCOc1cccc(C[NH3+])n1 51523762 371635923 /nfs/dbraw/zinc/63/59/23/371635923.db2.gz AJTLJJIEMQBEQX-UHFFFAOYSA-N 1 0 152.197 0.939 50 0 ACAARO C[C@@H]1C[C@H]([NH3+])CCO1 59622641 371638205 /nfs/dbraw/zinc/63/82/05/371638205.db2.gz QPXXGRHIYAAMDU-PHDIDXHHSA-N 1 0 115.176 0.513 50 0 in-vitro ACAARO C[C@@H]1[NH2+]CCC[C@@H]1O 59751216 371638907 /nfs/dbraw/zinc/63/89/07/371638907.db2.gz YAMQDSQNPDUGGS-WDSKDSINSA-N 1 0 115.176 0.119 50 0 ACAARO C[C@@H]1[NH2+]CCC[C@H]1O 59751214 371639196 /nfs/dbraw/zinc/63/91/96/371639196.db2.gz YAMQDSQNPDUGGS-NTSWFWBYSA-N 1 0 115.176 0.119 50 0 ACAARO OCCC[N@@H+]1CCCOCC1 59950950 371640138 /nfs/dbraw/zinc/64/01/38/371640138.db2.gz JEZVOSAHGZYHNO-UHFFFAOYSA-N 1 0 159.229 0.091 50 0 ACAARO C[C@@H]1C[NH2+]C[C@H](C(F)(F)F)O1 75767003 371648733 /nfs/dbraw/zinc/64/87/33/371648733.db2.gz BPVZRPRBZRIGRK-RFZPGFLSSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO C[C@@H]1C[NH2+]C[C@@H](C(F)(F)F)O1 75767006 371648403 /nfs/dbraw/zinc/64/84/03/371648403.db2.gz BPVZRPRBZRIGRK-UHNVWZDZSA-N 1 0 169.146 0.926 50 0 in-vitro ACAARO CC(C)CN1C[C@H]2C[NH2+]CCN2C1=O 85807331 371651275 /nfs/dbraw/zinc/65/12/75/371651275.db2.gz CBTKXNMMDXHZRI-SECBINFHSA-N 1 0 197.282 0.352 50 0 ACAARO CC(C)(C[NH3+])[C@@]1(O)CCCOC1 85920985 371652076 /nfs/dbraw/zinc/65/20/76/371652076.db2.gz SINSWHPDTBKQCH-SECBINFHSA-N 1 0 173.256 0.513 50 0 ACAARO CC(C)CN1C[C@@H]2C[NH2+]CCN2C1=O 85807327 371652310 /nfs/dbraw/zinc/65/23/10/371652310.db2.gz CBTKXNMMDXHZRI-VIFPVBQESA-N 1 0 197.282 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/nfs/dbraw/zinc/81/90/15/371819015.db2.gz JWEMEXACFDBXRZ-UHFFFAOYSA-N 1 0 194.238 0.505 50 0 ACAARO C[C@H](CCCC(C)(C)O)[NH2+]CCO 1814627 375285516 /nfs/dbraw/zinc/28/55/16/375285516.db2.gz HXHKBWXEXDBQRY-SECBINFHSA-N 1 0 189.299 0.898 50 0 ACAARO CC[C@@H](C)[N@@H+]1CC[C@H](N)C1 36091772 375295567 /nfs/dbraw/zinc/29/55/67/375295567.db2.gz UYZDDPIZRFTWMM-SFYZADRCSA-N 1 0 142.246 0.818 50 0 ACAARO CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 62851642 375312344 /nfs/dbraw/zinc/31/23/44/375312344.db2.gz USEBETUYVXLDPL-JTQLQIEISA-N 1 0 184.283 0.902 50 0 ACAARO CCCNC(=O)[C@]1(C)CCC[NH2+]C1 62851641 375312443 /nfs/dbraw/zinc/31/24/43/375312443.db2.gz USEBETUYVXLDPL-SNVBAGLBSA-N 1 0 184.283 0.902 50 0 ACAARO c1ccc(-n2ncc3c2C[NH2+]C3)nc1 63772334 375315629 /nfs/dbraw/zinc/31/56/29/375315629.db2.gz NDUMGJWEMFRZJP-UHFFFAOYSA-N 1 0 186.218 0.871 50 0 ACAARO Nc1cc(CC[NH3+])ccn1 69942468 375317711 /nfs/dbraw/zinc/31/77/11/375317711.db2.gz GOTXDZNTMYPRFN-UHFFFAOYSA-N 1 0 137.186 0.165 50 0 ACAARO Cc1noc(-c2ccc[nH+]c2NN)n1 70451568 375333246 /nfs/dbraw/zinc/33/32/46/375333246.db2.gz LJCJRZBOZVWTBJ-UHFFFAOYSA-N 1 0 191.194 0.726 50 0 ACAARO Cc1noc(-c2cc[nH+]c(NN)c2)n1 70451554 375333108 /nfs/dbraw/zinc/33/31/08/375333108.db2.gz QQKSDEKEXVLYKT-UHFFFAOYSA-N 1 0 191.194 0.726 50 0 ACAARO [NH3+]CC(=O)C1CCCC1 78724764 375349545 /nfs/dbraw/zinc/34/95/45/375349545.db2.gz OFEWIJHAUCILQY-UHFFFAOYSA-N 1 0 127.187 0.704 50 0 ACAARO CC[C@H](C[NH3+])C(=O)OC 78724897 375349658 /nfs/dbraw/zinc/34/96/58/375349658.db2.gz OITQFQBCFPRRFS-RXMQYKEDSA-N 1 0 131.175 0.144 50 0 ACAARO [NH3+]CC1(CCO)CCC1 78903802 375351062 /nfs/dbraw/zinc/35/10/62/375351062.db2.gz WSWCSURNOQMPRC-UHFFFAOYSA-N 1 0 129.203 0.498 50 0 in-vitro ACAARO COC(=O)CC1([NH3+])CCCC1 78885546 375351247 /nfs/dbraw/zinc/35/12/47/375351247.db2.gz PVGZHBMQHIXPSF-UHFFFAOYSA-N 1 0 157.213 0.821 50 0 in-vitro ACAARO Cn1cncc1C[NH2+]C1CC1 82393773 375359125 /nfs/dbraw/zinc/35/91/25/375359125.db2.gz WUVGIYMNOOSWPH-UHFFFAOYSA-N 1 0 151.213 0.672 50 0 ACAARO CC(C)[NH2+]Cc1cncn1C 82393830 375359157 /nfs/dbraw/zinc/35/91/57/375359157.db2.gz TWUJALPVPMABIA-UHFFFAOYSA-N 1 0 153.229 0.918 50 0 ACAARO CC[C@H]1C[NH2+]CCN1CC(F)F 82476478 375362812 /nfs/dbraw/zinc/36/28/12/375362812.db2.gz MMVYAFZHVLPBHD-ZETCQYMHSA-N 1 0 178.226 0.935 50 0 in-vitro ACAARO CC[C@@H]1C[NH2+]CCN1CC(F)F 82476477 375363552 /nfs/dbraw/zinc/36/35/52/375363552.db2.gz MMVYAFZHVLPBHD-SSDOTTSWSA-N 1 0 178.226 0.935 50 0 in-vitro ACAARO NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 83643632 375378143 /nfs/dbraw/zinc/37/81/43/375378143.db2.gz CMVGQEYEMIILTQ-SECBINFHSA-N 1 0 176.219 0.359 50 0 ACAARO NC(=O)[C@H]1C[NH2+]Cc2ccccc21 83643631 375379021 /nfs/dbraw/zinc/37/90/21/375379021.db2.gz CMVGQEYEMIILTQ-VIFPVBQESA-N 1 0 176.219 0.359 50 0 ACAARO CC(C)([NH3+])C(=O)Nc1ccc(F)cn1 83853163 375385150 /nfs/dbraw/zinc/38/51/50/375385150.db2.gz UJJGCBQXVIKSIP-UHFFFAOYSA-N 1 0 197.213 0.897 50 0 ACAARO CCSc1nc(N)c(N)c(N)[nH+]1 206745438 375414247 /nfs/dbraw/zinc/41/42/47/375414247.db2.gz 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/nfs/dbraw/zinc/42/95/80/375429580.db2.gz SGCJTGWPNRLDKA-UHFFFAOYSA-N 1 0 179.145 0.898 50 0 ACAARO C[C@@H]1C[C@@H]([NH3+])[C@@H](C)O1 307600241 375472439 /nfs/dbraw/zinc/47/24/39/375472439.db2.gz QWPJBFFXUSOVHB-HSUXUTPPSA-N 1 0 115.176 0.511 50 0 in-vitro ACAARO C[C@@H]1C[C@H]([NH3+])[C@@H](C)O1 307600374 375472448 /nfs/dbraw/zinc/47/24/48/375472448.db2.gz QWPJBFFXUSOVHB-PBXRRBTRSA-N 1 0 115.176 0.511 50 0 in-vitro ACAARO C[C@@H]1O[C@H](C)C[C@H]1[NH3+] 307600242 375472457 /nfs/dbraw/zinc/47/24/57/375472457.db2.gz QWPJBFFXUSOVHB-NGJCXOISSA-N 1 0 115.176 0.511 50 0 in-vitro ACAARO C[C@@H]1O[C@H](C)C[C@@H]1[NH3+] 307600376 375472466 /nfs/dbraw/zinc/47/24/66/375472466.db2.gz QWPJBFFXUSOVHB-SRQIZXRXSA-N 1 0 115.176 0.511 50 0 in-vitro ACAARO [NH3+]C[C@]12OCCC[C@H]1C2(F)F 407985842 375537685 /nfs/dbraw/zinc/53/76/85/375537685.db2.gz NTMISQSYYKJABA-RITPCOANSA-N 1 0 163.167 0.759 50 0 ACAARO COC(=O)[C@@](C)([NH3+])CCF 407986188 375537892 /nfs/dbraw/zinc/53/78/92/375537892.db2.gz LICKWEUMIIMSEP-LURJTMIESA-N 1 0 149.165 0.236 50 0 ACAARO C[C@@]1(C[NH3+])CC1(F)F 407985728 375537929 /nfs/dbraw/zinc/53/79/29/375537929.db2.gz KDDIGODUIPLHRM-BYPYZUCNSA-N 1 0 121.130 0.990 50 0 ACAARO C1CS[C@H]2CC[C@H]2[NH2+]1 407986245 375537988 /nfs/dbraw/zinc/53/79/88/375537988.db2.gz NGCCODDSSJRODG-RITPCOANSA-N 1 0 129.228 0.854 50 0 ACAARO C[C@]1(C[NH3+])CC1(F)F 407985735 375537997 /nfs/dbraw/zinc/53/79/97/375537997.db2.gz KDDIGODUIPLHRM-SCSAIBSYSA-N 1 0 121.130 0.990 50 0 ACAARO FCC12CC(C[NH2+]1)C2 407985758 375538132 /nfs/dbraw/zinc/53/81/32/375538132.db2.gz KQYYXSBTHZHTLO-UHFFFAOYSA-N 1 0 115.151 0.708 50 0 ACAARO C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 521399040 375538742 /nfs/dbraw/zinc/53/87/42/375538742.db2.gz CWZJMWXUQISDJG-OLQVQODUSA-N 1 0 143.186 0.157 50 0 ACAARO c1c[nH]c(C23CC(C[NH2+]2)C3)n1 521398758 375538796 /nfs/dbraw/zinc/53/87/96/375538796.db2.gz FNBDVFPVBSAAGM-UHFFFAOYSA-N 1 0 149.197 0.618 50 0 ACAARO CC1(C)OC[C@H]2C[C@]21[NH3+] 521398934 375538839 /nfs/dbraw/zinc/53/88/39/375538839.db2.gz RYJSLMAXQCGDMN-VDTYLAMSSA-N 1 0 127.187 0.513 50 0 ACAARO C[C@@]1(C(F)F)C[NH2+]CCO1 521399191 375538915 /nfs/dbraw/zinc/53/89/15/375538915.db2.gz NTHFBJKSRHIHEB-LURJTMIESA-N 1 0 151.156 0.630 50 0 in-vitro ACAARO CC1(C)OC[C@@H]2C[C@@]21[NH3+] 521398931 375539077 /nfs/dbraw/zinc/53/90/77/375539077.db2.gz RYJSLMAXQCGDMN-CAHLUQPWSA-N 1 0 127.187 0.513 50 0 ACAARO C[C@]1(C(F)F)C[NH2+]CCO1 521399192 375539200 /nfs/dbraw/zinc/53/92/00/375539200.db2.gz NTHFBJKSRHIHEB-ZCFIWIBFSA-N 1 0 151.156 0.630 50 0 in-vitro ACAARO Cc1nnc(C23CC(C[NH2+]2)C3)o1 521399190 375539306 /nfs/dbraw/zinc/53/93/06/375539306.db2.gz NOAWNIBBMPGQEN-UHFFFAOYSA-N 1 0 165.196 0.587 50 0 ACAARO C1OC[C@@H]2[C@@H]1[C@H]1C[NH2+]C[C@H]12 521399604 375539996 /nfs/dbraw/zinc/53/99/96/375539996.db2.gz LIIAQGIQXMCMMB-YWIQKCBGSA-N 1 0 139.198 0.098 50 0 ACAARO CN(C)C[C@@H]1COC2(CCCC2)C[NH2+]1 521399310 375540112 /nfs/dbraw/zinc/54/01/12/375540112.db2.gz DJIONMZLWQOICG-SNVBAGLBSA-N 1 0 198.310 0.849 50 0 ACAARO CN(C)C[C@H]1COC2(CCCC2)C[NH2+]1 521399309 375540178 /nfs/dbraw/zinc/54/01/78/375540178.db2.gz DJIONMZLWQOICG-JTQLQIEISA-N 1 0 198.310 0.849 50 0 ACAARO CC1(C)CC[C@@H](CO)[NH2+]C1 521399514 375540203 /nfs/dbraw/zinc/54/02/03/375540203.db2.gz PSHLNAXSXMAMNM-ZETCQYMHSA-N 1 0 143.230 0.757 50 0 ACAARO CC1(C)CC[C@H](CO)[NH2+]C1 521399506 375540401 /nfs/dbraw/zinc/54/04/01/375540401.db2.gz PSHLNAXSXMAMNM-SSDOTTSWSA-N 1 0 143.230 0.757 50 0 ACAARO C1OC[C@H]2[C@@H]1[C@@H]1C[NH2+]C[C@H]12 521399603 375540624 /nfs/dbraw/zinc/54/06/24/375540624.db2.gz LIIAQGIQXMCMMB-XUTVFYLZSA-N 1 0 139.198 0.098 50 0 ACAARO Cn1cncc1C1=CC[NH2+]CC1 521400099 375541468 /nfs/dbraw/zinc/54/14/68/375541468.db2.gz AQFOTFWJCKOKIF-UHFFFAOYSA-N 1 0 163.224 0.797 50 0 ACAARO OC[C@@H]1CCC2(CCOCC2)C[NH2+]1 521399771 375541593 /nfs/dbraw/zinc/54/15/93/375541593.db2.gz KUXXUJMUFVDZEH-VIFPVBQESA-N 1 0 185.267 0.528 50 0 ACAARO OC[C@H]1CCC2(CCOCC2)C[NH2+]1 521399766 375542082 /nfs/dbraw/zinc/54/20/82/375542082.db2.gz KUXXUJMUFVDZEH-SECBINFHSA-N 1 0 185.267 0.528 50 0 ACAARO O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)C1 585672773 375557616 /nfs/dbraw/zinc/55/76/16/375557616.db2.gz ASGHGNPFSGZYME-LNFKQOIKSA-N 1 0 196.294 0.051 50 0 ACAARO O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 585672771 375557709 /nfs/dbraw/zinc/55/77/09/375557709.db2.gz ASGHGNPFSGZYME-CHWFTXMASA-N 1 0 196.294 0.051 50 0 ACAARO O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)C1 585672774 375558043 /nfs/dbraw/zinc/55/80/43/375558043.db2.gz ASGHGNPFSGZYME-ZRUFSTJUSA-N 1 0 196.294 0.051 50 0 ACAARO O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]32)C1 585672772 375558179 /nfs/dbraw/zinc/55/81/79/375558179.db2.gz ASGHGNPFSGZYME-GWOFURMSSA-N 1 0 196.294 0.051 50 0 ACAARO CS[C@@H](C)CC(=O)N[C@H](C)C[NH3+] 592965242 375562573 /nfs/dbraw/zinc/56/25/73/375562573.db2.gz UUOJZFMAOIXRNC-RQJHMYQMSA-N 1 0 190.312 0.591 50 0 ACAARO CS[C@H](C)CC(=O)N[C@H](C)C[NH3+] 592965240 375562636 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CC(C)CC[N@H+](CC(N)=O)C1CC1 48366644 409369971 /nfs/dbraw/zinc/36/99/71/409369971.db2.gz FBPSIHYJEPSCNC-UHFFFAOYSA-N 1 0 184.283 0.982 50 0 ACAARO Cc1cc(OC(C)C)nc(NN)[nH+]1 58825431 409393577 /nfs/dbraw/zinc/39/35/77/409393577.db2.gz PAFHDARZLXJYOD-UHFFFAOYSA-N 1 0 182.227 0.858 50 0 ACAARO C[NH2+]CC1CCN(C(=O)C2CC2)CC1 63159588 409406276 /nfs/dbraw/zinc/40/62/76/409406276.db2.gz INHGNRFPCMDZRO-UHFFFAOYSA-N 1 0 196.294 0.854 50 0 ACAARO CC(C)NC(=O)NCC1([NH3+])CCCC1 656474096 409435374 /nfs/dbraw/zinc/43/53/74/409435374.db2.gz OPBSIRYWKCDFDX-UHFFFAOYSA-N 1 0 199.298 0.966 50 0 ACAARO CCNC(=O)NCC1([NH3+])CCCC1 656474582 409435643 /nfs/dbraw/zinc/43/56/43/409435643.db2.gz ZGAFLJPCMNQLDQ-UHFFFAOYSA-N 1 0 185.271 0.577 50 0 ACAARO Cc1ccc([C@@H]2C[NH2+]CCN2)cc1N 104509392 409453682 /nfs/dbraw/zinc/45/36/82/409453682.db2.gz GPLYDROLROUWQR-NSHDSACASA-N 1 0 191.278 0.811 50 0 ACAARO [NH3+][C@H](CO)c1cccc(F)n1 104450615 409453725 /nfs/dbraw/zinc/45/37/25/409453725.db2.gz 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225407208 630771690 /nfs/dbraw/zinc/77/16/90/630771690.db2.gz HTHJIEXTGLULEZ-NKWVEPMBSA-N 1 0 172.208 0.944 50 0 ACAARO Cn1nc(C2CC2)nc1C[NH3+] 54698346 630826330 /nfs/dbraw/zinc/82/63/30/630826330.db2.gz FNMXKIOFMCGDMH-UHFFFAOYSA-N 1 0 152.201 0.151 50 0 ACAARO CN(C)[C@@H](O)c1ccc(C[NH3+])cn1 263639217 630836923 /nfs/dbraw/zinc/83/69/23/630836923.db2.gz BQFSATUDZMOFEU-VIFPVBQESA-N 1 0 181.239 0.093 50 0 in-vitro ACAARO CN(C)[C@H](O)c1ccc(C[NH3+])cn1 263639216 630837695 /nfs/dbraw/zinc/83/76/95/630837695.db2.gz BQFSATUDZMOFEU-SECBINFHSA-N 1 0 181.239 0.093 50 0 in-vitro ACAARO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[NH2+]1 306409949 524570085 /nfs/dbraw/zinc/57/00/85/524570085.db2.gz KLCGGFRWOUAWKN-FSDSQADBSA-N 1 0 156.229 0.248 50 0 ACAARO C[C@@H]1[NH2+][C@H](C)CC[C@H]1C(N)=O 306409948 524571177 /nfs/dbraw/zinc/57/11/77/524571177.db2.gz KLCGGFRWOUAWKN-DSYKOEDSSA-N 1 0 156.229 0.248 50 0 ACAARO CC(=O)[C@]1(O)C[C@@H](C)[N@@H+](C)C[C@@H]1C 16034520 630904265 /nfs/dbraw/zinc/90/42/65/630904265.db2.gz VARYFHQLQGDWFX-XKSSXDPKSA-N 1 0 185.267 0.667 50 0 ACAARO CC1(C)CCO[C@@H]1C[NH3+] 757210853 630933172 /nfs/dbraw/zinc/93/31/72/630933172.db2.gz KYXXIUMAYDSTNC-ZCFIWIBFSA-N 1 0 129.203 0.760 50 0 ACAARO CC1(C)CCO[C@H]1C[NH3+] 757210852 630933691 /nfs/dbraw/zinc/93/36/91/630933691.db2.gz KYXXIUMAYDSTNC-LURJTMIESA-N 1 0 129.203 0.760 50 0 ACAARO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[NH2+]1 306409950 524645211 /nfs/dbraw/zinc/64/52/11/524645211.db2.gz KLCGGFRWOUAWKN-QYNIQEEDSA-N 1 0 156.229 0.248 50 0 ACAARO C[C@@H]1[NH2+][C@H](C)CC[C@@H]1C(N)=O 306409951 524645962 /nfs/dbraw/zinc/64/59/62/524645962.db2.gz KLCGGFRWOUAWKN-VQVTYTSYSA-N 1 0 156.229 0.248 50 0 ACAARO C[C@H]1C[NH2+]CC2(CCC2)O1 83471683 524691919 /nfs/dbraw/zinc/69/19/19/524691919.db2.gz GVFWFJBFIIIDFW-ZETCQYMHSA-N 1 0 141.214 0.917 50 0 ACAARO C[C@H]1COC2(CCC2)C[NH2+]1 108281174 524703857 /nfs/dbraw/zinc/70/38/57/524703857.db2.gz VCJVTYOVJIOUIP-ZETCQYMHSA-N 1 0 141.214 0.917 50 0 ACAARO C[C@H]1C[C@@H]([NH3+])c2ncnn21 306604847 524789722 /nfs/dbraw/zinc/78/97/22/524789722.db2.gz FIWJTQJPZSXNQQ-CRCLSJGQSA-N 1 0 138.174 0.243 50 0 ACAARO C1=CC[C@]2(CCOC2)[NH2+]C1 950756214 631156067 /nfs/dbraw/zinc/15/60/67/631156067.db2.gz ZSQCVVZXLKLGHN-MRVPVSSYSA-N 1 0 139.198 0.695 50 0 ACAARO [NH3+]C[C@@H](C(F)F)n1cccn1 950756060 631156075 /nfs/dbraw/zinc/15/60/75/631156075.db2.gz HRMDZCFDOYJNHY-YFKPBYRVSA-N 1 0 161.155 0.648 50 0 ACAARO [NH3+]C[C@H](C(F)F)n1cccn1 950756059 631156576 /nfs/dbraw/zinc/15/65/76/631156576.db2.gz HRMDZCFDOYJNHY-RXMQYKEDSA-N 1 0 161.155 0.648 50 0 ACAARO C1=CC[C@@]2(CCOC2)[NH2+]C1 950756215 631156602 /nfs/dbraw/zinc/15/66/02/631156602.db2.gz ZSQCVVZXLKLGHN-QMMMGPOBSA-N 1 0 139.198 0.695 50 0 ACAARO C[C@H]([NH3+])C(=O)c1cccc(O)c1 82403593 631157369 /nfs/dbraw/zinc/15/73/69/631157369.db2.gz OIHAQYRJHHWTGP-LURJTMIESA-N 1 0 165.192 0.922 50 0 ACAARO COC(=O)C1(C[NH3+])CC=CC1 83740479 631158742 /nfs/dbraw/zinc/15/87/42/631158742.db2.gz VKSFVNHEFAUPAB-UHFFFAOYSA-N 1 0 155.197 0.455 50 0 ACAARO CC(C)(C)C[C@@H]([NH3+])C1(O)COC1 958527748 631163542 /nfs/dbraw/zinc/16/35/42/631163542.db2.gz GHDSJUXCGKAGNJ-SSDOTTSWSA-N 1 0 173.256 0.511 50 0 ACAARO CC[C@@H]([NH3+])[C@@]1(O)COC(C)(C)C1 958528172 631163732 /nfs/dbraw/zinc/16/37/32/631163732.db2.gz MZTYQBJTODPINY-APPZFPTMSA-N 1 0 173.256 0.654 50 0 ACAARO CC(C)[C@H]([NH3+])[C@@]1(O)COC(C)(C)C1 958527981 631163451 /nfs/dbraw/zinc/16/34/51/631163451.db2.gz KCOYGBSHHOVLQW-WPRPVWTQSA-N 1 0 187.283 0.900 50 0 ACAARO CC(C)C[C@@H]([NH3+])C1(O)CCOCC1 958527812 631163281 /nfs/dbraw/zinc/16/32/81/631163281.db2.gz FBNBKKPZJXBLIB-SECBINFHSA-N 1 0 187.283 0.901 50 0 ACAARO [NH3+][C@@H](c1ccsc1)[C@]1(O)CCOC1 958527666 631163836 /nfs/dbraw/zinc/16/38/36/631163836.db2.gz CSUKPXGISKQULG-IUCAKERBSA-N 1 0 199.275 0.899 50 0 ACAARO [NH3+][C@@H](C1CCCC1)[C@]1(O)CCOC1 958527826 631162434 /nfs/dbraw/zinc/16/24/34/631162434.db2.gz FUARUJXZHQRHTE-UWVGGRQHSA-N 1 0 185.267 0.655 50 0 ACAARO CC[C@H]([NH3+])[C@@]1(O)CCCOC1 958527527 631162451 /nfs/dbraw/zinc/16/24/51/631162451.db2.gz BRWJNEAYMPTWRM-JGVFFNPUSA-N 1 0 159.229 0.265 50 0 ACAARO Cn1nccc1[C@@H]([NH3+])C1(O)CCC1 958527832 631162478 /nfs/dbraw/zinc/16/24/78/631162478.db2.gz FZWVWOJJJXMGOZ-MRVPVSSYSA-N 1 0 181.239 0.335 50 0 ACAARO CC[C@@H]([NH3+])[C@@]1(O)CCSC1 958528881 631162506 /nfs/dbraw/zinc/16/25/06/631162506.db2.gz XOXHPKCRWYBHNZ-RNFRBKRXSA-N 1 0 161.270 0.592 50 0 ACAARO COC[C@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528474 631162585 /nfs/dbraw/zinc/16/25/85/631162585.db2.gz UFEMGVSLVCUDFL-WCBMZHEXSA-N 1 0 187.283 0.901 50 0 ACAARO [NH3+][C@H](C1CCCC1)[C@@]1(O)CCOC1 958527825 631162595 /nfs/dbraw/zinc/16/25/95/631162595.db2.gz FUARUJXZHQRHTE-NXEZZACHSA-N 1 0 185.267 0.655 50 0 ACAARO CC[C@H]([NH3+])[C@]1(O)CCCOC1 958527529 631162676 /nfs/dbraw/zinc/16/26/76/631162676.db2.gz BRWJNEAYMPTWRM-YUMQZZPRSA-N 1 0 159.229 0.265 50 0 ACAARO [NH3+][C@@H](C1CCCC1)[C@@]1(O)CCOC1 958527828 631162692 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/nfs/dbraw/zinc/16/32/72/631163272.db2.gz JRRXOXKPDHEZMQ-ZJUUUORDSA-N 1 0 187.283 0.901 50 0 ACAARO CC1(C)OCC[C@@]1(O)[C@H]([NH3+])C1CC1 958527968 631163277 /nfs/dbraw/zinc/16/32/77/631163277.db2.gz JVOGMLAVYOABQR-PSASIEDQSA-N 1 0 185.267 0.654 50 0 ACAARO [NH3+][C@@H](CC1CC1)[C@@]1(O)CCCOC1 958528245 631163292 /nfs/dbraw/zinc/16/32/92/631163292.db2.gz PCMAXLHZFUODEY-VHSXEESVSA-N 1 0 185.267 0.655 50 0 ACAARO CC(C)(C)[C@H]([NH3+])[C@]1(O)CCOC1 958528146 631163298 /nfs/dbraw/zinc/16/32/98/631163298.db2.gz KAGDKKGXTBAZMX-CBAPKCEASA-N 1 0 173.256 0.511 50 0 ACAARO [NH3+][C@@H](C1CC1)C1(O)CCSCC1 958528264 631163312 /nfs/dbraw/zinc/16/33/12/631163312.db2.gz LVPLUDPCEBYGQQ-QMMMGPOBSA-N 1 0 187.308 0.982 50 0 ACAARO [NH3+][C@H](c1ccsc1)[C@@]1(O)CCOC1 958527667 631163332 /nfs/dbraw/zinc/16/33/32/631163332.db2.gz CSUKPXGISKQULG-RKDXNWHRSA-N 1 0 199.275 0.899 50 0 ACAARO CC(C)(C)[C@H]([NH3+])C1(O)CCOCC1 958527892 631163341 /nfs/dbraw/zinc/16/33/41/631163341.db2.gz IGYMNHGHANWMBN-QMMMGPOBSA-N 1 0 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/nfs/dbraw/zinc/33/75/75/527337575.db2.gz DLALBAQYIUEZAQ-WDSKDSINSA-N 1 0 182.189 0.876 50 0 ACAARO [NH3+][C@@H]1CC12CCC2 82707699 527340793 /nfs/dbraw/zinc/34/07/93/527340793.db2.gz KUEWHZLUSNCJQO-RXMQYKEDSA-N 1 0 97.161 0.888 50 0 ACAARO [NH3+][C@@H]1CCCN(c2cccnc2)C1=O 70061967 527348980 /nfs/dbraw/zinc/34/89/80/527348980.db2.gz CAAGMHVNSPQROG-SECBINFHSA-N 1 0 191.234 0.536 50 0 in-vitro ACAARO [NH3+][C@@H]1Cc2ccncc2C1 60285009 527377876 /nfs/dbraw/zinc/37/78/76/527377876.db2.gz XJVKOWFKLZEZKH-MRVPVSSYSA-N 1 0 134.182 0.508 50 0 ACAARO [NH3+][C@H](C1CCOCC1)C1(CO)CCC1 259564811 527382146 /nfs/dbraw/zinc/38/21/46/527382146.db2.gz VHDSGWBCAVRIRN-SNVBAGLBSA-N 1 0 199.294 0.903 50 0 ACAARO N[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F 238608407 527390866 /nfs/dbraw/zinc/39/08/66/527390866.db2.gz DLALBAQYIUEZAQ-PHDIDXHHSA-N 1 0 182.189 0.876 50 0 ACAARO N[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F 238614055 527391181 /nfs/dbraw/zinc/39/11/81/527391181.db2.gz DLALBAQYIUEZAQ-NTSWFWBYSA-N 1 0 182.189 0.876 50 0 ACAARO [NH3+][C@H]1CCCC(F)(F)[C@@H]1O 116981895 527394010 /nfs/dbraw/zinc/39/40/10/527394010.db2.gz YELVGYMNGIHCKI-CRCLSJGQSA-N 1 0 151.156 0.494 50 0 ACAARO [NH3+][C@H]1CC12CCC2 82707698 527394241 /nfs/dbraw/zinc/39/42/41/527394241.db2.gz KUEWHZLUSNCJQO-YFKPBYRVSA-N 1 0 97.161 0.888 50 0 ACAARO [NH3+][C@H]1CCCN(c2cccnc2)C1=O 70061966 527402238 /nfs/dbraw/zinc/40/22/38/527402238.db2.gz CAAGMHVNSPQROG-VIFPVBQESA-N 1 0 191.234 0.536 50 0 in-vitro ACAARO [NH3+][C@H]1Cc2ccncc2C1 60285008 527420650 /nfs/dbraw/zinc/42/06/50/527420650.db2.gz XJVKOWFKLZEZKH-QMMMGPOBSA-N 1 0 134.182 0.508 50 0 ACAARO Nc1cccc(N2CCOCC2)[nH+]1 72192460 527518005 /nfs/dbraw/zinc/51/80/05/527518005.db2.gz LEZFYYWHNXICNC-UHFFFAOYSA-N 1 0 179.223 0.500 50 0 ACAARO Nc1cc[nH+]cc1N1CCOCC1 84445428 527535580 /nfs/dbraw/zinc/53/55/80/527535580.db2.gz HWABPMNYOPPSHZ-UHFFFAOYSA-N 1 0 179.223 0.500 50 0 in-vitro ACAARO OCc1cccc(N2CC[NH2+]CC2)c1 83341805 527636784 /nfs/dbraw/zinc/63/67/84/527636784.db2.gz QGADJOGOJXPTOT-UHFFFAOYSA-N 1 0 192.262 0.589 50 0 ACAARO FC(F)(F)OCCN1CC[NH2+]CC1 84177438 527675031 /nfs/dbraw/zinc/67/50/31/527675031.db2.gz HOTSQGXHRPAFMY-UHFFFAOYSA-N 1 0 198.188 0.428 50 0 ACAARO CC[NH2+][C@H]1COC[C@@H]1OCC 307738458 528425252 /nfs/dbraw/zinc/42/52/52/528425252.db2.gz IATFNJLKKDVWQI-YUMQZZPRSA-N 1 0 159.229 0.400 50 0 ACAARO